################################### # 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 17437 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 17437 1 2 '3D HNCACB' . . . 17437 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 ASN H H 1 8.555 0.02 . 1 . . . . 2 asn H . 17437 1 2 . 1 1 2 2 ASN CA C 13 53.272 0.2 . 1 . . . . 2 asn CA . 17437 1 3 . 1 1 2 2 ASN CB C 13 38.974 0.2 . 1 . . . . 2 asn CB . 17437 1 4 . 1 1 2 2 ASN N N 15 119.051 0.1 . 1 . . . . 2 asn N . 17437 1 5 . 1 1 3 3 SER H H 1 8.519 0.02 . 1 . . . . 3 ser H . 17437 1 6 . 1 1 3 3 SER CA C 13 58.508 0.2 . 1 . . . . 3 ser CA . 17437 1 7 . 1 1 3 3 SER CB C 13 63.770 0.2 . 1 . . . . 3 ser CB . 17437 1 8 . 1 1 3 3 SER N N 15 116.869 0.1 . 1 . . . . 3 ser N . 17437 1 9 . 1 1 4 4 ASN H H 1 8.564 0.02 . 1 . . . . 4 asn H . 17437 1 10 . 1 1 4 4 ASN CA C 13 53.675 0.2 . 1 . . . . 4 asn CA . 17437 1 11 . 1 1 4 4 ASN CB C 13 38.725 0.2 . 1 . . . . 4 asn CB . 17437 1 12 . 1 1 4 4 ASN N N 15 120.872 0.1 . 1 . . . . 4 asn N . 17437 1 13 . 1 1 5 5 VAL H H 1 8.055 0.02 . 1 . . . . 5 val H . 17437 1 14 . 1 1 5 5 VAL CA C 13 62.914 0.2 . 1 . . . . 5 val CA . 17437 1 15 . 1 1 5 5 VAL CB C 13 32.553 0.2 . 1 . . . . 5 val CB . 17437 1 16 . 1 1 5 5 VAL N N 15 119.650 0.1 . 1 . . . . 5 val N . 17437 1 17 . 1 1 6 6 GLU H H 1 8.342 0.02 . 1 . . . . 6 glu H . 17437 1 18 . 1 1 6 6 GLU CA C 13 56.596 0.2 . 1 . . . . 6 glu CA . 17437 1 19 . 1 1 6 6 GLU CB C 13 30.225 0.2 . 1 . . . . 6 glu CB . 17437 1 20 . 1 1 6 6 GLU N N 15 122.698 0.1 . 1 . . . . 6 glu N . 17437 1 21 . 1 1 7 7 ASN H H 1 8.280 0.02 . 1 . . . . 7 asn H . 17437 1 22 . 1 1 7 7 ASN CA C 13 53.276 0.2 . 1 . . . . 7 asn CA . 17437 1 23 . 1 1 7 7 ASN CB C 13 38.947 0.2 . 1 . . . . 7 asn CB . 17437 1 24 . 1 1 7 7 ASN N N 15 118.755 0.1 . 1 . . . . 7 asn N . 17437 1 25 . 1 1 8 8 LEU H H 1 8.170 0.02 . 1 . . . . 8 leu H . 17437 1 26 . 1 1 8 8 LEU N N 15 121.856 0.1 . 1 . . . . 8 leu N . 17437 1 27 . 1 1 10 10 PRO CA C 13 65.805 0.2 . 1 . . . . 10 pro CA . 17437 1 28 . 1 1 10 10 PRO CB C 13 32.262 0.2 . 1 . . . . 10 pro CB . 17437 1 29 . 1 1 11 11 HIS H H 1 8.459 0.02 . 1 . . . . 11 his H . 17437 1 30 . 1 1 11 11 HIS CA C 13 59.204 0.2 . 1 . . . . 11 his CA . 17437 1 31 . 1 1 11 11 HIS CB C 13 29.421 0.2 . 1 . . . . 11 his CB . 17437 1 32 . 1 1 11 11 HIS N N 15 113.796 0.1 . 1 . . . . 11 his N . 17437 1 33 . 1 1 12 12 ILE H H 1 7.027 0.02 . 1 . . . . 12 ile H . 17437 1 34 . 1 1 12 12 ILE CA C 13 61.574 0.2 . 1 . . . . 12 ile CA . 17437 1 35 . 1 1 12 12 ILE CB C 13 36.090 0.2 . 1 . . . . 12 ile CB . 17437 1 36 . 1 1 12 12 ILE N N 15 122.358 0.1 . 1 . . . . 12 ile N . 17437 1 37 . 1 1 13 13 ILE H H 1 7.727 0.02 . 1 . . . . 13 ile H . 17437 1 38 . 1 1 13 13 ILE CA C 13 64.603 0.2 . 1 . . . . 13 ile CA . 17437 1 39 . 1 1 13 13 ILE CB C 13 36.933 0.2 . 1 . . . . 13 ile CB . 17437 1 40 . 1 1 13 13 ILE N N 15 121.387 0.1 . 1 . . . . 13 ile N . 17437 1 41 . 1 1 14 14 ARG H H 1 7.773 0.02 . 1 . . . . 14 arg H . 17437 1 42 . 1 1 14 14 ARG CA C 13 59.642 0.2 . 1 . . . . 14 arg CA . 17437 1 43 . 1 1 14 14 ARG CB C 13 30.185 0.2 . 1 . . . . 14 arg CB . 17437 1 44 . 1 1 14 14 ARG N N 15 116.718 0.1 . 1 . . . . 14 arg N . 17437 1 45 . 1 1 15 15 LEU H H 1 7.380 0.02 . 1 . . . . 15 leu H . 17437 1 46 . 1 1 15 15 LEU CA C 13 58.284 0.2 . 1 . . . . 15 leu CA . 17437 1 47 . 1 1 15 15 LEU CB C 13 42.417 0.2 . 1 . . . . 15 leu CB . 17437 1 48 . 1 1 15 15 LEU N N 15 120.649 0.1 . 1 . . . . 15 leu N . 17437 1 49 . 1 1 16 16 VAL H H 1 8.629 0.02 . 1 . . . . 16 val H . 17437 1 50 . 1 1 16 16 VAL CA C 13 66.930 0.2 . 1 . . . . 16 val CA . 17437 1 51 . 1 1 16 16 VAL CB C 13 31.747 0.2 . 1 . . . . 16 val CB . 17437 1 52 . 1 1 16 16 VAL N N 15 121.469 0.1 . 1 . . . . 16 val N . 17437 1 53 . 1 1 17 17 TYR H H 1 8.938 0.02 . 1 . . . . 17 tyr H . 17437 1 54 . 1 1 17 17 TYR CA C 13 62.091 0.2 . 1 . . . . 17 tyr CA . 17437 1 55 . 1 1 17 17 TYR CB C 13 37.994 0.2 . 1 . . . . 17 tyr CB . 17437 1 56 . 1 1 17 17 TYR N N 15 119.955 0.1 . 1 . . . . 17 tyr N . 17437 1 57 . 1 1 18 18 LYS H H 1 8.133 0.02 . 1 . . . . 18 lys H . 17437 1 58 . 1 1 18 18 LYS CA C 13 59.658 0.2 . 1 . . . . 18 lys CA . 17437 1 59 . 1 1 18 18 LYS CB C 13 32.256 0.2 . 1 . . . . 18 lys CB . 17437 1 60 . 1 1 18 18 LYS N N 15 120.129 0.1 . 1 . . . . 18 lys N . 17437 1 61 . 1 1 19 19 GLU H H 1 8.134 0.02 . 1 . . . . 19 glu H . 17437 1 62 . 1 1 19 19 GLU CA C 13 59.926 0.2 . 1 . . . . 19 glu CA . 17437 1 63 . 1 1 19 19 GLU CB C 13 29.599 0.2 . 1 . . . . 19 glu CB . 17437 1 64 . 1 1 19 19 GLU N N 15 120.426 0.1 . 1 . . . . 19 glu N . 17437 1 65 . 1 1 20 20 VAL H H 1 9.258 0.02 . 1 . . . . 20 val H . 17437 1 66 . 1 1 20 20 VAL CA C 13 67.585 0.2 . 1 . . . . 20 val CA . 17437 1 67 . 1 1 20 20 VAL CB C 13 31.349 0.2 . 1 . . . . 20 val CB . 17437 1 68 . 1 1 20 20 VAL N N 15 119.164 0.1 . 1 . . . . 20 val N . 17437 1 69 . 1 1 21 21 THR H H 1 8.159 0.02 . 1 . . . . 21 thr H . 17437 1 70 . 1 1 21 21 THR CA C 13 66.913 0.2 . 1 . . . . 21 thr CA . 17437 1 71 . 1 1 21 21 THR CB C 13 68.440 0.2 . 1 . . . . 21 thr CB . 17437 1 72 . 1 1 21 21 THR N N 15 116.211 0.1 . 1 . . . . 21 thr N . 17437 1 73 . 1 1 22 22 THR H H 1 7.728 0.02 . 1 . . . . 22 thr H . 17437 1 74 . 1 1 22 22 THR CA C 13 66.037 0.2 . 1 . . . . 22 thr CA . 17437 1 75 . 1 1 22 22 THR CB C 13 68.746 0.2 . 1 . . . . 22 thr CB . 17437 1 76 . 1 1 22 22 THR N N 15 117.351 0.1 . 1 . . . . 22 thr N . 17437 1 77 . 1 1 23 23 LEU H H 1 8.159 0.02 . 1 . . . . 23 leu H . 17437 1 78 . 1 1 23 23 LEU CA C 13 57.342 0.2 . 1 . . . . 23 leu CA . 17437 1 79 . 1 1 23 23 LEU CB C 13 42.997 0.2 . 1 . . . . 23 leu CB . 17437 1 80 . 1 1 23 23 LEU N N 15 122.773 0.1 . 1 . . . . 23 leu N . 17437 1 81 . 1 1 24 24 THR H H 1 7.935 0.02 . 1 . . . . 24 thr H . 17437 1 82 . 1 1 24 24 THR CA C 13 65.038 0.2 . 1 . . . . 24 thr CA . 17437 1 83 . 1 1 24 24 THR CB C 13 68.747 0.2 . 1 . . . . 24 thr CB . 17437 1 84 . 1 1 24 24 THR N N 15 110.750 0.1 . 1 . . . . 24 thr N . 17437 1 85 . 1 1 25 25 ALA H H 1 7.238 0.02 . 1 . . . . 25 ala H . 17437 1 86 . 1 1 25 25 ALA CA C 13 53.870 0.2 . 1 . . . . 25 ala CA . 17437 1 87 . 1 1 25 25 ALA CB C 13 19.432 0.2 . 1 . . . . 25 ala CB . 17437 1 88 . 1 1 25 25 ALA N N 15 122.782 0.1 . 1 . . . . 25 ala N . 17437 1 89 . 1 1 26 26 ASP H H 1 7.802 0.02 . 1 . . . . 26 asp H . 17437 1 90 . 1 1 26 26 ASP N N 15 115.672 0.1 . 1 . . . . 26 asp N . 17437 1 91 . 1 1 28 28 PRO CA C 13 61.657 0.2 . 1 . . . . 28 pro CA . 17437 1 92 . 1 1 28 28 PRO CB C 13 31.461 0.2 . 1 . . . . 28 pro CB . 17437 1 93 . 1 1 29 29 ASP H H 1 8.288 0.02 . 1 . . . . 29 asp H . 17437 1 94 . 1 1 29 29 ASP CA C 13 55.999 0.2 . 1 . . . . 29 asp CA . 17437 1 95 . 1 1 29 29 ASP CB C 13 40.756 0.2 . 1 . . . . 29 asp CB . 17437 1 96 . 1 1 29 29 ASP N N 15 120.285 0.1 . 1 . . . . 29 asp N . 17437 1 97 . 1 1 30 30 GLY H H 1 8.677 0.02 . 1 . . . . 30 gly H . 17437 1 98 . 1 1 30 30 GLY CA C 13 45.747 0.2 . 1 . . . . 30 gly CA . 17437 1 99 . 1 1 30 30 GLY N N 15 112.211 0.1 . 1 . . . . 30 gly N . 17437 1 100 . 1 1 31 31 ILE H H 1 7.882 0.02 . 1 . . . . 31 ile H . 17437 1 101 . 1 1 31 31 ILE CA C 13 59.747 0.2 . 1 . . . . 31 ile CA . 17437 1 102 . 1 1 31 31 ILE CB C 13 40.241 0.2 . 1 . . . . 31 ile CB . 17437 1 103 . 1 1 31 31 ILE N N 15 121.526 0.1 . 1 . . . . 31 ile N . 17437 1 104 . 1 1 32 32 LYS H H 1 8.438 0.02 . 1 . . . . 32 lys H . 17437 1 105 . 1 1 32 32 LYS CA C 13 54.706 0.2 . 1 . . . . 32 lys CA . 17437 1 106 . 1 1 32 32 LYS CB C 13 36.475 0.2 . 1 . . . . 32 lys CB . 17437 1 107 . 1 1 32 32 LYS N N 15 125.009 0.1 . 1 . . . . 32 lys N . 17437 1 108 . 1 1 33 33 VAL H H 1 8.367 0.02 . 1 . . . . 33 val H . 17437 1 109 . 1 1 33 33 VAL CA C 13 60.562 0.2 . 1 . . . . 33 val CA . 17437 1 110 . 1 1 33 33 VAL CB C 13 33.815 0.2 . 1 . . . . 33 val CB . 17437 1 111 . 1 1 33 33 VAL N N 15 118.863 0.1 . 1 . . . . 33 val N . 17437 1 112 . 1 1 34 34 PHE H H 1 8.658 0.02 . 1 . . . . 34 phe H . 17437 1 113 . 1 1 34 34 PHE N N 15 122.976 0.1 . 1 . . . . 34 phe N . 17437 1 114 . 1 1 35 35 PRO CA C 13 62.914 0.2 . 1 . . . . 35 pro CA . 17437 1 115 . 1 1 35 35 PRO CB C 13 32.548 0.2 . 1 . . . . 35 pro CB . 17437 1 116 . 1 1 36 36 ASN H H 1 8.968 0.02 . 1 . . . . 36 asn H . 17437 1 117 . 1 1 36 36 ASN CA C 13 52.156 0.2 . 1 . . . . 36 asn CA . 17437 1 118 . 1 1 36 36 ASN CB C 13 39.030 0.2 . 1 . . . . 36 asn CB . 17437 1 119 . 1 1 36 36 ASN N N 15 121.594 0.1 . 1 . . . . 36 asn N . 17437 1 120 . 1 1 37 37 GLU H H 1 9.048 0.02 . 1 . . . . 37 glu H . 17437 1 121 . 1 1 37 37 GLU CA C 13 58.894 0.2 . 1 . . . . 37 glu CA . 17437 1 122 . 1 1 37 37 GLU CB C 13 30.377 0.2 . 1 . . . . 37 glu CB . 17437 1 123 . 1 1 37 37 GLU N N 15 123.954 0.1 . 1 . . . . 37 glu N . 17437 1 124 . 1 1 38 38 GLU H H 1 8.151 0.02 . 1 . . . . 38 glu H . 17437 1 125 . 1 1 38 38 GLU CA C 13 57.097 0.2 . 1 . . . . 38 glu CA . 17437 1 126 . 1 1 38 38 GLU CB C 13 30.252 0.2 . 1 . . . . 38 glu CB . 17437 1 127 . 1 1 38 38 GLU N N 15 116.233 0.1 . 1 . . . . 38 glu N . 17437 1 128 . 1 1 39 39 ASP H H 1 7.544 0.02 . 1 . . . . 39 asp H . 17437 1 129 . 1 1 39 39 ASP CA C 13 53.758 0.2 . 1 . . . . 39 asp CA . 17437 1 130 . 1 1 39 39 ASP CB C 13 40.581 0.2 . 1 . . . . 39 asp CB . 17437 1 131 . 1 1 39 39 ASP N N 15 117.431 0.1 . 1 . . . . 39 asp N . 17437 1 132 . 1 1 40 40 LEU H H 1 8.691 0.02 . 1 . . . . 40 leu H . 17437 1 133 . 1 1 40 40 LEU CA C 13 56.126 0.2 . 1 . . . . 40 leu CA . 17437 1 134 . 1 1 40 40 LEU CB C 13 42.056 0.2 . 1 . . . . 40 leu CB . 17437 1 135 . 1 1 40 40 LEU N N 15 125.952 0.1 . 1 . . . . 40 leu N . 17437 1 136 . 1 1 41 41 THR H H 1 8.004 0.02 . 1 . . . . 41 thr H . 17437 1 137 . 1 1 41 41 THR CA C 13 62.622 0.2 . 1 . . . . 41 thr CA . 17437 1 138 . 1 1 41 41 THR CB C 13 69.177 0.2 . 1 . . . . 41 thr CB . 17437 1 139 . 1 1 41 41 THR N N 15 103.412 0.1 . 1 . . . . 41 thr N . 17437 1 140 . 1 1 42 42 ASP H H 1 7.152 0.02 . 1 . . . . 42 asp H . 17437 1 141 . 1 1 42 42 ASP CA C 13 52.722 0.2 . 1 . . . . 42 asp CA . 17437 1 142 . 1 1 42 42 ASP CB C 13 42.275 0.2 . 1 . . . . 42 asp CB . 17437 1 143 . 1 1 42 42 ASP N N 15 122.203 0.1 . 1 . . . . 42 asp N . 17437 1 144 . 1 1 43 43 LEU H H 1 8.671 0.02 . 1 . . . . 43 leu H . 17437 1 145 . 1 1 43 43 LEU CA C 13 53.819 0.2 . 1 . . . . 43 leu CA . 17437 1 146 . 1 1 43 43 LEU CB C 13 44.621 0.2 . 1 . . . . 43 leu CB . 17437 1 147 . 1 1 43 43 LEU N N 15 124.978 0.1 . 1 . . . . 43 leu N . 17437 1 148 . 1 1 44 44 GLN H H 1 8.136 0.02 . 1 . . . . 44 gln H . 17437 1 149 . 1 1 44 44 GLN CA C 13 55.387 0.2 . 1 . . . . 44 gln CA . 17437 1 150 . 1 1 44 44 GLN CB C 13 29.824 0.2 . 1 . . . . 44 gln CB . 17437 1 151 . 1 1 44 44 GLN N N 15 124.138 0.1 . 1 . . . . 44 gln N . 17437 1 152 . 1 1 45 45 VAL H H 1 8.667 0.02 . 1 . . . . 45 val H . 17437 1 153 . 1 1 45 45 VAL CA C 13 59.643 0.2 . 1 . . . . 45 val CA . 17437 1 154 . 1 1 45 45 VAL CB C 13 37.311 0.2 . 1 . . . . 45 val CB . 17437 1 155 . 1 1 45 45 VAL N N 15 121.215 0.1 . 1 . . . . 45 val N . 17437 1 156 . 1 1 46 46 THR H H 1 9.394 0.02 . 1 . . . . 46 thr H . 17437 1 157 . 1 1 46 46 THR CA C 13 60.372 0.2 . 1 . . . . 46 thr CA . 17437 1 158 . 1 1 46 46 THR CB C 13 71.317 0.2 . 1 . . . . 46 thr CB . 17437 1 159 . 1 1 46 46 THR N N 15 116.800 0.1 . 1 . . . . 46 thr N . 17437 1 160 . 1 1 47 47 ILE H H 1 9.168 0.02 . 1 . . . . 47 ile H . 17437 1 161 . 1 1 47 47 ILE CA C 13 59.441 0.2 . 1 . . . . 47 ile CA . 17437 1 162 . 1 1 47 47 ILE CB C 13 42.447 0.2 . 1 . . . . 47 ile CB . 17437 1 163 . 1 1 47 47 ILE N N 15 121.597 0.1 . 1 . . . . 47 ile N . 17437 1 164 . 1 1 48 48 GLU H H 1 8.735 0.02 . 1 . . . . 48 glu H . 17437 1 165 . 1 1 48 48 GLU CA C 13 55.607 0.2 . 1 . . . . 48 glu CA . 17437 1 166 . 1 1 48 48 GLU CB C 13 30.438 0.2 . 1 . . . . 48 glu CB . 17437 1 167 . 1 1 48 48 GLU N N 15 127.866 0.1 . 1 . . . . 48 glu N . 17437 1 168 . 1 1 49 49 GLY H H 1 9.561 0.02 . 1 . . . . 49 gly H . 17437 1 169 . 1 1 49 49 GLY N N 15 112.447 0.1 . 1 . . . . 49 gly N . 17437 1 170 . 1 1 50 50 PRO CA C 13 63.109 0.2 . 1 . . . . 50 pro CA . 17437 1 171 . 1 1 50 50 PRO CB C 13 32.194 0.2 . 1 . . . . 50 pro CB . 17437 1 172 . 1 1 51 51 GLU H H 1 8.938 0.02 . 1 . . . . 51 glu H . 17437 1 173 . 1 1 51 51 GLU CA C 13 57.729 0.2 . 1 . . . . 51 glu CA . 17437 1 174 . 1 1 51 51 GLU CB C 13 29.764 0.2 . 1 . . . . 51 glu CB . 17437 1 175 . 1 1 51 51 GLU N N 15 124.606 0.1 . 1 . . . . 51 glu N . 17437 1 176 . 1 1 52 52 GLY H H 1 9.167 0.02 . 1 . . . . 52 gly H . 17437 1 177 . 1 1 52 52 GLY CA C 13 45.629 0.2 . 1 . . . . 52 gly CA . 17437 1 178 . 1 1 52 52 GLY N N 15 110.808 0.1 . 1 . . . . 52 gly N . 17437 1 179 . 1 1 53 53 THR H H 1 7.498 0.02 . 1 . . . . 53 thr H . 17437 1 180 . 1 1 53 53 THR N N 15 108.437 0.1 . 1 . . . . 53 thr N . 17437 1 181 . 1 1 54 54 PRO CA C 13 63.764 0.2 . 1 . . . . 54 pro CA . 17437 1 182 . 1 1 54 54 PRO CB C 13 32.558 0.2 . 1 . . . . 54 pro CB . 17437 1 183 . 1 1 55 55 TYR H H 1 6.914 0.02 . 1 . . . . 55 tyr H . 17437 1 184 . 1 1 55 55 TYR CA C 13 55.845 0.2 . 1 . . . . 55 tyr CA . 17437 1 185 . 1 1 55 55 TYR CB C 13 38.279 0.2 . 1 . . . . 55 tyr CB . 17437 1 186 . 1 1 55 55 TYR N N 15 113.993 0.1 . 1 . . . . 55 tyr N . 17437 1 187 . 1 1 56 56 ALA H H 1 7.277 0.02 . 1 . . . . 56 ala H . 17437 1 188 . 1 1 56 56 ALA CA C 13 53.700 0.2 . 1 . . . . 56 ala CA . 17437 1 189 . 1 1 56 56 ALA CB C 13 19.577 0.2 . 1 . . . . 56 ala CB . 17437 1 190 . 1 1 56 56 ALA N N 15 123.188 0.1 . 1 . . . . 56 ala N . 17437 1 191 . 1 1 57 57 GLY H H 1 8.715 0.02 . 1 . . . . 57 gly H . 17437 1 192 . 1 1 57 57 GLY CA C 13 45.294 0.2 . 1 . . . . 57 gly CA . 17437 1 193 . 1 1 57 57 GLY N N 15 111.735 0.1 . 1 . . . . 57 gly N . 17437 1 194 . 1 1 58 58 GLY H H 1 8.257 0.02 . 1 . . . . 58 gly H . 17437 1 195 . 1 1 58 58 GLY CA C 13 44.587 0.2 . 1 . . . . 58 gly CA . 17437 1 196 . 1 1 58 58 GLY N N 15 107.109 0.1 . 1 . . . . 58 gly N . 17437 1 197 . 1 1 59 59 LEU H H 1 9.289 0.02 . 1 . . . . 59 leu H . 17437 1 198 . 1 1 59 59 LEU CA C 13 54.098 0.2 . 1 . . . . 59 leu CA . 17437 1 199 . 1 1 59 59 LEU CB C 13 43.214 0.2 . 1 . . . . 59 leu CB . 17437 1 200 . 1 1 59 59 LEU N N 15 126.986 0.1 . 1 . . . . 59 leu N . 17437 1 201 . 1 1 60 60 PHE H H 1 8.847 0.02 . 1 . . . . 60 phe H . 17437 1 202 . 1 1 60 60 PHE CA C 13 57.359 0.2 . 1 . . . . 60 phe CA . 17437 1 203 . 1 1 60 60 PHE CB C 13 40.363 0.2 . 1 . . . . 60 phe CB . 17437 1 204 . 1 1 60 60 PHE N N 15 123.809 0.1 . 1 . . . . 60 phe N . 17437 1 205 . 1 1 61 61 ARG H H 1 9.374 0.02 . 1 . . . . 61 arg H . 17437 1 206 . 1 1 61 61 ARG CA C 13 55.492 0.2 . 1 . . . . 61 arg CA . 17437 1 207 . 1 1 61 61 ARG CB C 13 31.451 0.2 . 1 . . . . 61 arg CB . 17437 1 208 . 1 1 61 61 ARG N N 15 123.746 0.1 . 1 . . . . 61 arg N . 17437 1 209 . 1 1 62 62 MET H H 1 9.451 0.02 . 1 . . . . 62 met H . 17437 1 210 . 1 1 62 62 MET CA C 13 54.413 0.2 . 1 . . . . 62 met CA . 17437 1 211 . 1 1 62 62 MET CB C 13 37.355 0.2 . 1 . . . . 62 met CB . 17437 1 212 . 1 1 62 62 MET N N 15 124.002 0.1 . 1 . . . . 62 met N . 17437 1 213 . 1 1 63 63 LYS H H 1 9.075 0.02 . 1 . . . . 63 lys H . 17437 1 214 . 1 1 63 63 LYS CA C 13 54.453 0.2 . 1 . . . . 63 lys CA . 17437 1 215 . 1 1 63 63 LYS CB C 13 36.145 0.2 . 1 . . . . 63 lys CB . 17437 1 216 . 1 1 63 63 LYS N N 15 120.121 0.1 . 1 . . . . 63 lys N . 17437 1 217 . 1 1 64 64 LEU H H 1 8.964 0.02 . 1 . . . . 64 leu H . 17437 1 218 . 1 1 64 64 LEU CA C 13 52.784 0.2 . 1 . . . . 64 leu CA . 17437 1 219 . 1 1 64 64 LEU CB C 13 45.005 0.2 . 1 . . . . 64 leu CB . 17437 1 220 . 1 1 64 64 LEU N N 15 123.320 0.1 . 1 . . . . 64 leu N . 17437 1 221 . 1 1 65 65 LEU H H 1 9.011 0.02 . 1 . . . . 65 leu H . 17437 1 222 . 1 1 65 65 LEU CA C 13 52.982 0.2 . 1 . . . . 65 leu CA . 17437 1 223 . 1 1 65 65 LEU CB C 13 43.761 0.2 . 1 . . . . 65 leu CB . 17437 1 224 . 1 1 65 65 LEU N N 15 122.445 0.1 . 1 . . . . 65 leu N . 17437 1 225 . 1 1 66 66 LEU H H 1 9.023 0.02 . 1 . . . . 66 leu H . 17437 1 226 . 1 1 66 66 LEU CA C 13 55.461 0.2 . 1 . . . . 66 leu CA . 17437 1 227 . 1 1 66 66 LEU CB C 13 40.975 0.2 . 1 . . . . 66 leu CB . 17437 1 228 . 1 1 66 66 LEU N N 15 126.901 0.1 . 1 . . . . 66 leu N . 17437 1 229 . 1 1 67 67 GLY H H 1 7.899 0.02 . 1 . . . . 67 gly H . 17437 1 230 . 1 1 67 67 GLY CA C 13 44.227 0.2 . 1 . . . . 67 gly CA . 17437 1 231 . 1 1 67 67 GLY N N 15 108.891 0.1 . 1 . . . . 67 gly N . 17437 1 232 . 1 1 68 68 LYS H H 1 8.390 0.02 . 1 . . . . 68 lys H . 17437 1 233 . 1 1 68 68 LYS CA C 13 58.238 0.2 . 1 . . . . 68 lys CA . 17437 1 234 . 1 1 68 68 LYS CB C 13 32.265 0.2 . 1 . . . . 68 lys CB . 17437 1 235 . 1 1 68 68 LYS N N 15 116.508 0.1 . 1 . . . . 68 lys N . 17437 1 236 . 1 1 69 69 ASP H H 1 8.524 0.02 . 1 . . . . 69 asp H . 17437 1 237 . 1 1 69 69 ASP CA C 13 52.865 0.2 . 1 . . . . 69 asp CA . 17437 1 238 . 1 1 69 69 ASP CB C 13 40.553 0.2 . 1 . . . . 69 asp CB . 17437 1 239 . 1 1 69 69 ASP N N 15 116.136 0.1 . 1 . . . . 69 asp N . 17437 1 240 . 1 1 70 70 PHE H H 1 7.702 0.02 . 1 . . . . 70 phe H . 17437 1 241 . 1 1 70 70 PHE N N 15 124.895 0.1 . 1 . . . . 70 phe N . 17437 1 242 . 1 1 71 71 PRO CA C 13 64.034 0.2 . 1 . . . . 71 pro CA . 17437 1 243 . 1 1 71 71 PRO CB C 13 32.299 0.2 . 1 . . . . 71 pro CB . 17437 1 244 . 1 1 72 72 ALA H H 1 8.551 0.02 . 1 . . . . 72 ala H . 17437 1 245 . 1 1 72 72 ALA CA C 13 55.886 0.2 . 1 . . . . 72 ala CA . 17437 1 246 . 1 1 72 72 ALA CB C 13 18.189 0.2 . 1 . . . . 72 ala CB . 17437 1 247 . 1 1 72 72 ALA N N 15 128.435 0.1 . 1 . . . . 72 ala N . 17437 1 248 . 1 1 73 73 SER H H 1 7.836 0.02 . 1 . . . . 73 ser H . 17437 1 249 . 1 1 73 73 SER N N 15 111.632 0.1 . 1 . . . . 73 ser N . 17437 1 250 . 1 1 75 75 PRO CA C 13 61.990 0.2 . 1 . . . . 75 pro CA . 17437 1 251 . 1 1 75 75 PRO CB C 13 32.552 0.2 . 1 . . . . 75 pro CB . 17437 1 252 . 1 1 76 76 LYS H H 1 7.917 0.02 . 1 . . . . 76 lys H . 17437 1 253 . 1 1 76 76 LYS CA C 13 55.641 0.2 . 1 . . . . 76 lys CA . 17437 1 254 . 1 1 76 76 LYS CB C 13 34.429 0.2 . 1 . . . . 76 lys CB . 17437 1 255 . 1 1 76 76 LYS N N 15 118.364 0.1 . 1 . . . . 76 lys N . 17437 1 256 . 1 1 77 77 GLY H H 1 8.335 0.02 . 1 . . . . 77 gly H . 17437 1 257 . 1 1 77 77 GLY CA C 13 44.542 0.2 . 1 . . . . 77 gly CA . 17437 1 258 . 1 1 77 77 GLY N N 15 107.453 0.1 . 1 . . . . 77 gly N . 17437 1 259 . 1 1 78 78 TYR H H 1 8.685 0.02 . 1 . . . . 78 tyr H . 17437 1 260 . 1 1 78 78 TYR CA C 13 56.075 0.2 . 1 . . . . 78 tyr CA . 17437 1 261 . 1 1 78 78 TYR CB C 13 41.652 0.2 . 1 . . . . 78 tyr CB . 17437 1 262 . 1 1 78 78 TYR N N 15 119.276 0.1 . 1 . . . . 78 tyr N . 17437 1 263 . 1 1 79 79 PHE H H 1 10.054 0.02 . 1 . . . . 79 phe H . 17437 1 264 . 1 1 79 79 PHE CA C 13 60.564 0.2 . 1 . . . . 79 phe CA . 17437 1 265 . 1 1 79 79 PHE CB C 13 39.420 0.2 . 1 . . . . 79 phe CB . 17437 1 266 . 1 1 79 79 PHE N N 15 122.525 0.1 . 1 . . . . 79 phe N . 17437 1 267 . 1 1 80 80 LEU H H 1 9.411 0.02 . 1 . . . . 80 leu H . 17437 1 268 . 1 1 80 80 LEU CA C 13 55.393 0.2 . 1 . . . . 80 leu CA . 17437 1 269 . 1 1 80 80 LEU CB C 13 41.580 0.2 . 1 . . . . 80 leu CB . 17437 1 270 . 1 1 80 80 LEU N N 15 125.864 0.1 . 1 . . . . 80 leu N . 17437 1 271 . 1 1 81 81 THR H H 1 7.479 0.02 . 1 . . . . 81 thr H . 17437 1 272 . 1 1 81 81 THR CA C 13 63.055 0.2 . 1 . . . . 81 thr CA . 17437 1 273 . 1 1 81 81 THR CB C 13 71.418 0.2 . 1 . . . . 81 thr CB . 17437 1 274 . 1 1 81 81 THR N N 15 118.554 0.1 . 1 . . . . 81 thr N . 17437 1 275 . 1 1 82 82 LYS H H 1 8.470 0.02 . 1 . . . . 82 lys H . 17437 1 276 . 1 1 82 82 LYS CA C 13 57.424 0.2 . 1 . . . . 82 lys CA . 17437 1 277 . 1 1 82 82 LYS CB C 13 32.020 0.2 . 1 . . . . 82 lys CB . 17437 1 278 . 1 1 82 82 LYS N N 15 127.550 0.1 . 1 . . . . 82 lys N . 17437 1 279 . 1 1 83 83 ILE H H 1 8.216 0.02 . 1 . . . . 83 ile H . 17437 1 280 . 1 1 83 83 ILE CA C 13 60.125 0.2 . 1 . . . . 83 ile CA . 17437 1 281 . 1 1 83 83 ILE CB C 13 41.485 0.2 . 1 . . . . 83 ile CB . 17437 1 282 . 1 1 83 83 ILE N N 15 120.974 0.1 . 1 . . . . 83 ile N . 17437 1 283 . 1 1 84 84 PHE H H 1 8.326 0.02 . 1 . . . . 84 phe H . 17437 1 284 . 1 1 84 84 PHE CA C 13 56.758 0.2 . 1 . . . . 84 phe CA . 17437 1 285 . 1 1 84 84 PHE CB C 13 40.034 0.2 . 1 . . . . 84 phe CB . 17437 1 286 . 1 1 84 84 PHE N N 15 127.814 0.1 . 1 . . . . 84 phe N . 17437 1 287 . 1 1 85 85 HIS H H 1 9.474 0.02 . 1 . . . . 85 his H . 17437 1 288 . 1 1 85 85 HIS N N 15 129.962 0.1 . 1 . . . . 85 his N . 17437 1 289 . 1 1 86 86 PRO CA C 13 65.465 0.2 . 1 . . . . 86 pro CA . 17437 1 290 . 1 1 86 86 PRO CB C 13 32.673 0.2 . 1 . . . . 86 pro CB . 17437 1 291 . 1 1 87 87 ASN H H 1 11.438 0.02 . 1 . . . . 87 asn H . 17437 1 292 . 1 1 87 87 ASN CA C 13 53.381 0.2 . 1 . . . . 87 asn CA . 17437 1 293 . 1 1 87 87 ASN CB C 13 41.128 0.2 . 1 . . . . 87 asn CB . 17437 1 294 . 1 1 87 87 ASN N N 15 116.818 0.1 . 1 . . . . 87 asn N . 17437 1 295 . 1 1 88 88 VAL H H 1 7.374 0.02 . 1 . . . . 88 val H . 17437 1 296 . 1 1 88 88 VAL CA C 13 60.767 0.2 . 1 . . . . 88 val CA . 17437 1 297 . 1 1 88 88 VAL CB C 13 34.067 0.2 . 1 . . . . 88 val CB . 17437 1 298 . 1 1 88 88 VAL N N 15 118.605 0.1 . 1 . . . . 88 val N . 17437 1 299 . 1 1 89 89 GLY H H 1 9.372 0.02 . 1 . . . . 89 gly H . 17437 1 300 . 1 1 89 89 GLY CA C 13 44.676 0.2 . 1 . . . . 89 gly CA . 17437 1 301 . 1 1 89 89 GLY N N 15 112.843 0.1 . 1 . . . . 89 gly N . 17437 1 302 . 1 1 90 90 ALA H H 1 8.819 0.02 . 1 . . . . 90 ala H . 17437 1 303 . 1 1 90 90 ALA CA C 13 55.122 0.2 . 1 . . . . 90 ala CA . 17437 1 304 . 1 1 90 90 ALA CB C 13 18.482 0.2 . 1 . . . . 90 ala CB . 17437 1 305 . 1 1 90 90 ALA N N 15 123.865 0.1 . 1 . . . . 90 ala N . 17437 1 306 . 1 1 91 91 ASN H H 1 8.702 0.02 . 1 . . . . 91 asn H . 17437 1 307 . 1 1 91 91 ASN CA C 13 52.427 0.2 . 1 . . . . 91 asn CA . 17437 1 308 . 1 1 91 91 ASN CB C 13 38.106 0.2 . 1 . . . . 91 asn CB . 17437 1 309 . 1 1 91 91 ASN N N 15 115.131 0.1 . 1 . . . . 91 asn N . 17437 1 310 . 1 1 92 92 GLY H H 1 8.214 0.02 . 1 . . . . 92 gly H . 17437 1 311 . 1 1 92 92 GLY CA C 13 45.544 0.2 . 1 . . . . 92 gly CA . 17437 1 312 . 1 1 92 92 GLY N N 15 107.109 0.1 . 1 . . . . 92 gly N . 17437 1 313 . 1 1 93 93 GLU H H 1 8.944 0.02 . 1 . . . . 93 glu H . 17437 1 314 . 1 1 93 93 GLU CA C 13 57.070 0.2 . 1 . . . . 93 glu CA . 17437 1 315 . 1 1 93 93 GLU CB C 13 29.771 0.2 . 1 . . . . 93 glu CB . 17437 1 316 . 1 1 93 93 GLU N N 15 123.339 0.1 . 1 . . . . 93 glu N . 17437 1 317 . 1 1 94 94 ILE H H 1 7.828 0.02 . 1 . . . . 94 ile H . 17437 1 318 . 1 1 94 94 ILE CA C 13 61.230 0.2 . 1 . . . . 94 ile CA . 17437 1 319 . 1 1 94 94 ILE CB C 13 38.731 0.2 . 1 . . . . 94 ile CB . 17437 1 320 . 1 1 94 94 ILE N N 15 124.667 0.1 . 1 . . . . 94 ile N . 17437 1 321 . 1 1 95 95 CYS H H 1 7.953 0.02 . 1 . . . . 95 cys H . 17437 1 322 . 1 1 95 95 CYS CA C 13 61.550 0.2 . 1 . . . . 95 cys CA . 17437 1 323 . 1 1 95 95 CYS CB C 13 30.109 0.2 . 1 . . . . 95 cys CB . 17437 1 324 . 1 1 95 95 CYS N N 15 128.950 0.1 . 1 . . . . 95 cys N . 17437 1 325 . 1 1 96 96 VAL H H 1 8.216 0.02 . 1 . . . . 96 val H . 17437 1 326 . 1 1 96 96 VAL CA C 13 64.141 0.2 . 1 . . . . 96 val CA . 17437 1 327 . 1 1 96 96 VAL CB C 13 31.935 0.2 . 1 . . . . 96 val CB . 17437 1 328 . 1 1 96 96 VAL N N 15 126.966 0.1 . 1 . . . . 96 val N . 17437 1 329 . 1 1 97 97 ASN H H 1 9.194 0.02 . 1 . . . . 97 asn H . 17437 1 330 . 1 1 97 97 ASN CA C 13 56.643 0.2 . 1 . . . . 97 asn CA . 17437 1 331 . 1 1 97 97 ASN CB C 13 38.038 0.2 . 1 . . . . 97 asn CB . 17437 1 332 . 1 1 97 97 ASN N N 15 122.796 0.1 . 1 . . . . 97 asn N . 17437 1 333 . 1 1 102 102 ASP CA C 13 54.452 0.2 . 1 . . . . 102 asp CA . 17437 1 334 . 1 1 102 102 ASP CB C 13 40.596 0.2 . 1 . . . . 102 asp CB . 17437 1 335 . 1 1 103 103 TRP H H 1 7.581 0.02 . 1 . . . . 103 trp H . 17437 1 336 . 1 1 103 103 TRP CA C 13 59.103 0.2 . 1 . . . . 103 trp CA . 17437 1 337 . 1 1 103 103 TRP CB C 13 30.198 0.2 . 1 . . . . 103 trp CB . 17437 1 338 . 1 1 103 103 TRP N N 15 119.480 0.1 . 1 . . . . 103 trp N . 17437 1 339 . 1 1 104 104 THR H H 1 5.865 0.02 . 1 . . . . 104 thr H . 17437 1 340 . 1 1 104 104 THR CA C 13 59.438 0.2 . 1 . . . . 104 thr CA . 17437 1 341 . 1 1 104 104 THR CB C 13 71.495 0.2 . 1 . . . . 104 thr CB . 17437 1 342 . 1 1 104 104 THR N N 15 117.751 0.1 . 1 . . . . 104 thr N . 17437 1 343 . 1 1 105 105 ALA H H 1 8.096 0.02 . 1 . . . . 105 ala H . 17437 1 344 . 1 1 105 105 ALA CA C 13 53.459 0.2 . 1 . . . . 105 ala CA . 17437 1 345 . 1 1 105 105 ALA CB C 13 18.667 0.2 . 1 . . . . 105 ala CB . 17437 1 346 . 1 1 105 105 ALA N N 15 120.079 0.1 . 1 . . . . 105 ala N . 17437 1 347 . 1 1 106 106 GLU H H 1 7.748 0.02 . 1 . . . . 106 glu H . 17437 1 348 . 1 1 106 106 GLU CA C 13 56.861 0.2 . 1 . . . . 106 glu CA . 17437 1 349 . 1 1 106 106 GLU CB C 13 29.523 0.2 . 1 . . . . 106 glu CB . 17437 1 350 . 1 1 106 106 GLU N N 15 114.810 0.1 . 1 . . . . 106 glu N . 17437 1 351 . 1 1 107 107 LEU H H 1 7.004 0.02 . 1 . . . . 107 leu H . 17437 1 352 . 1 1 107 107 LEU CA C 13 55.235 0.2 . 1 . . . . 107 leu CA . 17437 1 353 . 1 1 107 107 LEU CB C 13 40.894 0.2 . 1 . . . . 107 leu CB . 17437 1 354 . 1 1 107 107 LEU N N 15 120.908 0.1 . 1 . . . . 107 leu N . 17437 1 355 . 1 1 108 108 GLY H H 1 7.467 0.02 . 1 . . . . 108 gly H . 17437 1 356 . 1 1 108 108 GLY CA C 13 45.035 0.2 . 1 . . . . 108 gly CA . 17437 1 357 . 1 1 108 108 GLY N N 15 104.200 0.1 . 1 . . . . 108 gly N . 17437 1 358 . 1 1 109 109 ILE H H 1 10.244 0.02 . 1 . . . . 109 ile H . 17437 1 359 . 1 1 109 109 ILE CA C 13 64.599 0.2 . 1 . . . . 109 ile CA . 17437 1 360 . 1 1 109 109 ILE CB C 13 37.574 0.2 . 1 . . . . 109 ile CB . 17437 1 361 . 1 1 109 109 ILE N N 15 121.445 0.1 . 1 . . . . 109 ile N . 17437 1 362 . 1 1 110 110 ARG H H 1 9.572 0.02 . 1 . . . . 110 arg H . 17437 1 363 . 1 1 110 110 ARG CA C 13 61.057 0.2 . 1 . . . . 110 arg CA . 17437 1 364 . 1 1 110 110 ARG CB C 13 30.532 0.2 . 1 . . . . 110 arg CB . 17437 1 365 . 1 1 110 110 ARG N N 15 121.807 0.1 . 1 . . . . 110 arg N . 17437 1 366 . 1 1 111 111 HIS H H 1 7.853 0.02 . 1 . . . . 111 his H . 17437 1 367 . 1 1 111 111 HIS CA C 13 60.627 0.2 . 1 . . . . 111 his CA . 17437 1 368 . 1 1 111 111 HIS CB C 13 31.997 0.2 . 1 . . . . 111 his CB . 17437 1 369 . 1 1 111 111 HIS N N 15 115.863 0.1 . 1 . . . . 111 his N . 17437 1 370 . 1 1 112 112 VAL H H 1 7.879 0.02 . 1 . . . . 112 val H . 17437 1 371 . 1 1 112 112 VAL CA C 13 66.282 0.2 . 1 . . . . 112 val CA . 17437 1 372 . 1 1 112 112 VAL CB C 13 31.408 0.2 . 1 . . . . 112 val CB . 17437 1 373 . 1 1 112 112 VAL N N 15 121.029 0.1 . 1 . . . . 112 val N . 17437 1 374 . 1 1 113 113 LEU H H 1 8.081 0.02 . 1 . . . . 113 leu H . 17437 1 375 . 1 1 113 113 LEU CA C 13 58.128 0.2 . 1 . . . . 113 leu CA . 17437 1 376 . 1 1 113 113 LEU CB C 13 40.912 0.2 . 1 . . . . 113 leu CB . 17437 1 377 . 1 1 113 113 LEU N N 15 118.590 0.1 . 1 . . . . 113 leu N . 17437 1 378 . 1 1 114 114 LEU H H 1 8.168 0.02 . 1 . . . . 114 leu H . 17437 1 379 . 1 1 114 114 LEU CA C 13 58.023 0.2 . 1 . . . . 114 leu CA . 17437 1 380 . 1 1 114 114 LEU CB C 13 40.995 0.2 . 1 . . . . 114 leu CB . 17437 1 381 . 1 1 114 114 LEU N N 15 118.837 0.1 . 1 . . . . 114 leu N . 17437 1 382 . 1 1 115 115 THR H H 1 8.281 0.02 . 1 . . . . 115 thr H . 17437 1 383 . 1 1 115 115 THR CA C 13 67.275 0.2 . 1 . . . . 115 thr CA . 17437 1 384 . 1 1 115 115 THR CB C 13 68.034 0.2 . 1 . . . . 115 thr CB . 17437 1 385 . 1 1 115 115 THR N N 15 118.863 0.1 . 1 . . . . 115 thr N . 17437 1 386 . 1 1 116 116 ILE H H 1 8.131 0.02 . 1 . . . . 116 ile H . 17437 1 387 . 1 1 116 116 ILE CA C 13 65.992 0.2 . 1 . . . . 116 ile CA . 17437 1 388 . 1 1 116 116 ILE CB C 13 37.440 0.2 . 1 . . . . 116 ile CB . 17437 1 389 . 1 1 116 116 ILE N N 15 123.284 0.1 . 1 . . . . 116 ile N . 17437 1 390 . 1 1 117 117 LYS H H 1 7.999 0.02 . 1 . . . . 117 lys H . 17437 1 391 . 1 1 117 117 LYS CA C 13 61.231 0.2 . 1 . . . . 117 lys CA . 17437 1 392 . 1 1 117 117 LYS CB C 13 32.451 0.2 . 1 . . . . 117 lys CB . 17437 1 393 . 1 1 117 117 LYS N N 15 119.706 0.1 . 1 . . . . 117 lys N . 17437 1 394 . 1 1 118 118 CYS H H 1 8.141 0.02 . 1 . . . . 118 cys H . 17437 1 395 . 1 1 118 118 CYS CA C 13 63.329 0.2 . 1 . . . . 118 cys CA . 17437 1 396 . 1 1 118 118 CYS CB C 13 26.487 0.2 . 1 . . . . 118 cys CB . 17437 1 397 . 1 1 118 118 CYS N N 15 115.167 0.1 . 1 . . . . 118 cys N . 17437 1 398 . 1 1 119 119 LEU H H 1 8.117 0.02 . 1 . . . . 119 leu H . 17437 1 399 . 1 1 119 119 LEU CA C 13 56.714 0.2 . 1 . . . . 119 leu CA . 17437 1 400 . 1 1 119 119 LEU CB C 13 42.515 0.2 . 1 . . . . 119 leu CB . 17437 1 401 . 1 1 119 119 LEU N N 15 122.022 0.1 . 1 . . . . 119 leu N . 17437 1 402 . 1 1 120 120 LEU H H 1 7.703 0.02 . 1 . . . . 120 leu H . 17437 1 403 . 1 1 120 120 LEU CA C 13 58.253 0.2 . 1 . . . . 120 leu CA . 17437 1 404 . 1 1 120 120 LEU CB C 13 41.238 0.2 . 1 . . . . 120 leu CB . 17437 1 405 . 1 1 120 120 LEU N N 15 118.902 0.1 . 1 . . . . 120 leu N . 17437 1 406 . 1 1 121 121 ILE H H 1 7.137 0.02 . 1 . . . . 121 ile H . 17437 1 407 . 1 1 121 121 ILE CA C 13 63.790 0.2 . 1 . . . . 121 ile CA . 17437 1 408 . 1 1 121 121 ILE CB C 13 39.668 0.2 . 1 . . . . 121 ile CB . 17437 1 409 . 1 1 121 121 ILE N N 15 117.032 0.1 . 1 . . . . 121 ile N . 17437 1 410 . 1 1 122 122 HIS H H 1 8.562 0.02 . 1 . . . . 122 his H . 17437 1 411 . 1 1 122 122 HIS N N 15 116.776 0.1 . 1 . . . . 122 his N . 17437 1 412 . 1 1 125 125 PRO CA C 13 67.450 0.2 . 1 . . . . 125 pro CA . 17437 1 413 . 1 1 125 125 PRO CB C 13 31.328 0.2 . 1 . . . . 125 pro CB . 17437 1 414 . 1 1 126 126 GLU H H 1 8.162 0.02 . 1 . . . . 126 glu H . 17437 1 415 . 1 1 126 126 GLU CA C 13 58.897 0.2 . 1 . . . . 126 glu CA . 17437 1 416 . 1 1 126 126 GLU CB C 13 30.377 0.2 . 1 . . . . 126 glu CB . 17437 1 417 . 1 1 126 126 GLU N N 15 116.221 0.1 . 1 . . . . 126 glu N . 17437 1 418 . 1 1 127 127 SER H H 1 8.145 0.02 . 1 . . . . 127 ser H . 17437 1 419 . 1 1 127 127 SER CA C 13 57.042 0.2 . 1 . . . . 127 ser CA . 17437 1 420 . 1 1 127 127 SER CB C 13 62.242 0.2 . 1 . . . . 127 ser CB . 17437 1 421 . 1 1 127 127 SER N N 15 116.162 0.1 . 1 . . . . 127 ser N . 17437 1 422 . 1 1 128 128 ALA H H 1 7.754 0.02 . 1 . . . . 128 ala H . 17437 1 423 . 1 1 128 128 ALA CA C 13 52.990 0.2 . 1 . . . . 128 ala CA . 17437 1 424 . 1 1 128 128 ALA CB C 13 19.521 0.2 . 1 . . . . 128 ala CB . 17437 1 425 . 1 1 128 128 ALA N N 15 123.597 0.1 . 1 . . . . 128 ala N . 17437 1 426 . 1 1 129 129 LEU H H 1 7.961 0.02 . 1 . . . . 129 leu H . 17437 1 427 . 1 1 129 129 LEU CA C 13 56.085 0.2 . 1 . . . . 129 leu CA . 17437 1 428 . 1 1 129 129 LEU CB C 13 43.576 0.2 . 1 . . . . 129 leu CB . 17437 1 429 . 1 1 129 129 LEU N N 15 123.584 0.1 . 1 . . . . 129 leu N . 17437 1 430 . 1 1 130 130 ASN H H 1 7.827 0.02 . 1 . . . . 130 asn H . 17437 1 431 . 1 1 130 130 ASN CA C 13 51.502 0.2 . 1 . . . . 130 asn CA . 17437 1 432 . 1 1 130 130 ASN CB C 13 37.734 0.2 . 1 . . . . 130 asn CB . 17437 1 433 . 1 1 130 130 ASN N N 15 116.830 0.1 . 1 . . . . 130 asn N . 17437 1 434 . 1 1 131 131 GLU H H 1 8.790 0.02 . 1 . . . . 131 glu H . 17437 1 435 . 1 1 131 131 GLU CA C 13 59.608 0.2 . 1 . . . . 131 glu CA . 17437 1 436 . 1 1 131 131 GLU CB C 13 29.639 0.2 . 1 . . . . 131 glu CB . 17437 1 437 . 1 1 131 131 GLU N N 15 124.136 0.1 . 1 . . . . 131 glu N . 17437 1 438 . 1 1 132 132 GLU H H 1 8.330 0.02 . 1 . . . . 132 glu H . 17437 1 439 . 1 1 132 132 GLU CA C 13 59.310 0.2 . 1 . . . . 132 glu CA . 17437 1 440 . 1 1 132 132 GLU CB C 13 29.773 0.2 . 1 . . . . 132 glu CB . 17437 1 441 . 1 1 132 132 GLU N N 15 120.899 0.1 . 1 . . . . 132 glu N . 17437 1 442 . 1 1 133 133 ALA H H 1 7.189 0.02 . 1 . . . . 133 ala H . 17437 1 443 . 1 1 133 133 ALA CA C 13 54.873 0.2 . 1 . . . . 133 ala CA . 17437 1 444 . 1 1 133 133 ALA CB C 13 16.332 0.2 . 1 . . . . 133 ala CB . 17437 1 445 . 1 1 133 133 ALA N N 15 119.217 0.1 . 1 . . . . 133 ala N . 17437 1 446 . 1 1 134 134 GLY H H 1 8.265 0.02 . 1 . . . . 134 gly H . 17437 1 447 . 1 1 134 134 GLY CA C 13 47.597 0.2 . 1 . . . . 134 gly CA . 17437 1 448 . 1 1 134 134 GLY N N 15 102.717 0.1 . 1 . . . . 134 gly N . 17437 1 449 . 1 1 135 135 ARG H H 1 8.125 0.02 . 1 . . . . 135 arg H . 17437 1 450 . 1 1 135 135 ARG CA C 13 59.326 0.2 . 1 . . . . 135 arg CA . 17437 1 451 . 1 1 135 135 ARG CB C 13 30.028 0.2 . 1 . . . . 135 arg CB . 17437 1 452 . 1 1 135 135 ARG N N 15 120.370 0.1 . 1 . . . . 135 arg N . 17437 1 453 . 1 1 136 136 LEU H H 1 8.173 0.02 . 1 . . . . 136 leu H . 17437 1 454 . 1 1 136 136 LEU CA C 13 57.749 0.2 . 1 . . . . 136 leu CA . 17437 1 455 . 1 1 136 136 LEU CB C 13 43.190 0.2 . 1 . . . . 136 leu CB . 17437 1 456 . 1 1 136 136 LEU N N 15 118.277 0.1 . 1 . . . . 136 leu N . 17437 1 457 . 1 1 137 137 LEU H H 1 7.833 0.02 . 1 . . . . 137 leu H . 17437 1 458 . 1 1 137 137 LEU CA C 13 59.133 0.2 . 1 . . . . 137 leu CA . 17437 1 459 . 1 1 137 137 LEU CB C 13 41.834 0.2 . 1 . . . . 137 leu CB . 17437 1 460 . 1 1 137 137 LEU N N 15 118.388 0.1 . 1 . . . . 137 leu N . 17437 1 461 . 1 1 138 138 LEU H H 1 6.893 0.02 . 1 . . . . 138 leu H . 17437 1 462 . 1 1 138 138 LEU CA C 13 56.480 0.2 . 1 . . . . 138 leu CA . 17437 1 463 . 1 1 138 138 LEU CB C 13 43.376 0.2 . 1 . . . . 138 leu CB . 17437 1 464 . 1 1 138 138 LEU N N 15 113.263 0.1 . 1 . . . . 138 leu N . 17437 1 465 . 1 1 139 139 GLU H H 1 8.507 0.02 . 1 . . . . 139 glu H . 17437 1 466 . 1 1 139 139 GLU CA C 13 58.088 0.2 . 1 . . . . 139 glu CA . 17437 1 467 . 1 1 139 139 GLU CB C 13 31.597 0.2 . 1 . . . . 139 glu CB . 17437 1 468 . 1 1 139 139 GLU N N 15 117.674 0.1 . 1 . . . . 139 glu N . 17437 1 469 . 1 1 140 140 ASN H H 1 9.150 0.02 . 1 . . . . 140 asn H . 17437 1 470 . 1 1 140 140 ASN CA C 13 52.588 0.2 . 1 . . . . 140 asn CA . 17437 1 471 . 1 1 140 140 ASN CB C 13 37.679 0.2 . 1 . . . . 140 asn CB . 17437 1 472 . 1 1 140 140 ASN N N 15 118.427 0.1 . 1 . . . . 140 asn N . 17437 1 473 . 1 1 141 141 TYR H H 1 9.144 0.02 . 1 . . . . 141 tyr H . 17437 1 474 . 1 1 141 141 TYR CA C 13 63.421 0.2 . 1 . . . . 141 tyr CA . 17437 1 475 . 1 1 141 141 TYR CB C 13 38.655 0.2 . 1 . . . . 141 tyr CB . 17437 1 476 . 1 1 141 141 TYR N N 15 126.860 0.1 . 1 . . . . 141 tyr N . 17437 1 477 . 1 1 142 142 GLU H H 1 8.720 0.02 . 1 . . . . 142 glu H . 17437 1 478 . 1 1 142 142 GLU CA C 13 59.705 0.2 . 1 . . . . 142 glu CA . 17437 1 479 . 1 1 142 142 GLU CB C 13 29.055 0.2 . 1 . . . . 142 glu CB . 17437 1 480 . 1 1 142 142 GLU N N 15 115.598 0.1 . 1 . . . . 142 glu N . 17437 1 481 . 1 1 143 143 GLU H H 1 7.614 0.02 . 1 . . . . 143 glu H . 17437 1 482 . 1 1 143 143 GLU CA C 13 58.407 0.2 . 1 . . . . 143 glu CA . 17437 1 483 . 1 1 143 143 GLU CB C 13 29.667 0.2 . 1 . . . . 143 glu CB . 17437 1 484 . 1 1 143 143 GLU N N 15 121.083 0.1 . 1 . . . . 143 glu N . 17437 1 485 . 1 1 144 144 TYR H H 1 7.795 0.02 . 1 . . . . 144 tyr H . 17437 1 486 . 1 1 144 144 TYR CA C 13 61.282 0.2 . 1 . . . . 144 tyr CA . 17437 1 487 . 1 1 144 144 TYR CB C 13 36.566 0.2 . 1 . . . . 144 tyr CB . 17437 1 488 . 1 1 144 144 TYR N N 15 121.321 0.1 . 1 . . . . 144 tyr N . 17437 1 489 . 1 1 145 145 ALA H H 1 8.664 0.02 . 1 . . . . 145 ala H . 17437 1 490 . 1 1 145 145 ALA CA C 13 54.949 0.2 . 1 . . . . 145 ala CA . 17437 1 491 . 1 1 145 145 ALA CB C 13 17.393 0.2 . 1 . . . . 145 ala CB . 17437 1 492 . 1 1 145 145 ALA N N 15 121.449 0.1 . 1 . . . . 145 ala N . 17437 1 493 . 1 1 146 146 ALA H H 1 7.830 0.02 . 1 . . . . 146 ala H . 17437 1 494 . 1 1 146 146 ALA CA C 13 55.138 0.2 . 1 . . . . 146 ala CA . 17437 1 495 . 1 1 146 146 ALA CB C 13 18.117 0.2 . 1 . . . . 146 ala CB . 17437 1 496 . 1 1 146 146 ALA N N 15 119.580 0.1 . 1 . . . . 146 ala N . 17437 1 497 . 1 1 147 147 ARG H H 1 7.830 0.02 . 1 . . . . 147 arg H . 17437 1 498 . 1 1 147 147 ARG CA C 13 58.324 0.2 . 1 . . . . 147 arg CA . 17437 1 499 . 1 1 147 147 ARG CB C 13 29.100 0.2 . 1 . . . . 147 arg CB . 17437 1 500 . 1 1 147 147 ARG N N 15 119.590 0.1 . 1 . . . . 147 arg N . 17437 1 501 . 1 1 148 148 ALA H H 1 8.439 0.02 . 1 . . . . 148 ala H . 17437 1 502 . 1 1 148 148 ALA CA C 13 54.929 0.2 . 1 . . . . 148 ala CA . 17437 1 503 . 1 1 148 148 ALA CB C 13 17.719 0.2 . 1 . . . . 148 ala CB . 17437 1 504 . 1 1 148 148 ALA N N 15 120.467 0.1 . 1 . . . . 148 ala N . 17437 1 505 . 1 1 149 149 ARG H H 1 8.521 0.02 . 1 . . . . 149 arg H . 17437 1 506 . 1 1 149 149 ARG CA C 13 59.076 0.2 . 1 . . . . 149 arg CA . 17437 1 507 . 1 1 149 149 ARG CB C 13 30.570 0.2 . 1 . . . . 149 arg CB . 17437 1 508 . 1 1 149 149 ARG N N 15 120.932 0.1 . 1 . . . . 149 arg N . 17437 1 509 . 1 1 150 150 LEU H H 1 7.854 0.02 . 1 . . . . 150 leu H . 17437 1 510 . 1 1 150 150 LEU CA C 13 57.940 0.2 . 1 . . . . 150 leu CA . 17437 1 511 . 1 1 150 150 LEU CB C 13 41.747 0.2 . 1 . . . . 150 leu CB . 17437 1 512 . 1 1 150 150 LEU N N 15 121.334 0.1 . 1 . . . . 150 leu N . 17437 1 513 . 1 1 151 151 LEU H H 1 7.664 0.02 . 1 . . . . 151 leu H . 17437 1 514 . 1 1 151 151 LEU CA C 13 57.347 0.2 . 1 . . . . 151 leu CA . 17437 1 515 . 1 1 151 151 LEU CB C 13 41.275 0.2 . 1 . . . . 151 leu CB . 17437 1 516 . 1 1 151 151 LEU N N 15 116.157 0.1 . 1 . . . . 151 leu N . 17437 1 517 . 1 1 152 152 THR H H 1 7.902 0.02 . 1 . . . . 152 thr H . 17437 1 518 . 1 1 152 152 THR CA C 13 67.049 0.2 . 1 . . . . 152 thr CA . 17437 1 519 . 1 1 152 152 THR CB C 13 68.634 0.2 . 1 . . . . 152 thr CB . 17437 1 520 . 1 1 152 152 THR N N 15 120.878 0.1 . 1 . . . . 152 thr N . 17437 1 521 . 1 1 153 153 GLU H H 1 8.304 0.02 . 1 . . . . 153 glu H . 17437 1 522 . 1 1 153 153 GLU CA C 13 58.370 0.2 . 1 . . . . 153 glu CA . 17437 1 523 . 1 1 153 153 GLU CB C 13 29.550 0.2 . 1 . . . . 153 glu CB . 17437 1 524 . 1 1 153 153 GLU N N 15 124.238 0.1 . 1 . . . . 153 glu N . 17437 1 525 . 1 1 154 154 ILE H H 1 7.894 0.02 . 1 . . . . 154 ile H . 17437 1 526 . 1 1 154 154 ILE CA C 13 63.245 0.2 . 1 . . . . 154 ile CA . 17437 1 527 . 1 1 154 154 ILE CB C 13 39.359 0.2 . 1 . . . . 154 ile CB . 17437 1 528 . 1 1 154 154 ILE N N 15 118.884 0.1 . 1 . . . . 154 ile N . 17437 1 529 . 1 1 155 155 HIS H H 1 8.213 0.02 . 1 . . . . 155 his H . 17437 1 530 . 1 1 155 155 HIS CA C 13 56.861 0.2 . 1 . . . . 155 his CA . 17437 1 531 . 1 1 155 155 HIS CB C 13 32.108 0.2 . 1 . . . . 155 his CB . 17437 1 532 . 1 1 155 155 HIS N N 15 118.243 0.1 . 1 . . . . 155 his N . 17437 1 533 . 1 1 156 156 GLY H H 1 8.230 0.02 . 1 . . . . 156 gly H . 17437 1 534 . 1 1 156 156 GLY N N 15 115.689 0.1 . 1 . . . . 156 gly N . 17437 1 stop_ save_