################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19254 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zpd/ebi/EBI-55996.csh' _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' 1 $sample_1 solution 19254 1 2 '3D 1H-15N NOESY' 1 $sample_1 solution 19254 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 6.72675 0 . . . . . . . 2 ALA H . 19254 1 2 . 1 1 2 2 ALA N N 15 129.55102 0 . . . . . . . 2 ALA N . 19254 1 3 . 1 1 3 3 CYS H H 1 7.79390 0 . . . . . . . 3 CYS H . 19254 1 4 . 1 1 3 3 CYS N N 15 112.24906 0 . . . . . . . 3 CYS N . 19254 1 5 . 1 1 4 4 LYS H H 1 10.01731 0 . . . . . . . 4 LYS H . 19254 1 6 . 1 1 4 4 LYS N N 15 121.47945 0 . . . . . . . 4 LYS N . 19254 1 7 . 1 1 5 5 THR H H 1 8.80318 0 . . . . . . . 5 THR H . 19254 1 8 . 1 1 5 5 THR N N 15 109.53710 0 . . . . . . . 5 THR N . 19254 1 9 . 1 1 6 6 ALA H H 1 8.66805 0 . . . . . . . 6 ALA H . 19254 1 10 . 1 1 6 6 ALA N N 15 123.49563 0 . . . . . . . 6 ALA N . 19254 1 11 . 1 1 7 7 ASN H H 1 8.12819 0 . . . . . . . 7 ASN H . 19254 1 12 . 1 1 7 7 ASN HD21 H 1 7.09795 0 . . . . . . . 7 ASN HD21 . 19254 1 13 . 1 1 7 7 ASN HD22 H 1 7.83071 0 . . . . . . . 7 ASN HD22 . 19254 1 14 . 1 1 7 7 ASN N N 15 112.91246 0 . . . . . . . 7 ASN N . 19254 1 15 . 1 1 7 7 ASN ND2 N 15 112.49515 0 . . . . . . . 7 ASN ND2 . 19254 1 16 . 1 1 8 8 GLY H H 1 8.08212 0 . . . . . . . 8 GLY H . 19254 1 17 . 1 1 8 8 GLY N N 15 107.78406 0 . . . . . . . 8 GLY N . 19254 1 18 . 1 1 9 9 THR H H 1 7.76840 0 . . . . . . . 9 THR H . 19254 1 19 . 1 1 9 9 THR N N 15 118.29281 0 . . . . . . . 9 THR N . 19254 1 20 . 1 1 10 10 ALA H H 1 8.71829 0 . . . . . . . 10 ALA H . 19254 1 21 . 1 1 10 10 ALA N N 15 127.84147 0 . . . . . . . 10 ALA N . 19254 1 22 . 1 1 11 11 ILE H H 1 8.47735 0 . . . . . . . 11 ILE H . 19254 1 23 . 1 1 11 11 ILE N N 15 120.39858 0 . . . . . . . 11 ILE N . 19254 1 24 . 1 1 13 13 ILE H H 1 7.76242 0 . . . . . . . 13 ILE H . 19254 1 25 . 1 1 13 13 ILE N N 15 116.30523 0 . . . . . . . 13 ILE N . 19254 1 26 . 1 1 14 14 GLY H H 1 8.27253 0 . . . . . . . 14 GLY H . 19254 1 27 . 1 1 14 14 GLY N N 15 116.28567 0 . . . . . . . 14 GLY N . 19254 1 28 . 1 1 15 15 GLY H H 1 7.62580 0 . . . . . . . 15 GLY H . 19254 1 29 . 1 1 15 15 GLY N N 15 108.85820 0 . . . . . . . 15 GLY N . 19254 1 30 . 1 1 16 16 GLY H H 1 7.59343 0 . . . . . . . 16 GLY H . 19254 1 31 . 1 1 16 16 GLY N N 15 104.22186 0 . . . . . . . 16 GLY N . 19254 1 32 . 1 1 17 17 SER H H 1 8.33949 0 . . . . . . . 17 SER H . 19254 1 33 . 1 1 17 17 SER N N 15 115.59443 0 . . . . . . . 17 SER N . 19254 1 34 . 1 1 18 18 ALA H H 1 8.54808 0 . . . . . . . 18 ALA H . 19254 1 35 . 1 1 18 18 ALA N N 15 122.31717 0 . . . . . . . 18 ALA N . 19254 1 36 . 1 1 19 19 ASN H H 1 8.67153 0 . . . . . . . 19 ASN H . 19254 1 37 . 1 1 19 19 ASN HD21 H 1 6.95132 0 . . . . . . . 19 ASN HD21 . 19254 1 38 . 1 1 19 19 ASN HD22 H 1 7.39617 0 . . . . . . . 19 ASN HD22 . 19254 1 39 . 1 1 19 19 ASN N N 15 119.09728 0 . . . . . . . 19 ASN N . 19254 1 40 . 1 1 19 19 ASN ND2 N 15 112.41569 0 . . . . . . . 19 ASN ND2 . 19254 1 41 . 1 1 20 20 VAL H H 1 9.49909 0 . . . . . . . 20 VAL H . 19254 1 42 . 1 1 20 20 VAL N N 15 124.17321 0 . . . . . . . 20 VAL N . 19254 1 43 . 1 1 21 21 TYR H H 1 8.84878 0 . . . . . . . 21 TYR H . 19254 1 44 . 1 1 21 21 TYR N N 15 128.43481 0 . . . . . . . 21 TYR N . 19254 1 45 . 1 1 22 22 VAL H H 1 8.73715 0 . . . . . . . 22 VAL H . 19254 1 46 . 1 1 22 22 VAL N N 15 116.12323 0 . . . . . . . 22 VAL N . 19254 1 47 . 1 1 23 23 ASN H H 1 8.89896 0 . . . . . . . 23 ASN H . 19254 1 48 . 1 1 23 23 ASN HD21 H 1 7.09430 0 . . . . . . . 23 ASN HD21 . 19254 1 49 . 1 1 23 23 ASN HD22 H 1 7.65106 0 . . . . . . . 23 ASN HD22 . 19254 1 50 . 1 1 23 23 ASN N N 15 124.25760 0 . . . . . . . 23 ASN N . 19254 1 51 . 1 1 23 23 ASN ND2 N 15 114.46751 0 . . . . . . . 23 ASN ND2 . 19254 1 52 . 1 1 24 24 LEU H H 1 9.09496 0 . . . . . . . 24 LEU H . 19254 1 53 . 1 1 24 24 LEU N N 15 124.58135 0 . . . . . . . 24 LEU N . 19254 1 54 . 1 1 25 25 ALA H H 1 7.90067 0 . . . . . . . 25 ALA H . 19254 1 55 . 1 1 25 25 ALA N N 15 128.92936 0 . . . . . . . 25 ALA N . 19254 1 56 . 1 1 27 27 VAL H H 1 7.34738 0 . . . . . . . 27 VAL H . 19254 1 57 . 1 1 27 27 VAL N N 15 118.12124 0 . . . . . . . 27 VAL N . 19254 1 58 . 1 1 28 28 VAL H H 1 8.62849 0 . . . . . . . 28 VAL H . 19254 1 59 . 1 1 28 28 VAL N N 15 126.56877 0 . . . . . . . 28 VAL N . 19254 1 60 . 1 1 29 29 ASN H H 1 8.10306 0 . . . . . . . 29 ASN H . 19254 1 61 . 1 1 29 29 ASN HD21 H 1 6.82567 0 . . . . . . . 29 ASN HD21 . 19254 1 62 . 1 1 29 29 ASN HD22 H 1 7.32658 0 . . . . . . . 29 ASN HD22 . 19254 1 63 . 1 1 29 29 ASN N N 15 121.60292 0 . . . . . . . 29 ASN N . 19254 1 64 . 1 1 29 29 ASN ND2 N 15 111.05696 0 . . . . . . . 29 ASN ND2 . 19254 1 65 . 1 1 30 30 VAL H H 1 8.61862 0 . . . . . . . 30 VAL H . 19254 1 66 . 1 1 30 30 VAL N N 15 119.47779 0 . . . . . . . 30 VAL N . 19254 1 67 . 1 1 31 31 GLY H H 1 8.79128 0 . . . . . . . 31 GLY H . 19254 1 68 . 1 1 31 31 GLY N N 15 115.24651 0 . . . . . . . 31 GLY N . 19254 1 69 . 1 1 32 32 GLN H H 1 8.11655 0 . . . . . . . 32 GLN H . 19254 1 70 . 1 1 32 32 GLN HE21 H 1 6.92257 0 . . . . . . . 32 GLN HE21 . 19254 1 71 . 1 1 32 32 GLN HE22 H 1 7.65743 0 . . . . . . . 32 GLN HE22 . 19254 1 72 . 1 1 32 32 GLN N N 15 119.99495 0 . . . . . . . 32 GLN N . 19254 1 73 . 1 1 32 32 GLN NE2 N 15 112.70102 0 . . . . . . . 32 GLN NE2 . 19254 1 74 . 1 1 33 33 ASN H H 1 8.51340 0 . . . . . . . 33 ASN H . 19254 1 75 . 1 1 33 33 ASN HD21 H 1 6.89062 0 . . . . . . . 33 ASN HD21 . 19254 1 76 . 1 1 33 33 ASN HD22 H 1 7.46992 0 . . . . . . . 33 ASN HD22 . 19254 1 77 . 1 1 33 33 ASN N N 15 116.76852 0 . . . . . . . 33 ASN N . 19254 1 78 . 1 1 33 33 ASN ND2 N 15 111.69581 0 . . . . . . . 33 ASN ND2 . 19254 1 79 . 1 1 34 34 LEU H H 1 9.83780 0 . . . . . . . 34 LEU H . 19254 1 80 . 1 1 34 34 LEU N N 15 126.42075 0 . . . . . . . 34 LEU N . 19254 1 81 . 1 1 35 35 VAL H H 1 8.62799 0 . . . . . . . 35 VAL H . 19254 1 82 . 1 1 35 35 VAL N N 15 127.52760 0 . . . . . . . 35 VAL N . 19254 1 83 . 1 1 36 36 VAL H H 1 8.94085 0 . . . . . . . 36 VAL H . 19254 1 84 . 1 1 36 36 VAL N N 15 129.17984 0 . . . . . . . 36 VAL N . 19254 1 85 . 1 1 37 37 ASP H H 1 8.98073 0 . . . . . . . 37 ASP H . 19254 1 86 . 1 1 37 37 ASP N N 15 126.53692 0 . . . . . . . 37 ASP N . 19254 1 87 . 1 1 38 38 LEU H H 1 8.50509 0 . . . . . . . 38 LEU H . 19254 1 88 . 1 1 38 38 LEU N N 15 125.36540 0 . . . . . . . 38 LEU N . 19254 1 89 . 1 1 39 39 SER H H 1 8.71952 0 . . . . . . . 39 SER H . 19254 1 90 . 1 1 39 39 SER N N 15 120.31867 0 . . . . . . . 39 SER N . 19254 1 91 . 1 1 40 40 THR H H 1 6.66159 0 . . . . . . . 40 THR H . 19254 1 92 . 1 1 40 40 THR N N 15 105.60599 0 . . . . . . . 40 THR N . 19254 1 93 . 1 1 41 41 GLN H H 1 7.58530 0 . . . . . . . 41 GLN H . 19254 1 94 . 1 1 41 41 GLN HE21 H 1 6.80809 0 . . . . . . . 41 GLN HE21 . 19254 1 95 . 1 1 41 41 GLN HE22 H 1 7.47859 0 . . . . . . . 41 GLN HE22 . 19254 1 96 . 1 1 41 41 GLN N N 15 117.31673 0 . . . . . . . 41 GLN N . 19254 1 97 . 1 1 41 41 GLN NE2 N 15 112.32923 0 . . . . . . . 41 GLN NE2 . 19254 1 98 . 1 1 42 42 ILE H H 1 7.19861 0 . . . . . . . 42 ILE H . 19254 1 99 . 1 1 42 42 ILE N N 15 118.06001 0 . . . . . . . 42 ILE N . 19254 1 100 . 1 1 43 43 PHE H H 1 8.55566 0 . . . . . . . 43 PHE H . 19254 1 101 . 1 1 43 43 PHE N N 15 123.44902 0 . . . . . . . 43 PHE N . 19254 1 102 . 1 1 44 44 CYS H H 1 9.21756 0 . . . . . . . 44 CYS H . 19254 1 103 . 1 1 44 44 CYS N N 15 118.10247 0 . . . . . . . 44 CYS N . 19254 1 104 . 1 1 45 45 HIS H H 1 7.42411 0 . . . . . . . 45 HIS H . 19254 1 105 . 1 1 45 45 HIS N N 15 112.69739 0 . . . . . . . 45 HIS N . 19254 1 106 . 1 1 46 46 ASN H H 1 7.78523 0 . . . . . . . 46 ASN H . 19254 1 107 . 1 1 46 46 ASN N N 15 118.73702 0 . . . . . . . 46 ASN N . 19254 1 108 . 1 1 47 47 ASP H H 1 9.42453 0 . . . . . . . 47 ASP H . 19254 1 109 . 1 1 47 47 ASP N N 15 123.88724 0 . . . . . . . 47 ASP N . 19254 1 110 . 1 1 48 48 ALA H H 1 9.88928 0 . . . . . . . 48 ALA H . 19254 1 111 . 1 1 48 48 ALA N N 15 124.30316 0 . . . . . . . 48 ALA N . 19254 1 112 . 1 1 50 50 GLU H H 1 9.00215 0 . . . . . . . 50 GLU H . 19254 1 113 . 1 1 50 50 GLU N N 15 118.95185 0 . . . . . . . 50 GLU N . 19254 1 114 . 1 1 51 51 THR H H 1 7.60711 0 . . . . . . . 51 THR H . 19254 1 115 . 1 1 51 51 THR N N 15 106.47418 0 . . . . . . . 51 THR N . 19254 1 116 . 1 1 52 52 ILE H H 1 8.41499 0.00824 . . . . . . . 52 ILE H . 19254 1 117 . 1 1 52 52 ILE N N 15 122.97538 0.00728 . . . . . . . 52 ILE N . 19254 1 118 . 1 1 53 53 THR H H 1 8.46453 0 . . . . . . . 53 THR H . 19254 1 119 . 1 1 53 53 THR N N 15 123.80841 0 . . . . . . . 53 THR N . 19254 1 120 . 1 1 54 54 ASP H H 1 6.84686 0 . . . . . . . 54 ASP H . 19254 1 121 . 1 1 54 54 ASP N N 15 124.37107 0 . . . . . . . 54 ASP N . 19254 1 122 . 1 1 55 55 TYR H H 1 8.64182 0.00338 . . . . . . . 55 TYR H . 19254 1 123 . 1 1 55 55 TYR N N 15 121.25942 0.03680 . . . . . . . 55 TYR N . 19254 1 124 . 1 1 56 56 VAL H H 1 9.25935 0 . . . . . . . 56 VAL H . 19254 1 125 . 1 1 56 56 VAL N N 15 121.47371 0 . . . . . . . 56 VAL N . 19254 1 126 . 1 1 57 57 THR H H 1 9.64564 0 . . . . . . . 57 THR H . 19254 1 127 . 1 1 57 57 THR N N 15 123.65212 0 . . . . . . . 57 THR N . 19254 1 128 . 1 1 58 58 LEU H H 1 7.42380 0 . . . . . . . 58 LEU H . 19254 1 129 . 1 1 58 58 LEU N N 15 120.38492 0 . . . . . . . 58 LEU N . 19254 1 130 . 1 1 59 59 GLN H H 1 9.21656 0 . . . . . . . 59 GLN H . 19254 1 131 . 1 1 59 59 GLN HE21 H 1 6.59354 0 . . . . . . . 59 GLN HE21 . 19254 1 132 . 1 1 59 59 GLN HE22 H 1 7.22308 0 . . . . . . . 59 GLN HE22 . 19254 1 133 . 1 1 59 59 GLN N N 15 130.94001 0 . . . . . . . 59 GLN N . 19254 1 134 . 1 1 59 59 GLN NE2 N 15 108.62127 0 . . . . . . . 59 GLN NE2 . 19254 1 135 . 1 1 60 60 ARG H H 1 7.12996 0 . . . . . . . 60 ARG H . 19254 1 136 . 1 1 60 60 ARG HE H 1 7.13714 0 . . . . . . . 60 ARG HE . 19254 1 137 . 1 1 60 60 ARG N N 15 112.70820 0 . . . . . . . 60 ARG N . 19254 1 138 . 1 1 60 60 ARG NE N 15 84.33444 0 . . . . . . . 60 ARG NE . 19254 1 139 . 1 1 61 61 GLY H H 1 9.31419 0 . . . . . . . 61 GLY H . 19254 1 140 . 1 1 61 61 GLY N N 15 112.70062 0 . . . . . . . 61 GLY N . 19254 1 141 . 1 1 62 62 SER H H 1 9.15504 0 . . . . . . . 62 SER H . 19254 1 142 . 1 1 62 62 SER N N 15 122.31910 0 . . . . . . . 62 SER N . 19254 1 143 . 1 1 63 63 ALA H H 1 8.12545 0 . . . . . . . 63 ALA H . 19254 1 144 . 1 1 63 63 ALA N N 15 125.90309 0 . . . . . . . 63 ALA N . 19254 1 145 . 1 1 64 64 TYR H H 1 7.64045 0 . . . . . . . 64 TYR H . 19254 1 146 . 1 1 64 64 TYR N N 15 116.13553 0 . . . . . . . 64 TYR N . 19254 1 147 . 1 1 65 65 GLY H H 1 8.93962 0 . . . . . . . 65 GLY H . 19254 1 148 . 1 1 65 65 GLY N N 15 108.39936 0 . . . . . . . 65 GLY N . 19254 1 149 . 1 1 66 66 GLY H H 1 9.64479 0 . . . . . . . 66 GLY H . 19254 1 150 . 1 1 66 66 GLY N N 15 114.64713 0 . . . . . . . 66 GLY N . 19254 1 151 . 1 1 67 67 VAL H H 1 7.66892 0 . . . . . . . 67 VAL H . 19254 1 152 . 1 1 67 67 VAL N N 15 119.71390 0 . . . . . . . 67 VAL N . 19254 1 153 . 1 1 68 68 LEU H H 1 6.57313 0 . . . . . . . 68 LEU H . 19254 1 154 . 1 1 68 68 LEU N N 15 118.77115 0 . . . . . . . 68 LEU N . 19254 1 155 . 1 1 69 69 SER H H 1 7.88211 0 . . . . . . . 69 SER H . 19254 1 156 . 1 1 69 69 SER N N 15 109.30434 0 . . . . . . . 69 SER N . 19254 1 157 . 1 1 70 70 ASN H H 1 8.10547 0 . . . . . . . 70 ASN H . 19254 1 158 . 1 1 70 70 ASN HD21 H 1 7.33928 0 . . . . . . . 70 ASN HD21 . 19254 1 159 . 1 1 70 70 ASN HD22 H 1 7.89919 0 . . . . . . . 70 ASN HD22 . 19254 1 160 . 1 1 70 70 ASN N N 15 114.27093 0 . . . . . . . 70 ASN N . 19254 1 161 . 1 1 70 70 ASN ND2 N 15 116.97080 0 . . . . . . . 70 ASN ND2 . 19254 1 162 . 1 1 71 71 PHE H H 1 7.86793 0 . . . . . . . 71 PHE H . 19254 1 163 . 1 1 71 71 PHE N N 15 116.99563 0 . . . . . . . 71 PHE N . 19254 1 164 . 1 1 72 72 SER H H 1 9.19566 0 . . . . . . . 72 SER H . 19254 1 165 . 1 1 72 72 SER N N 15 115.36688 0 . . . . . . . 72 SER N . 19254 1 166 . 1 1 73 73 GLY H H 1 8.93463 0 . . . . . . . 73 GLY H . 19254 1 167 . 1 1 73 73 GLY N N 15 109.68365 0 . . . . . . . 73 GLY N . 19254 1 168 . 1 1 74 74 THR H H 1 8.69480 0 . . . . . . . 74 THR H . 19254 1 169 . 1 1 74 74 THR N N 15 111.86074 0 . . . . . . . 74 THR N . 19254 1 170 . 1 1 75 75 VAL H H 1 9.57498 0 . . . . . . . 75 VAL H . 19254 1 171 . 1 1 75 75 VAL N N 15 119.75318 0 . . . . . . . 75 VAL N . 19254 1 172 . 1 1 76 76 LYS H H 1 9.48374 0 . . . . . . . 76 LYS H . 19254 1 173 . 1 1 76 76 LYS N N 15 128.25656 0 . . . . . . . 76 LYS N . 19254 1 174 . 1 1 77 77 TYR H H 1 9.36052 0 . . . . . . . 77 TYR H . 19254 1 175 . 1 1 77 77 TYR N N 15 125.55995 0 . . . . . . . 77 TYR N . 19254 1 176 . 1 1 78 78 SER H H 1 8.87141 0 . . . . . . . 78 SER H . 19254 1 177 . 1 1 78 78 SER N N 15 125.31728 0 . . . . . . . 78 SER N . 19254 1 178 . 1 1 79 79 GLY H H 1 8.72177 0 . . . . . . . 79 GLY H . 19254 1 179 . 1 1 79 79 GLY N N 15 105.22046 0 . . . . . . . 79 GLY N . 19254 1 180 . 1 1 80 80 SER H H 1 7.50326 0 . . . . . . . 80 SER H . 19254 1 181 . 1 1 80 80 SER N N 15 117.19923 0 . . . . . . . 80 SER N . 19254 1 182 . 1 1 81 81 SER H H 1 8.30643 0 . . . . . . . 81 SER H . 19254 1 183 . 1 1 81 81 SER N N 15 118.02933 0 . . . . . . . 81 SER N . 19254 1 184 . 1 1 82 82 TYR H H 1 9.21535 0 . . . . . . . 82 TYR H . 19254 1 185 . 1 1 82 82 TYR N N 15 123.76452 0 . . . . . . . 82 TYR N . 19254 1 186 . 1 1 84 84 PHE H H 1 7.50369 0 . . . . . . . 84 PHE H . 19254 1 187 . 1 1 84 84 PHE N N 15 119.39808 0 . . . . . . . 84 PHE N . 19254 1 188 . 1 1 86 86 THR H H 1 8.34254 0 . . . . . . . 86 THR H . 19254 1 189 . 1 1 86 86 THR N N 15 113.67125 0 . . . . . . . 86 THR N . 19254 1 190 . 1 1 87 87 THR H H 1 8.77847 0 . . . . . . . 87 THR H . 19254 1 191 . 1 1 87 87 THR N N 15 110.27300 0 . . . . . . . 87 THR N . 19254 1 192 . 1 1 88 88 SER H H 1 7.68867 0 . . . . . . . 88 SER H . 19254 1 193 . 1 1 88 88 SER N N 15 116.25114 0 . . . . . . . 88 SER N . 19254 1 194 . 1 1 89 89 GLU H H 1 8.40548 0 . . . . . . . 89 GLU H . 19254 1 195 . 1 1 89 89 GLU N N 15 124.55261 0 . . . . . . . 89 GLU N . 19254 1 196 . 1 1 90 90 THR H H 1 7.56053 0 . . . . . . . 90 THR H . 19254 1 197 . 1 1 90 90 THR N N 15 116.99307 0 . . . . . . . 90 THR N . 19254 1 198 . 1 1 92 92 ARG H H 1 8.20401 0 . . . . . . . 92 ARG H . 19254 1 199 . 1 1 92 92 ARG HE H 1 6.88276 0 . . . . . . . 92 ARG HE . 19254 1 200 . 1 1 92 92 ARG N N 15 117.52330 0 . . . . . . . 92 ARG N . 19254 1 201 . 1 1 92 92 ARG NE N 15 83.60225 0 . . . . . . . 92 ARG NE . 19254 1 202 . 1 1 93 93 VAL H H 1 9.23568 0 . . . . . . . 93 VAL H . 19254 1 203 . 1 1 93 93 VAL N N 15 121.21695 0 . . . . . . . 93 VAL N . 19254 1 204 . 1 1 94 94 VAL H H 1 8.47735 0 . . . . . . . 94 VAL H . 19254 1 205 . 1 1 94 94 VAL N N 15 125.33790 0 . . . . . . . 94 VAL N . 19254 1 206 . 1 1 95 95 TYR H H 1 9.14305 0 . . . . . . . 95 TYR H . 19254 1 207 . 1 1 95 95 TYR N N 15 126.41740 0 . . . . . . . 95 TYR N . 19254 1 208 . 1 1 96 96 ASN H H 1 9.15367 0 . . . . . . . 96 ASN H . 19254 1 209 . 1 1 96 96 ASN HD21 H 1 6.86182 0 . . . . . . . 96 ASN HD21 . 19254 1 210 . 1 1 96 96 ASN HD22 H 1 7.62100 0 . . . . . . . 96 ASN HD22 . 19254 1 211 . 1 1 96 96 ASN N N 15 124.30448 0 . . . . . . . 96 ASN N . 19254 1 212 . 1 1 96 96 ASN ND2 N 15 110.45875 0 . . . . . . . 96 ASN ND2 . 19254 1 213 . 1 1 97 97 SER H H 1 7.40635 0 . . . . . . . 97 SER H . 19254 1 214 . 1 1 97 97 SER N N 15 109.65279 0 . . . . . . . 97 SER N . 19254 1 215 . 1 1 98 98 ARG H H 1 9.42436 0 . . . . . . . 98 ARG H . 19254 1 216 . 1 1 98 98 ARG N N 15 128.88217 0 . . . . . . . 98 ARG N . 19254 1 217 . 1 1 99 99 THR H H 1 8.31773 0 . . . . . . . 99 THR H . 19254 1 218 . 1 1 99 99 THR N N 15 116.79467 0 . . . . . . . 99 THR N . 19254 1 219 . 1 1 100 100 ASP H H 1 8.46808 0 . . . . . . . 100 ASP H . 19254 1 220 . 1 1 100 100 ASP N N 15 126.17244 0 . . . . . . . 100 ASP N . 19254 1 221 . 1 1 101 101 LYS H H 1 9.39072 0 . . . . . . . 101 LYS H . 19254 1 222 . 1 1 101 101 LYS N N 15 124.70455 0 . . . . . . . 101 LYS N . 19254 1 223 . 1 1 103 103 TRP H H 1 8.32867 0 . . . . . . . 103 TRP H . 19254 1 224 . 1 1 103 103 TRP HE1 H 1 9.04644 0 . . . . . . . 103 TRP HE1 . 19254 1 225 . 1 1 103 103 TRP N N 15 128.39914 0 . . . . . . . 103 TRP N . 19254 1 226 . 1 1 103 103 TRP NE1 N 15 128.07575 0 . . . . . . . 103 TRP NE1 . 19254 1 227 . 1 1 105 105 VAL H H 1 8.09143 0 . . . . . . . 105 VAL H . 19254 1 228 . 1 1 105 105 VAL N N 15 125.75851 0 . . . . . . . 105 VAL N . 19254 1 229 . 1 1 106 106 ALA H H 1 8.36651 0 . . . . . . . 106 ALA H . 19254 1 230 . 1 1 106 106 ALA N N 15 125.91757 0 . . . . . . . 106 ALA N . 19254 1 231 . 1 1 107 107 LEU H H 1 8.64936 0 . . . . . . . 107 LEU H . 19254 1 232 . 1 1 107 107 LEU N N 15 120.14294 0 . . . . . . . 107 LEU N . 19254 1 233 . 1 1 108 108 TYR H H 1 8.95075 0 . . . . . . . 108 TYR H . 19254 1 234 . 1 1 108 108 TYR N N 15 123.33578 0 . . . . . . . 108 TYR N . 19254 1 235 . 1 1 109 109 LEU H H 1 9.01397 0 . . . . . . . 109 LEU H . 19254 1 236 . 1 1 109 109 LEU N N 15 124.96660 0 . . . . . . . 109 LEU N . 19254 1 237 . 1 1 110 110 THR H H 1 9.64406 0 . . . . . . . 110 THR H . 19254 1 238 . 1 1 110 110 THR N N 15 120.40145 0 . . . . . . . 110 THR N . 19254 1 239 . 1 1 112 112 VAL H H 1 8.09132 0 . . . . . . . 112 VAL H . 19254 1 240 . 1 1 112 112 VAL N N 15 118.33551 0 . . . . . . . 112 VAL N . 19254 1 241 . 1 1 113 113 SER H H 1 8.31478 0 . . . . . . . 113 SER H . 19254 1 242 . 1 1 113 113 SER N N 15 114.86049 0 . . . . . . . 113 SER N . 19254 1 243 . 1 1 114 114 SER H H 1 7.73010 0 . . . . . . . 114 SER H . 19254 1 244 . 1 1 114 114 SER N N 15 112.80350 0 . . . . . . . 114 SER N . 19254 1 245 . 1 1 115 115 ALA H H 1 7.73922 0 . . . . . . . 115 ALA H . 19254 1 246 . 1 1 115 115 ALA N N 15 126.06817 0 . . . . . . . 115 ALA N . 19254 1 247 . 1 1 116 116 GLY H H 1 8.11857 0 . . . . . . . 116 GLY H . 19254 1 248 . 1 1 116 116 GLY N N 15 106.52736 0 . . . . . . . 116 GLY N . 19254 1 249 . 1 1 117 117 GLY H H 1 8.64779 0 . . . . . . . 117 GLY H . 19254 1 250 . 1 1 117 117 GLY N N 15 111.76920 0 . . . . . . . 117 GLY N . 19254 1 251 . 1 1 118 118 VAL H H 1 8.62331 0 . . . . . . . 118 VAL H . 19254 1 252 . 1 1 118 118 VAL N N 15 122.61808 0 . . . . . . . 118 VAL N . 19254 1 253 . 1 1 119 119 ALA H H 1 9.10129 0 . . . . . . . 119 ALA H . 19254 1 254 . 1 1 119 119 ALA N N 15 134.67730 0 . . . . . . . 119 ALA N . 19254 1 255 . 1 1 120 120 ILE H H 1 7.62826 0 . . . . . . . 120 ILE H . 19254 1 256 . 1 1 120 120 ILE N N 15 115.64396 0 . . . . . . . 120 ILE N . 19254 1 257 . 1 1 121 121 LYS H H 1 8.41122 0 . . . . . . . 121 LYS H . 19254 1 258 . 1 1 121 121 LYS N N 15 125.64257 0 . . . . . . . 121 LYS N . 19254 1 259 . 1 1 122 122 ALA H H 1 9.83224 0 . . . . . . . 122 ALA H . 19254 1 260 . 1 1 122 122 ALA N N 15 129.02456 0 . . . . . . . 122 ALA N . 19254 1 261 . 1 1 123 123 GLY H H 1 9.05948 0 . . . . . . . 123 GLY H . 19254 1 262 . 1 1 123 123 GLY N N 15 111.86906 0 . . . . . . . 123 GLY N . 19254 1 263 . 1 1 124 124 SER H H 1 8.07658 0 . . . . . . . 124 SER H . 19254 1 264 . 1 1 124 124 SER N N 15 115.03589 0 . . . . . . . 124 SER N . 19254 1 265 . 1 1 125 125 LEU H H 1 8.24843 0 . . . . . . . 125 LEU H . 19254 1 266 . 1 1 125 125 LEU N N 15 123.97913 0 . . . . . . . 125 LEU N . 19254 1 267 . 1 1 126 126 ILE H H 1 9.07937 0 . . . . . . . 126 ILE H . 19254 1 268 . 1 1 126 126 ILE N N 15 119.64020 0 . . . . . . . 126 ILE N . 19254 1 269 . 1 1 127 127 ALA H H 1 7.71383 0 . . . . . . . 127 ALA H . 19254 1 270 . 1 1 127 127 ALA N N 15 120.28178 0 . . . . . . . 127 ALA N . 19254 1 271 . 1 1 128 128 VAL H H 1 8.54795 0 . . . . . . . 128 VAL H . 19254 1 272 . 1 1 128 128 VAL N N 15 119.18673 0 . . . . . . . 128 VAL N . 19254 1 273 . 1 1 129 129 LEU H H 1 9.40483 0 . . . . . . . 129 LEU H . 19254 1 274 . 1 1 129 129 LEU N N 15 128.61097 0 . . . . . . . 129 LEU N . 19254 1 275 . 1 1 130 130 ILE H H 1 9.07419 0 . . . . . . . 130 ILE H . 19254 1 276 . 1 1 130 130 ILE N N 15 121.84137 0 . . . . . . . 130 ILE N . 19254 1 277 . 1 1 131 131 LEU H H 1 9.36227 0 . . . . . . . 131 LEU H . 19254 1 278 . 1 1 131 131 LEU N N 15 134.72223 0 . . . . . . . 131 LEU N . 19254 1 279 . 1 1 132 132 ARG H H 1 9.05250 0 . . . . . . . 132 ARG H . 19254 1 280 . 1 1 132 132 ARG HE H 1 8.57562 0 . . . . . . . 132 ARG HE . 19254 1 281 . 1 1 132 132 ARG N N 15 130.08930 0 . . . . . . . 132 ARG N . 19254 1 282 . 1 1 132 132 ARG NE N 15 86.43386 0 . . . . . . . 132 ARG NE . 19254 1 283 . 1 1 133 133 GLN H H 1 9.46054 0 . . . . . . . 133 GLN H . 19254 1 284 . 1 1 133 133 GLN HE21 H 1 6.07695 0 . . . . . . . 133 GLN HE21 . 19254 1 285 . 1 1 133 133 GLN HE22 H 1 6.96268 0 . . . . . . . 133 GLN HE22 . 19254 1 286 . 1 1 133 133 GLN N N 15 132.87027 0 . . . . . . . 133 GLN N . 19254 1 287 . 1 1 133 133 GLN NE2 N 15 110.23914 0 . . . . . . . 133 GLN NE2 . 19254 1 288 . 1 1 134 134 THR H H 1 8.88185 0 . . . . . . . 134 THR H . 19254 1 289 . 1 1 134 134 THR N N 15 117.90172 0 . . . . . . . 134 THR N . 19254 1 290 . 1 1 135 135 ASN H H 1 9.76333 0 . . . . . . . 135 ASN H . 19254 1 291 . 1 1 135 135 ASN HD21 H 1 7.65051 0 . . . . . . . 135 ASN HD21 . 19254 1 292 . 1 1 135 135 ASN HD22 H 1 7.77677 0 . . . . . . . 135 ASN HD22 . 19254 1 293 . 1 1 135 135 ASN N N 15 117.68470 0 . . . . . . . 135 ASN N . 19254 1 294 . 1 1 135 135 ASN ND2 N 15 116.80679 0 . . . . . . . 135 ASN ND2 . 19254 1 295 . 1 1 136 136 ASN H H 1 8.32100 0 . . . . . . . 136 ASN H . 19254 1 296 . 1 1 136 136 ASN HD21 H 1 7.16831 0 . . . . . . . 136 ASN HD21 . 19254 1 297 . 1 1 136 136 ASN HD22 H 1 7.76391 0 . . . . . . . 136 ASN HD22 . 19254 1 298 . 1 1 136 136 ASN N N 15 115.96942 0 . . . . . . . 136 ASN N . 19254 1 299 . 1 1 136 136 ASN ND2 N 15 112.54330 0 . . . . . . . 136 ASN ND2 . 19254 1 300 . 1 1 137 137 TYR H H 1 9.10843 0.00239 . . . . . . . 137 TYR H . 19254 1 301 . 1 1 137 137 TYR N N 15 123.39985 0.01215 . . . . . . . 137 TYR N . 19254 1 302 . 1 1 138 138 ASN H H 1 9.44239 0 . . . . . . . 138 ASN H . 19254 1 303 . 1 1 138 138 ASN HD21 H 1 6.97154 0 . . . . . . . 138 ASN HD21 . 19254 1 304 . 1 1 138 138 ASN HD22 H 1 7.71952 0 . . . . . . . 138 ASN HD22 . 19254 1 305 . 1 1 138 138 ASN N N 15 121.65048 0 . . . . . . . 138 ASN N . 19254 1 306 . 1 1 138 138 ASN ND2 N 15 111.25276 0 . . . . . . . 138 ASN ND2 . 19254 1 307 . 1 1 139 139 SER H H 1 7.85187 0 . . . . . . . 139 SER H . 19254 1 308 . 1 1 139 139 SER N N 15 111.79638 0 . . . . . . . 139 SER N . 19254 1 309 . 1 1 140 140 ASP H H 1 7.73834 0 . . . . . . . 140 ASP H . 19254 1 310 . 1 1 140 140 ASP N N 15 124.29157 0 . . . . . . . 140 ASP N . 19254 1 311 . 1 1 141 141 ASP H H 1 6.63185 0 . . . . . . . 141 ASP H . 19254 1 312 . 1 1 141 141 ASP N N 15 121.75488 0 . . . . . . . 141 ASP N . 19254 1 313 . 1 1 142 142 PHE H H 1 8.99704 0 . . . . . . . 142 PHE H . 19254 1 314 . 1 1 142 142 PHE N N 15 123.37396 0 . . . . . . . 142 PHE N . 19254 1 315 . 1 1 143 143 GLN H H 1 8.81555 0 . . . . . . . 143 GLN H . 19254 1 316 . 1 1 143 143 GLN HE21 H 1 6.60288 0 . . . . . . . 143 GLN HE21 . 19254 1 317 . 1 1 143 143 GLN HE22 H 1 7.76804 0 . . . . . . . 143 GLN HE22 . 19254 1 318 . 1 1 143 143 GLN N N 15 118.15389 0 . . . . . . . 143 GLN N . 19254 1 319 . 1 1 143 143 GLN NE2 N 15 112.30259 0 . . . . . . . 143 GLN NE2 . 19254 1 320 . 1 1 144 144 PHE H H 1 9.93641 0 . . . . . . . 144 PHE H . 19254 1 321 . 1 1 144 144 PHE N N 15 127.37878 0 . . . . . . . 144 PHE N . 19254 1 322 . 1 1 145 145 VAL H H 1 8.78337 0 . . . . . . . 145 VAL H . 19254 1 323 . 1 1 145 145 VAL N N 15 125.30404 0 . . . . . . . 145 VAL N . 19254 1 324 . 1 1 146 146 TRP H H 1 8.76164 0 . . . . . . . 146 TRP H . 19254 1 325 . 1 1 146 146 TRP HE1 H 1 7.08843 0 . . . . . . . 146 TRP HE1 . 19254 1 326 . 1 1 146 146 TRP N N 15 126.80193 0 . . . . . . . 146 TRP N . 19254 1 327 . 1 1 146 146 TRP NE1 N 15 122.69595 0 . . . . . . . 146 TRP NE1 . 19254 1 328 . 1 1 147 147 ASN H H 1 9.01233 0 . . . . . . . 147 ASN H . 19254 1 329 . 1 1 147 147 ASN HD21 H 1 6.30259 0 . . . . . . . 147 ASN HD21 . 19254 1 330 . 1 1 147 147 ASN HD22 H 1 6.67607 0 . . . . . . . 147 ASN HD22 . 19254 1 331 . 1 1 147 147 ASN N N 15 125.00531 0 . . . . . . . 147 ASN N . 19254 1 332 . 1 1 147 147 ASN ND2 N 15 110.64046 0 . . . . . . . 147 ASN ND2 . 19254 1 333 . 1 1 148 148 ILE H H 1 9.23452 0 . . . . . . . 148 ILE H . 19254 1 334 . 1 1 148 148 ILE N N 15 124.60849 0 . . . . . . . 148 ILE N . 19254 1 335 . 1 1 149 149 TYR H H 1 9.31919 0 . . . . . . . 149 TYR H . 19254 1 336 . 1 1 149 149 TYR N N 15 127.29395 0 . . . . . . . 149 TYR N . 19254 1 337 . 1 1 150 150 ALA H H 1 8.56573 0 . . . . . . . 150 ALA H . 19254 1 338 . 1 1 150 150 ALA N N 15 122.33946 0 . . . . . . . 150 ALA N . 19254 1 339 . 1 1 151 151 ASN H H 1 9.13364 0 . . . . . . . 151 ASN H . 19254 1 340 . 1 1 151 151 ASN HD21 H 1 6.55451 0 . . . . . . . 151 ASN HD21 . 19254 1 341 . 1 1 151 151 ASN HD22 H 1 7.38329 0 . . . . . . . 151 ASN HD22 . 19254 1 342 . 1 1 151 151 ASN N N 15 120.11389 0 . . . . . . . 151 ASN N . 19254 1 343 . 1 1 151 151 ASN ND2 N 15 109.44680 0 . . . . . . . 151 ASN ND2 . 19254 1 344 . 1 1 152 152 ASN H H 1 7.39191 0 . . . . . . . 152 ASN H . 19254 1 345 . 1 1 152 152 ASN HD21 H 1 7.17088 0 . . . . . . . 152 ASN HD21 . 19254 1 346 . 1 1 152 152 ASN HD22 H 1 7.24360 0 . . . . . . . 152 ASN HD22 . 19254 1 347 . 1 1 152 152 ASN N N 15 110.95367 0 . . . . . . . 152 ASN N . 19254 1 348 . 1 1 152 152 ASN ND2 N 15 114.96764 0 . . . . . . . 152 ASN ND2 . 19254 1 349 . 1 1 153 153 ASP H H 1 8.47456 0 . . . . . . . 153 ASP H . 19254 1 350 . 1 1 153 153 ASP N N 15 117.20144 0 . . . . . . . 153 ASP N . 19254 1 351 . 1 1 154 154 VAL H H 1 8.83495 0 . . . . . . . 154 VAL H . 19254 1 352 . 1 1 154 154 VAL N N 15 121.20648 0 . . . . . . . 154 VAL N . 19254 1 353 . 1 1 155 155 VAL H H 1 8.70919 0 . . . . . . . 155 VAL H . 19254 1 354 . 1 1 155 155 VAL N N 15 128.33778 0 . . . . . . . 155 VAL N . 19254 1 355 . 1 1 156 156 VAL H H 1 8.49982 0 . . . . . . . 156 VAL H . 19254 1 356 . 1 1 156 156 VAL N N 15 126.99049 0 . . . . . . . 156 VAL N . 19254 1 357 . 1 1 158 158 THR H H 1 7.71492 0 . . . . . . . 158 THR H . 19254 1 358 . 1 1 158 158 THR N N 15 118.89152 0 . . . . . . . 158 THR N . 19254 1 stop_ save_