################################### # 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 25077 _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' . . . 25077 1 2 '3D HNCO' . . . 25077 1 3 '3D HNCACB' . . . 25077 1 4 '3D CBCA(CO)NH' . . . 25077 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 4 4 PRO CA C 13 63.297 0.000 . 1 . . . . 5 Pro CA . 25077 1 2 . 1 1 4 4 PRO CB C 13 32.053 0.012 . 1 . . . . 5 Pro CB . 25077 1 3 . 1 1 5 5 GLU H H 1 8.410 0.003 . 1 . . . . 6 Glu H . 25077 1 4 . 1 1 5 5 GLU C C 13 176.805 0.000 . 1 . . . . 6 Glu C . 25077 1 5 . 1 1 5 5 GLU CA C 13 56.573 0.013 . 1 . . . . 6 Glu CA . 25077 1 6 . 1 1 5 5 GLU CB C 13 30.220 0.026 . 1 . . . . 6 Glu CB . 25077 1 7 . 1 1 5 5 GLU N N 15 120.765 0.122 . 1 . . . . 6 Glu N . 25077 1 8 . 1 1 6 6 LYS H H 1 8.226 0.001 . 1 . . . . 7 Lys H . 25077 1 9 . 1 1 6 6 LYS C C 13 176.164 0.000 . 1 . . . . 7 Lys C . 25077 1 10 . 1 1 6 6 LYS CA C 13 53.950 0.000 . 1 . . . . 7 Lys CA . 25077 1 11 . 1 1 6 6 LYS CB C 13 32.612 0.000 . 1 . . . . 7 Lys CB . 25077 1 12 . 1 1 6 6 LYS N N 15 123.292 0.021 . 1 . . . . 7 Lys N . 25077 1 13 . 1 1 7 7 PRO CA C 13 62.906 0.000 . 1 . . . . 8 Pro CA . 25077 1 14 . 1 1 7 7 PRO CB C 13 32.100 0.000 . 1 . . . . 8 Pro CB . 25077 1 15 . 1 1 8 8 THR H H 1 8.300 0.001 . 1 . . . . 9 Thr H . 25077 1 16 . 1 1 8 8 THR C C 13 176.794 0.000 . 1 . . . . 9 Thr C . 25077 1 17 . 1 1 8 8 THR CA C 13 59.693 0.000 . 1 . . . . 9 Thr CA . 25077 1 18 . 1 1 8 8 THR CB C 13 69.626 0.000 . 1 . . . . 9 Thr CB . 25077 1 19 . 1 1 8 8 THR N N 15 116.995 0.017 . 1 . . . . 9 Thr N . 25077 1 20 . 1 1 10 10 ASN CA C 13 53.373 0.089 . 1 . . . . 11 Asn CA . 25077 1 21 . 1 1 10 10 ASN CB C 13 38.779 0.092 . 1 . . . . 11 Asn CB . 25077 1 22 . 1 1 11 11 GLY H H 1 8.343 0.003 . 1 . . . . 12 Gly H . 25077 1 23 . 1 1 11 11 GLY C C 13 175.773 0.000 . 1 . . . . 12 Gly C . 25077 1 24 . 1 1 11 11 GLY CA C 13 45.493 0.015 . 1 . . . . 12 Gly CA . 25077 1 25 . 1 1 11 11 GLY N N 15 109.445 0.015 . 1 . . . . 12 Gly N . 25077 1 26 . 1 1 12 12 GLY H H 1 8.162 0.001 . 1 . . . . 13 Gly H . 25077 1 27 . 1 1 12 12 GLY C C 13 174.537 0.000 . 1 . . . . 13 Gly C . 25077 1 28 . 1 1 12 12 GLY CA C 13 44.930 0.009 . 1 . . . . 13 Gly CA . 25077 1 29 . 1 1 12 12 GLY N N 15 108.402 0.004 . 1 . . . . 13 Gly N . 25077 1 30 . 1 1 13 13 ILE H H 1 7.965 0.005 . 1 . . . . 14 Ile H . 25077 1 31 . 1 1 13 13 ILE C C 13 173.593 0.000 . 1 . . . . 14 Ile C . 25077 1 32 . 1 1 13 13 ILE CA C 13 55.337 0.000 . 1 . . . . 14 Ile CA . 25077 1 33 . 1 1 13 13 ILE CB C 13 38.713 0.000 . 1 . . . . 14 Ile CB . 25077 1 34 . 1 1 13 13 ILE N N 15 121.529 0.048 . 1 . . . . 14 Ile N . 25077 1 35 . 1 1 15 15 HIS CA C 13 55.714 0.015 . 1 . . . . 16 His CA . 25077 1 36 . 1 1 15 15 HIS CB C 13 29.657 0.007 . 1 . . . . 16 His CB . 25077 1 37 . 1 1 16 16 ASP H H 1 8.451 0.001 . 1 . . . . 17 Asp H . 25077 1 38 . 1 1 16 16 ASP C C 13 175.274 0.000 . 1 . . . . 17 Asp C . 25077 1 39 . 1 1 16 16 ASP CA C 13 54.277 0.064 . 1 . . . . 17 Asp CA . 25077 1 40 . 1 1 16 16 ASP CB C 13 41.268 0.022 . 1 . . . . 17 Asp CB . 25077 1 41 . 1 1 16 16 ASP N N 15 121.772 0.030 . 1 . . . . 17 Asp N . 25077 1 42 . 1 1 17 17 ASN H H 1 8.428 0.002 . 1 . . . . 18 Asn H . 25077 1 43 . 1 1 17 17 ASN C C 13 175.503 0.000 . 1 . . . . 18 Asn C . 25077 1 44 . 1 1 17 17 ASN CA C 13 53.355 0.025 . 1 . . . . 18 Asn CA . 25077 1 45 . 1 1 17 17 ASN CB C 13 38.611 0.004 . 1 . . . . 18 Asn CB . 25077 1 46 . 1 1 17 17 ASN N N 15 118.594 0.035 . 1 . . . . 18 Asn N . 25077 1 47 . 1 1 18 18 LEU H H 1 7.660 0.001 . 1 . . . . 19 Leu H . 25077 1 48 . 1 1 18 18 LEU C C 13 173.758 0.000 . 1 . . . . 19 Leu C . 25077 1 49 . 1 1 18 18 LEU CA C 13 53.944 0.024 . 1 . . . . 19 Leu CA . 25077 1 50 . 1 1 18 18 LEU CB C 13 43.342 0.006 . 1 . . . . 19 Leu CB . 25077 1 51 . 1 1 18 18 LEU N N 15 119.664 0.023 . 1 . . . . 19 Leu N . 25077 1 52 . 1 1 19 19 VAL H H 1 9.130 0.004 . 1 . . . . 20 Val H . 25077 1 53 . 1 1 19 19 VAL C C 13 176.798 0.000 . 1 . . . . 20 Val C . 25077 1 54 . 1 1 19 19 VAL CA C 13 61.361 0.043 . 1 . . . . 20 Val CA . 25077 1 55 . 1 1 19 19 VAL CB C 13 35.117 0.025 . 1 . . . . 20 Val CB . 25077 1 56 . 1 1 19 19 VAL N N 15 122.045 0.022 . 1 . . . . 20 Val N . 25077 1 57 . 1 1 20 20 LEU H H 1 8.209 0.001 . 1 . . . . 21 Leu H . 25077 1 58 . 1 1 20 20 LEU C C 13 173.721 0.000 . 1 . . . . 21 Leu C . 25077 1 59 . 1 1 20 20 LEU CA C 13 54.191 0.016 . 1 . . . . 21 Leu CA . 25077 1 60 . 1 1 20 20 LEU CB C 13 43.001 0.048 . 1 . . . . 21 Leu CB . 25077 1 61 . 1 1 20 20 LEU N N 15 129.063 0.015 . 1 . . . . 21 Leu N . 25077 1 62 . 1 1 21 21 ILE H H 1 9.318 0.003 . 1 . . . . 22 Ile H . 25077 1 63 . 1 1 21 21 ILE C C 13 175.054 0.000 . 1 . . . . 22 Ile C . 25077 1 64 . 1 1 21 21 ILE CA C 13 59.248 0.021 . 1 . . . . 22 Ile CA . 25077 1 65 . 1 1 21 21 ILE CB C 13 40.081 0.023 . 1 . . . . 22 Ile CB . 25077 1 66 . 1 1 21 21 ILE N N 15 130.238 0.027 . 1 . . . . 22 Ile N . 25077 1 67 . 1 1 22 22 ARG H H 1 8.329 0.001 . 1 . . . . 23 Arg H . 25077 1 68 . 1 1 22 22 ARG C C 13 174.426 0.000 . 1 . . . . 23 Arg C . 25077 1 69 . 1 1 22 22 ARG CA C 13 54.041 0.028 . 1 . . . . 23 Arg CA . 25077 1 70 . 1 1 22 22 ARG CB C 13 33.768 0.033 . 1 . . . . 23 Arg CB . 25077 1 71 . 1 1 22 22 ARG N N 15 125.575 0.024 . 1 . . . . 23 Arg N . 25077 1 72 . 1 1 23 23 MET H H 1 8.809 0.001 . 1 . . . . 24 Met H . 25077 1 73 . 1 1 23 23 MET C C 13 175.265 0.000 . 1 . . . . 24 Met C . 25077 1 74 . 1 1 23 23 MET CA C 13 54.868 0.015 . 1 . . . . 24 Met CA . 25077 1 75 . 1 1 23 23 MET CB C 13 37.561 0.020 . 1 . . . . 24 Met CB . 25077 1 76 . 1 1 23 23 MET N N 15 118.038 0.051 . 1 . . . . 24 Met N . 25077 1 77 . 1 1 24 24 LYS H H 1 8.590 0.002 . 1 . . . . 25 Lys H . 25077 1 78 . 1 1 24 24 LYS C C 13 173.005 0.000 . 1 . . . . 25 Lys C . 25077 1 79 . 1 1 24 24 LYS CA C 13 53.705 0.000 . 1 . . . . 25 Lys CA . 25077 1 80 . 1 1 24 24 LYS CB C 13 33.408 0.000 . 1 . . . . 25 Lys CB . 25077 1 81 . 1 1 24 24 LYS N N 15 122.162 0.015 . 1 . . . . 25 Lys N . 25077 1 82 . 1 1 25 25 PRO CA C 13 62.041 0.088 . 1 . . . . 26 Pro CA . 25077 1 83 . 1 1 25 25 PRO CB C 13 31.288 0.000 . 1 . . . . 26 Pro CB . 25077 1 84 . 1 1 26 26 ASP H H 1 8.240 0.002 . 1 . . . . 27 Asp H . 25077 1 85 . 1 1 26 26 ASP C C 13 176.612 0.000 . 1 . . . . 27 Asp C . 25077 1 86 . 1 1 26 26 ASP CA C 13 52.287 0.026 . 1 . . . . 27 Asp CA . 25077 1 87 . 1 1 26 26 ASP CB C 13 40.730 0.012 . 1 . . . . 27 Asp CB . 25077 1 88 . 1 1 26 26 ASP N N 15 118.344 0.115 . 1 . . . . 27 Asp N . 25077 1 89 . 1 1 27 27 GLU H H 1 9.037 0.002 . 1 . . . . 28 Glu H . 25077 1 90 . 1 1 27 27 GLU C C 13 178.160 0.000 . 1 . . . . 28 Glu C . 25077 1 91 . 1 1 27 27 GLU CA C 13 58.668 0.029 . 1 . . . . 28 Glu CA . 25077 1 92 . 1 1 27 27 GLU CB C 13 28.712 0.013 . 1 . . . . 28 Glu CB . 25077 1 93 . 1 1 27 27 GLU N N 15 117.103 0.019 . 1 . . . . 28 Glu N . 25077 1 94 . 1 1 28 28 ASN H H 1 8.318 0.004 . 1 . . . . 29 Asn H . 25077 1 95 . 1 1 28 28 ASN C C 13 176.685 0.000 . 1 . . . . 29 Asn C . 25077 1 96 . 1 1 28 28 ASN CA C 13 52.767 0.027 . 1 . . . . 29 Asn CA . 25077 1 97 . 1 1 28 28 ASN CB C 13 39.756 0.002 . 1 . . . . 29 Asn CB . 25077 1 98 . 1 1 28 28 ASN N N 15 116.965 0.142 . 1 . . . . 29 Asn N . 25077 1 99 . 1 1 29 29 GLY H H 1 8.190 0.001 . 1 . . . . 30 Gly H . 25077 1 100 . 1 1 29 29 GLY C C 13 175.250 0.000 . 1 . . . . 30 Gly C . 25077 1 101 . 1 1 29 29 GLY CA C 13 46.021 0.022 . 1 . . . . 30 Gly CA . 25077 1 102 . 1 1 29 29 GLY N N 15 108.976 0.020 . 1 . . . . 30 Gly N . 25077 1 103 . 1 1 30 30 ARG H H 1 8.068 0.001 . 1 . . . . 31 Arg H . 25077 1 104 . 1 1 30 30 ARG C C 13 173.221 0.000 . 1 . . . . 31 Arg C . 25077 1 105 . 1 1 30 30 ARG CA C 13 54.915 0.009 . 1 . . . . 31 Arg CA . 25077 1 106 . 1 1 30 30 ARG CB C 13 32.373 0.009 . 1 . . . . 31 Arg CB . 25077 1 107 . 1 1 30 30 ARG N N 15 118.834 0.017 . 1 . . . . 31 Arg N . 25077 1 108 . 1 1 31 31 PHE H H 1 8.671 0.004 . 1 . . . . 32 Phe H . 25077 1 109 . 1 1 31 31 PHE C C 13 176.050 0.000 . 1 . . . . 32 Phe C . 25077 1 110 . 1 1 31 31 PHE CA C 13 59.566 0.042 . 1 . . . . 32 Phe CA . 25077 1 111 . 1 1 31 31 PHE CB C 13 42.562 0.053 . 1 . . . . 32 Phe CB . 25077 1 112 . 1 1 31 31 PHE N N 15 115.977 0.048 . 1 . . . . 32 Phe N . 25077 1 113 . 1 1 32 32 GLY H H 1 8.133 0.003 . 1 . . . . 33 Gly H . 25077 1 114 . 1 1 32 32 GLY C C 13 176.393 0.000 . 1 . . . . 33 Gly C . 25077 1 115 . 1 1 32 32 GLY CA C 13 45.260 0.014 . 1 . . . . 33 Gly CA . 25077 1 116 . 1 1 32 32 GLY N N 15 104.567 0.034 . 1 . . . . 33 Gly N . 25077 1 117 . 1 1 33 33 PHE H H 1 7.018 0.002 . 1 . . . . 34 Phe H . 25077 1 118 . 1 1 33 33 PHE C C 13 173.199 0.000 . 1 . . . . 34 Phe C . 25077 1 119 . 1 1 33 33 PHE CA C 13 53.828 0.017 . 1 . . . . 34 Phe CA . 25077 1 120 . 1 1 33 33 PHE CB C 13 43.227 0.017 . 1 . . . . 34 Phe CB . 25077 1 121 . 1 1 33 33 PHE N N 15 112.339 0.027 . 1 . . . . 34 Phe N . 25077 1 122 . 1 1 34 34 ASN H H 1 8.617 0.002 . 1 . . . . 35 Asn H . 25077 1 123 . 1 1 34 34 ASN C C 13 172.860 0.000 . 1 . . . . 35 Asn C . 25077 1 124 . 1 1 34 34 ASN CA C 13 51.429 0.023 . 1 . . . . 35 Asn CA . 25077 1 125 . 1 1 34 34 ASN CB C 13 42.763 0.023 . 1 . . . . 35 Asn CB . 25077 1 126 . 1 1 34 34 ASN N N 15 118.537 0.010 . 1 . . . . 35 Asn N . 25077 1 127 . 1 1 35 35 VAL H H 1 8.783 0.003 . 1 . . . . 36 Val H . 25077 1 128 . 1 1 35 35 VAL C C 13 174.885 0.000 . 1 . . . . 36 Val C . 25077 1 129 . 1 1 35 35 VAL CA C 13 58.497 0.024 . 1 . . . . 36 Val CA . 25077 1 130 . 1 1 35 35 VAL CB C 13 35.459 0.017 . 1 . . . . 36 Val CB . 25077 1 131 . 1 1 35 35 VAL N N 15 111.563 0.030 . 1 . . . . 36 Val N . 25077 1 132 . 1 1 36 36 LYS H H 1 9.239 0.006 . 1 . . . . 37 Lys H . 25077 1 133 . 1 1 36 36 LYS C C 13 174.847 0.000 . 1 . . . . 37 Lys C . 25077 1 134 . 1 1 36 36 LYS CA C 13 54.157 0.041 . 1 . . . . 37 Lys CA . 25077 1 135 . 1 1 36 36 LYS CB C 13 36.568 0.021 . 1 . . . . 37 Lys CB . 25077 1 136 . 1 1 36 36 LYS N N 15 120.554 0.023 . 1 . . . . 37 Lys N . 25077 1 137 . 1 1 37 37 GLY H H 1 8.008 0.005 . 1 . . . . 38 Gly H . 25077 1 138 . 1 1 37 37 GLY C C 13 174.622 0.000 . 1 . . . . 38 Gly C . 25077 1 139 . 1 1 37 37 GLY CA C 13 44.633 0.003 . 1 . . . . 38 Gly CA . 25077 1 140 . 1 1 37 37 GLY N N 15 106.159 0.042 . 1 . . . . 38 Gly N . 25077 1 141 . 1 1 38 38 GLY H H 1 7.455 0.007 . 1 . . . . 39 Gly H . 25077 1 142 . 1 1 38 38 GLY C C 13 173.376 0.000 . 1 . . . . 39 Gly C . 25077 1 143 . 1 1 38 38 GLY CA C 13 43.376 0.016 . 1 . . . . 39 Gly CA . 25077 1 144 . 1 1 38 38 GLY N N 15 102.143 0.049 . 1 . . . . 39 Gly N . 25077 1 145 . 1 1 39 39 TYR H H 1 8.736 0.001 . 1 . . . . 40 Tyr H . 25077 1 146 . 1 1 39 39 TYR C C 13 175.711 0.000 . 1 . . . . 40 Tyr C . 25077 1 147 . 1 1 39 39 TYR CA C 13 62.036 0.022 . 1 . . . . 40 Tyr CA . 25077 1 148 . 1 1 39 39 TYR CB C 13 39.956 0.023 . 1 . . . . 40 Tyr CB . 25077 1 149 . 1 1 39 39 TYR N N 15 122.040 0.017 . 1 . . . . 40 Tyr N . 25077 1 150 . 1 1 40 40 ASP H H 1 10.053 0.003 . 1 . . . . 41 Asp H . 25077 1 151 . 1 1 40 40 ASP C C 13 178.679 0.000 . 1 . . . . 41 Asp C . 25077 1 152 . 1 1 40 40 ASP CA C 13 54.852 0.020 . 1 . . . . 41 Asp CA . 25077 1 153 . 1 1 40 40 ASP CB C 13 38.203 0.020 . 1 . . . . 41 Asp CB . 25077 1 154 . 1 1 40 40 ASP N N 15 113.501 0.044 . 1 . . . . 41 Asp N . 25077 1 155 . 1 1 41 41 GLN H H 1 7.220 0.001 . 1 . . . . 42 Gln H . 25077 1 156 . 1 1 41 41 GLN C C 13 176.550 0.000 . 1 . . . . 42 Gln C . 25077 1 157 . 1 1 41 41 GLN CA C 13 54.908 0.016 . 1 . . . . 42 Gln CA . 25077 1 158 . 1 1 41 41 GLN CB C 13 29.039 0.024 . 1 . . . . 42 Gln CB . 25077 1 159 . 1 1 41 41 GLN N N 15 117.654 0.013 . 1 . . . . 42 Gln N . 25077 1 160 . 1 1 42 42 LYS H H 1 7.643 0.001 . 1 . . . . 43 Lys H . 25077 1 161 . 1 1 42 42 LYS C C 13 174.438 0.000 . 1 . . . . 43 Lys C . 25077 1 162 . 1 1 42 42 LYS CA C 13 56.536 0.023 . 1 . . . . 43 Lys CA . 25077 1 163 . 1 1 42 42 LYS CB C 13 29.087 0.001 . 1 . . . . 43 Lys CB . 25077 1 164 . 1 1 42 42 LYS N N 15 114.523 0.014 . 1 . . . . 43 Lys N . 25077 1 165 . 1 1 43 43 MET H H 1 7.317 0.002 . 1 . . . . 44 Met H . 25077 1 166 . 1 1 43 43 MET C C 13 174.854 0.000 . 1 . . . . 44 Met C . 25077 1 167 . 1 1 43 43 MET CA C 13 52.837 0.000 . 1 . . . . 44 Met CA . 25077 1 168 . 1 1 43 43 MET CB C 13 36.126 0.000 . 1 . . . . 44 Met CB . 25077 1 169 . 1 1 43 43 MET N N 15 115.091 0.024 . 1 . . . . 44 Met N . 25077 1 170 . 1 1 44 44 PRO CA C 13 62.092 0.011 . 1 . . . . 45 Pro CA . 25077 1 171 . 1 1 44 44 PRO CB C 13 32.239 0.007 . 1 . . . . 45 Pro CB . 25077 1 172 . 1 1 45 45 VAL H H 1 8.459 0.002 . 1 . . . . 46 Val H . 25077 1 173 . 1 1 45 45 VAL C C 13 173.860 0.000 . 1 . . . . 46 Val C . 25077 1 174 . 1 1 45 45 VAL CA C 13 62.597 0.036 . 1 . . . . 46 Val CA . 25077 1 175 . 1 1 45 45 VAL CB C 13 30.597 0.010 . 1 . . . . 46 Val CB . 25077 1 176 . 1 1 45 45 VAL N N 15 119.819 0.019 . 1 . . . . 46 Val N . 25077 1 177 . 1 1 46 46 ILE H H 1 8.666 0.003 . 1 . . . . 47 Ile H . 25077 1 178 . 1 1 46 46 ILE C C 13 175.156 0.000 . 1 . . . . 47 Ile C . 25077 1 179 . 1 1 46 46 ILE CA C 13 57.103 0.033 . 1 . . . . 47 Ile CA . 25077 1 180 . 1 1 46 46 ILE CB C 13 41.311 0.025 . 1 . . . . 47 Ile CB . 25077 1 181 . 1 1 46 46 ILE N N 15 128.318 0.040 . 1 . . . . 47 Ile N . 25077 1 182 . 1 1 47 47 VAL H H 1 8.850 0.005 . 1 . . . . 48 Val H . 25077 1 183 . 1 1 47 47 VAL C C 13 176.250 0.000 . 1 . . . . 48 Val C . 25077 1 184 . 1 1 47 47 VAL CA C 13 63.793 0.034 . 1 . . . . 48 Val CA . 25077 1 185 . 1 1 47 47 VAL CB C 13 31.308 0.018 . 1 . . . . 48 Val CB . 25077 1 186 . 1 1 47 47 VAL N N 15 124.940 0.028 . 1 . . . . 48 Val N . 25077 1 187 . 1 1 48 48 SER H H 1 9.240 0.001 . 1 . . . . 49 Ser H . 25077 1 188 . 1 1 48 48 SER C C 13 176.029 0.000 . 1 . . . . 49 Ser C . 25077 1 189 . 1 1 48 48 SER CA C 13 58.275 0.028 . 1 . . . . 49 Ser CA . 25077 1 190 . 1 1 48 48 SER CB C 13 64.417 0.041 . 1 . . . . 49 Ser CB . 25077 1 191 . 1 1 48 48 SER N N 15 126.588 0.029 . 1 . . . . 49 Ser N . 25077 1 192 . 1 1 49 49 ARG H H 1 7.237 0.001 . 1 . . . . 50 Arg H . 25077 1 193 . 1 1 49 49 ARG C C 13 174.658 0.000 . 1 . . . . 50 Arg C . 25077 1 194 . 1 1 49 49 ARG CA C 13 56.205 0.016 . 1 . . . . 50 Arg CA . 25077 1 195 . 1 1 49 49 ARG CB C 13 33.824 0.078 . 1 . . . . 50 Arg CB . 25077 1 196 . 1 1 49 49 ARG N N 15 121.765 0.019 . 1 . . . . 50 Arg N . 25077 1 197 . 1 1 50 50 VAL H H 1 9.093 0.001 . 1 . . . . 51 Val H . 25077 1 198 . 1 1 50 50 VAL C C 13 174.292 0.000 . 1 . . . . 51 Val C . 25077 1 199 . 1 1 50 50 VAL CA C 13 62.773 0.044 . 1 . . . . 51 Val CA . 25077 1 200 . 1 1 50 50 VAL CB C 13 34.123 0.013 . 1 . . . . 51 Val CB . 25077 1 201 . 1 1 50 50 VAL N N 15 127.066 0.023 . 1 . . . . 51 Val N . 25077 1 202 . 1 1 51 51 ALA H H 1 8.800 0.003 . 1 . . . . 52 Ala H . 25077 1 203 . 1 1 51 51 ALA C C 13 175.123 0.000 . 1 . . . . 52 Ala C . 25077 1 204 . 1 1 51 51 ALA CA C 13 49.840 0.000 . 1 . . . . 52 Ala CA . 25077 1 205 . 1 1 51 51 ALA CB C 13 18.483 0.000 . 1 . . . . 52 Ala CB . 25077 1 206 . 1 1 51 51 ALA N N 15 131.878 0.021 . 1 . . . . 52 Ala N . 25077 1 207 . 1 1 52 52 PRO CA C 13 63.047 0.035 . 1 . . . . 53 Pro CA . 25077 1 208 . 1 1 52 52 PRO CB C 13 32.030 0.028 . 1 . . . . 53 Pro CB . 25077 1 209 . 1 1 53 53 GLY H H 1 10.460 0.001 . 1 . . . . 54 Gly H . 25077 1 210 . 1 1 53 53 GLY C C 13 178.899 0.000 . 1 . . . . 54 Gly C . 25077 1 211 . 1 1 53 53 GLY CA C 13 45.888 0.006 . 1 . . . . 54 Gly CA . 25077 1 212 . 1 1 53 53 GLY N N 15 112.041 0.011 . 1 . . . . 54 Gly N . 25077 1 213 . 1 1 54 54 THR H H 1 7.157 0.003 . 1 . . . . 55 Thr H . 25077 1 214 . 1 1 54 54 THR C C 13 173.641 0.000 . 1 . . . . 55 Thr C . 25077 1 215 . 1 1 54 54 THR CA C 13 60.625 0.000 . 1 . . . . 55 Thr CA . 25077 1 216 . 1 1 54 54 THR CB C 13 68.134 0.000 . 1 . . . . 55 Thr CB . 25077 1 217 . 1 1 54 54 THR N N 15 111.040 0.022 . 1 . . . . 55 Thr N . 25077 1 218 . 1 1 55 55 PRO CA C 13 66.758 0.016 . 1 . . . . 56 Pro CA . 25077 1 219 . 1 1 55 55 PRO CB C 13 32.562 0.000 . 1 . . . . 56 Pro CB . 25077 1 220 . 1 1 56 56 ALA H H 1 8.054 0.002 . 1 . . . . 57 Ala H . 25077 1 221 . 1 1 56 56 ALA C C 13 178.365 0.000 . 1 . . . . 57 Ala C . 25077 1 222 . 1 1 56 56 ALA CA C 13 54.366 0.029 . 1 . . . . 57 Ala CA . 25077 1 223 . 1 1 56 56 ALA CB C 13 20.450 0.023 . 1 . . . . 57 Ala CB . 25077 1 224 . 1 1 56 56 ALA N N 15 116.698 0.015 . 1 . . . . 57 Ala N . 25077 1 225 . 1 1 57 57 ASP H H 1 7.245 0.001 . 1 . . . . 58 Asp H . 25077 1 226 . 1 1 57 57 ASP C C 13 174.535 0.000 . 1 . . . . 58 Asp C . 25077 1 227 . 1 1 57 57 ASP CA C 13 54.747 0.055 . 1 . . . . 58 Asp CA . 25077 1 228 . 1 1 57 57 ASP CB C 13 45.028 0.010 . 1 . . . . 58 Asp CB . 25077 1 229 . 1 1 57 57 ASP N N 15 112.503 0.025 . 1 . . . . 58 Asp N . 25077 1 230 . 1 1 58 58 LEU H H 1 7.500 0.001 . 1 . . . . 59 Leu H . 25077 1 231 . 1 1 58 58 LEU C C 13 177.694 0.000 . 1 . . . . 59 Leu C . 25077 1 232 . 1 1 58 58 LEU CA C 13 54.876 0.006 . 1 . . . . 59 Leu CA . 25077 1 233 . 1 1 58 58 LEU CB C 13 43.640 0.028 . 1 . . . . 59 Leu CB . 25077 1 234 . 1 1 58 58 LEU N N 15 114.671 0.017 . 1 . . . . 59 Leu N . 25077 1 235 . 1 1 59 59 CYS H H 1 7.613 0.002 . 1 . . . . 60 Cys H . 25077 1 236 . 1 1 59 59 CYS C C 13 177.146 0.000 . 1 . . . . 60 Cys C . 25077 1 237 . 1 1 59 59 CYS CA C 13 56.764 0.028 . 1 . . . . 60 Cys CA . 25077 1 238 . 1 1 59 59 CYS CB C 13 28.298 0.009 . 1 . . . . 60 Cys CB . 25077 1 239 . 1 1 59 59 CYS N N 15 119.408 0.030 . 1 . . . . 60 Cys N . 25077 1 240 . 1 1 60 60 VAL H H 1 7.976 0.001 . 1 . . . . 61 Val H . 25077 1 241 . 1 1 60 60 VAL C C 13 172.315 0.000 . 1 . . . . 61 Val C . 25077 1 242 . 1 1 60 60 VAL CA C 13 59.377 0.000 . 1 . . . . 61 Val CA . 25077 1 243 . 1 1 60 60 VAL CB C 13 34.987 0.000 . 1 . . . . 61 Val CB . 25077 1 244 . 1 1 60 60 VAL N N 15 118.529 0.005 . 1 . . . . 61 Val N . 25077 1 245 . 1 1 61 61 PRO CA C 13 63.203 0.047 . 1 . . . . 62 Pro CA . 25077 1 246 . 1 1 61 61 PRO CB C 13 33.949 0.004 . 1 . . . . 62 Pro CB . 25077 1 247 . 1 1 62 62 ARG H H 1 7.848 0.001 . 1 . . . . 63 Arg H . 25077 1 248 . 1 1 62 62 ARG C C 13 174.049 0.000 . 1 . . . . 63 Arg C . 25077 1 249 . 1 1 62 62 ARG CA C 13 56.712 0.010 . 1 . . . . 63 Arg CA . 25077 1 250 . 1 1 62 62 ARG CB C 13 31.581 0.015 . 1 . . . . 63 Arg CB . 25077 1 251 . 1 1 62 62 ARG N N 15 121.189 0.028 . 1 . . . . 63 Arg N . 25077 1 252 . 1 1 63 63 LEU H H 1 7.016 0.002 . 1 . . . . 64 Leu H . 25077 1 253 . 1 1 63 63 LEU C C 13 175.831 0.000 . 1 . . . . 64 Leu C . 25077 1 254 . 1 1 63 63 LEU CA C 13 54.291 0.055 . 1 . . . . 64 Leu CA . 25077 1 255 . 1 1 63 63 LEU CB C 13 43.903 0.014 . 1 . . . . 64 Leu CB . 25077 1 256 . 1 1 63 63 LEU N N 15 124.873 0.017 . 1 . . . . 64 Leu N . 25077 1 257 . 1 1 64 64 ASN H H 1 8.247 0.004 . 1 . . . . 65 Asn H . 25077 1 258 . 1 1 64 64 ASN C C 13 172.917 0.000 . 1 . . . . 65 Asn C . 25077 1 259 . 1 1 64 64 ASN CA C 13 51.310 0.023 . 1 . . . . 65 Asn CA . 25077 1 260 . 1 1 64 64 ASN CB C 13 41.703 0.006 . 1 . . . . 65 Asn CB . 25077 1 261 . 1 1 64 64 ASN N N 15 120.605 0.079 . 1 . . . . 65 Asn N . 25077 1 262 . 1 1 65 65 GLU H H 1 8.699 0.001 . 1 . . . . 66 Glu H . 25077 1 263 . 1 1 65 65 GLU C C 13 175.504 0.000 . 1 . . . . 66 Glu C . 25077 1 264 . 1 1 65 65 GLU CA C 13 58.255 0.021 . 1 . . . . 66 Glu CA . 25077 1 265 . 1 1 65 65 GLU CB C 13 28.399 0.010 . 1 . . . . 66 Glu CB . 25077 1 266 . 1 1 65 65 GLU N N 15 120.530 0.015 . 1 . . . . 66 Glu N . 25077 1 267 . 1 1 66 66 GLY H H 1 9.178 0.003 . 1 . . . . 67 Gly H . 25077 1 268 . 1 1 66 66 GLY C C 13 177.429 0.000 . 1 . . . . 67 Gly C . 25077 1 269 . 1 1 66 66 GLY CA C 13 44.858 0.014 . 1 . . . . 67 Gly CA . 25077 1 270 . 1 1 66 66 GLY N N 15 113.156 0.018 . 1 . . . . 67 Gly N . 25077 1 271 . 1 1 67 67 ASP H H 1 7.930 0.002 . 1 . . . . 68 Asp H . 25077 1 272 . 1 1 67 67 ASP C C 13 174.059 0.000 . 1 . . . . 68 Asp C . 25077 1 273 . 1 1 67 67 ASP CA C 13 55.688 0.002 . 1 . . . . 68 Asp CA . 25077 1 274 . 1 1 67 67 ASP CB C 13 40.502 0.027 . 1 . . . . 68 Asp CB . 25077 1 275 . 1 1 67 67 ASP N N 15 122.899 0.016 . 1 . . . . 68 Asp N . 25077 1 276 . 1 1 68 68 GLN H H 1 8.445 0.002 . 1 . . . . 69 Gln H . 25077 1 277 . 1 1 68 68 GLN C C 13 175.017 0.000 . 1 . . . . 69 Gln C . 25077 1 278 . 1 1 68 68 GLN CA C 13 53.737 0.032 . 1 . . . . 69 Gln CA . 25077 1 279 . 1 1 68 68 GLN CB C 13 41.194 0.000 . 1 . . . . 69 Gln CB . 25077 1 280 . 1 1 68 68 GLN N N 15 121.161 0.055 . 1 . . . . 69 Gln N . 25077 1 281 . 1 1 69 69 VAL H H 1 8.833 0.002 . 1 . . . . 70 Val H . 25077 1 282 . 1 1 69 69 VAL C C 13 176.170 0.000 . 1 . . . . 70 Val C . 25077 1 283 . 1 1 69 69 VAL CA C 13 63.594 0.032 . 1 . . . . 70 Val CA . 25077 1 284 . 1 1 69 69 VAL CB C 13 32.034 0.000 . 1 . . . . 70 Val CB . 25077 1 285 . 1 1 69 69 VAL N N 15 127.892 0.040 . 1 . . . . 70 Val N . 25077 1 286 . 1 1 70 70 VAL H H 1 8.852 0.002 . 1 . . . . 71 Val H . 25077 1 287 . 1 1 70 70 VAL C C 13 173.597 0.000 . 1 . . . . 71 Val C . 25077 1 288 . 1 1 70 70 VAL CA C 13 64.504 0.024 . 1 . . . . 71 Val CA . 25077 1 289 . 1 1 70 70 VAL CB C 13 33.150 0.037 . 1 . . . . 71 Val CB . 25077 1 290 . 1 1 70 70 VAL N N 15 127.222 0.077 . 1 . . . . 71 Val N . 25077 1 291 . 1 1 71 71 LEU H H 1 7.586 0.002 . 1 . . . . 72 Leu H . 25077 1 292 . 1 1 71 71 LEU C C 13 175.829 0.000 . 1 . . . . 72 Leu C . 25077 1 293 . 1 1 71 71 LEU CA C 13 53.434 0.056 . 1 . . . . 72 Leu CA . 25077 1 294 . 1 1 71 71 LEU CB C 13 46.423 0.028 . 1 . . . . 72 Leu CB . 25077 1 295 . 1 1 71 71 LEU N N 15 114.427 0.033 . 1 . . . . 72 Leu N . 25077 1 296 . 1 1 72 72 ILE H H 1 8.130 0.001 . 1 . . . . 73 Ile H . 25077 1 297 . 1 1 72 72 ILE C C 13 176.771 0.000 . 1 . . . . 73 Ile C . 25077 1 298 . 1 1 72 72 ILE CA C 13 60.757 0.029 . 1 . . . . 73 Ile CA . 25077 1 299 . 1 1 72 72 ILE CB C 13 39.680 0.031 . 1 . . . . 73 Ile CB . 25077 1 300 . 1 1 72 72 ILE N N 15 117.277 0.017 . 1 . . . . 73 Ile N . 25077 1 301 . 1 1 73 73 ASN H H 1 9.941 0.003 . 1 . . . . 74 Asn H . 25077 1 302 . 1 1 73 73 ASN C C 13 175.500 0.000 . 1 . . . . 74 Asn C . 25077 1 303 . 1 1 73 73 ASN CA C 13 54.550 0.018 . 1 . . . . 74 Asn CA . 25077 1 304 . 1 1 73 73 ASN CB C 13 36.926 0.040 . 1 . . . . 74 Asn CB . 25077 1 305 . 1 1 73 73 ASN N N 15 128.559 0.023 . 1 . . . . 74 Asn N . 25077 1 306 . 1 1 74 74 GLY H H 1 8.766 0.007 . 1 . . . . 75 Gly H . 25077 1 307 . 1 1 74 74 GLY C C 13 175.402 0.000 . 1 . . . . 75 Gly C . 25077 1 308 . 1 1 74 74 GLY CA C 13 45.358 0.002 . 1 . . . . 75 Gly CA . 25077 1 309 . 1 1 74 74 GLY N N 15 102.715 0.014 . 1 . . . . 75 Gly N . 25077 1 310 . 1 1 75 75 ARG H H 1 8.065 0.001 . 1 . . . . 76 Arg H . 25077 1 311 . 1 1 75 75 ARG C C 13 172.795 0.000 . 1 . . . . 76 Arg C . 25077 1 312 . 1 1 75 75 ARG CA C 13 54.694 0.030 . 1 . . . . 76 Arg CA . 25077 1 313 . 1 1 75 75 ARG CB C 13 31.809 0.024 . 1 . . . . 76 Arg CB . 25077 1 314 . 1 1 75 75 ARG N N 15 122.258 0.016 . 1 . . . . 76 Arg N . 25077 1 315 . 1 1 76 76 ASP H H 1 8.671 0.001 . 1 . . . . 77 Asp H . 25077 1 316 . 1 1 76 76 ASP C C 13 175.025 0.000 . 1 . . . . 77 Asp C . 25077 1 317 . 1 1 76 76 ASP CA C 13 54.826 0.010 . 1 . . . . 77 Asp CA . 25077 1 318 . 1 1 76 76 ASP CB C 13 41.016 0.036 . 1 . . . . 77 Asp CB . 25077 1 319 . 1 1 76 76 ASP N N 15 125.329 0.026 . 1 . . . . 77 Asp N . 25077 1 320 . 1 1 77 77 ILE H H 1 6.939 0.001 . 1 . . . . 78 Ile H . 25077 1 321 . 1 1 77 77 ILE C C 13 177.907 0.000 . 1 . . . . 78 Ile C . 25077 1 322 . 1 1 77 77 ILE CA C 13 60.192 0.014 . 1 . . . . 78 Ile CA . 25077 1 323 . 1 1 77 77 ILE CB C 13 37.278 0.010 . 1 . . . . 78 Ile CB . 25077 1 324 . 1 1 77 77 ILE N N 15 118.327 0.026 . 1 . . . . 78 Ile N . 25077 1 325 . 1 1 78 78 ALA H H 1 8.406 0.003 . 1 . . . . 79 Ala H . 25077 1 326 . 1 1 78 78 ALA C C 13 177.182 0.000 . 1 . . . . 79 Ala C . 25077 1 327 . 1 1 78 78 ALA CA C 13 55.973 0.059 . 1 . . . . 79 Ala CA . 25077 1 328 . 1 1 78 78 ALA CB C 13 19.276 0.012 . 1 . . . . 79 Ala CB . 25077 1 329 . 1 1 78 78 ALA N N 15 125.308 0.030 . 1 . . . . 79 Ala N . 25077 1 330 . 1 1 79 79 GLU H H 1 8.550 0.002 . 1 . . . . 80 Glu H . 25077 1 331 . 1 1 79 79 GLU C C 13 178.967 0.000 . 1 . . . . 80 Glu C . 25077 1 332 . 1 1 79 79 GLU CA C 13 55.134 0.027 . 1 . . . . 80 Glu CA . 25077 1 333 . 1 1 79 79 GLU CB C 13 28.974 0.014 . 1 . . . . 80 Glu CB . 25077 1 334 . 1 1 79 79 GLU N N 15 113.173 0.059 . 1 . . . . 80 Glu N . 25077 1 335 . 1 1 80 80 HIS H H 1 7.725 0.004 . 1 . . . . 81 His H . 25077 1 336 . 1 1 80 80 HIS C C 13 175.501 0.000 . 1 . . . . 81 His C . 25077 1 337 . 1 1 80 80 HIS CA C 13 56.897 0.059 . 1 . . . . 81 His CA . 25077 1 338 . 1 1 80 80 HIS CB C 13 32.027 0.000 . 1 . . . . 81 His CB . 25077 1 339 . 1 1 80 80 HIS N N 15 119.008 0.023 . 1 . . . . 81 His N . 25077 1 340 . 1 1 81 81 THR H H 1 8.859 0.004 . 1 . . . . 82 Thr H . 25077 1 341 . 1 1 81 81 THR C C 13 176.614 0.000 . 1 . . . . 82 Thr C . 25077 1 342 . 1 1 81 81 THR CA C 13 61.620 0.042 . 1 . . . . 82 Thr CA . 25077 1 343 . 1 1 81 81 THR CB C 13 70.380 0.069 . 1 . . . . 82 Thr CB . 25077 1 344 . 1 1 81 81 THR N N 15 113.958 0.030 . 1 . . . . 82 Thr N . 25077 1 345 . 1 1 82 82 HIS H H 1 9.995 0.009 . 1 . . . . 83 His H . 25077 1 346 . 1 1 82 82 HIS C C 13 174.243 0.000 . 1 . . . . 83 His C . 25077 1 347 . 1 1 82 82 HIS CA C 13 61.753 0.045 . 1 . . . . 83 His CA . 25077 1 348 . 1 1 82 82 HIS CB C 13 28.980 0.040 . 1 . . . . 83 His CB . 25077 1 349 . 1 1 82 82 HIS N N 15 121.561 0.083 . 1 . . . . 83 His N . 25077 1 350 . 1 1 83 83 ASP H H 1 9.030 0.010 . 1 . . . . 84 Asp H . 25077 1 351 . 1 1 83 83 ASP C C 13 176.641 0.000 . 1 . . . . 84 Asp C . 25077 1 352 . 1 1 83 83 ASP CA C 13 57.229 0.046 . 1 . . . . 84 Asp CA . 25077 1 353 . 1 1 83 83 ASP CB C 13 40.233 0.052 . 1 . . . . 84 Asp CB . 25077 1 354 . 1 1 83 83 ASP N N 15 115.604 0.077 . 1 . . . . 84 Asp N . 25077 1 355 . 1 1 84 84 GLN H H 1 7.578 0.004 . 1 . . . . 85 Gln H . 25077 1 356 . 1 1 84 84 GLN C C 13 179.083 0.000 . 1 . . . . 85 Gln C . 25077 1 357 . 1 1 84 84 GLN CA C 13 58.550 0.011 . 1 . . . . 85 Gln CA . 25077 1 358 . 1 1 84 84 GLN CB C 13 28.492 0.022 . 1 . . . . 85 Gln CB . 25077 1 359 . 1 1 84 84 GLN N N 15 118.404 0.065 . 1 . . . . 85 Gln N . 25077 1 360 . 1 1 85 85 VAL H H 1 8.410 0.003 . 1 . . . . 86 Val H . 25077 1 361 . 1 1 85 85 VAL C C 13 178.463 0.000 . 1 . . . . 86 Val C . 25077 1 362 . 1 1 85 85 VAL CA C 13 67.732 0.030 . 1 . . . . 86 Val CA . 25077 1 363 . 1 1 85 85 VAL CB C 13 31.131 0.000 . 1 . . . . 86 Val CB . 25077 1 364 . 1 1 85 85 VAL N N 15 120.966 0.038 . 1 . . . . 86 Val N . 25077 1 365 . 1 1 86 86 VAL H H 1 7.828 0.008 . 1 . . . . 87 Val H . 25077 1 366 . 1 1 86 86 VAL C C 13 177.268 0.000 . 1 . . . . 87 Val C . 25077 1 367 . 1 1 86 86 VAL CA C 13 67.114 0.072 . 1 . . . . 87 Val CA . 25077 1 368 . 1 1 86 86 VAL CB C 13 31.613 0.058 . 1 . . . . 87 Val CB . 25077 1 369 . 1 1 86 86 VAL N N 15 118.540 0.031 . 1 . . . . 87 Val N . 25077 1 370 . 1 1 87 87 LEU H H 1 7.739 0.002 . 1 . . . . 88 Leu H . 25077 1 371 . 1 1 87 87 LEU C C 13 179.030 0.000 . 1 . . . . 88 Leu C . 25077 1 372 . 1 1 87 87 LEU CA C 13 57.991 0.002 . 1 . . . . 88 Leu CA . 25077 1 373 . 1 1 87 87 LEU CB C 13 41.329 0.066 . 1 . . . . 88 Leu CB . 25077 1 374 . 1 1 87 87 LEU N N 15 120.089 0.030 . 1 . . . . 88 Leu N . 25077 1 375 . 1 1 88 88 PHE H H 1 8.174 0.003 . 1 . . . . 89 Phe H . 25077 1 376 . 1 1 88 88 PHE C C 13 175.109 0.000 . 1 . . . . 89 Phe C . 25077 1 377 . 1 1 88 88 PHE CA C 13 59.208 0.021 . 1 . . . . 89 Phe CA . 25077 1 378 . 1 1 88 88 PHE CB C 13 38.375 0.032 . 1 . . . . 89 Phe CB . 25077 1 379 . 1 1 88 88 PHE N N 15 120.394 0.069 . 1 . . . . 89 Phe N . 25077 1 380 . 1 1 89 89 ILE H H 1 8.033 0.003 . 1 . . . . 90 Ile H . 25077 1 381 . 1 1 89 89 ILE C C 13 179.253 0.000 . 1 . . . . 90 Ile C . 25077 1 382 . 1 1 89 89 ILE CA C 13 66.182 0.028 . 1 . . . . 90 Ile CA . 25077 1 383 . 1 1 89 89 ILE CB C 13 38.141 0.029 . 1 . . . . 90 Ile CB . 25077 1 384 . 1 1 89 89 ILE N N 15 120.347 0.022 . 1 . . . . 90 Ile N . 25077 1 385 . 1 1 90 90 LYS H H 1 7.868 0.001 . 1 . . . . 91 Lys H . 25077 1 386 . 1 1 90 90 LYS C C 13 177.774 0.000 . 1 . . . . 91 Lys C . 25077 1 387 . 1 1 90 90 LYS CA C 13 58.985 0.030 . 1 . . . . 91 Lys CA . 25077 1 388 . 1 1 90 90 LYS CB C 13 32.846 0.018 . 1 . . . . 91 Lys CB . 25077 1 389 . 1 1 90 90 LYS N N 15 119.029 0.054 . 1 . . . . 91 Lys N . 25077 1 390 . 1 1 91 91 ALA H H 1 8.136 0.008 . 1 . . . . 92 Ala H . 25077 1 391 . 1 1 91 91 ALA C C 13 178.276 0.000 . 1 . . . . 92 Ala C . 25077 1 392 . 1 1 91 91 ALA CA C 13 53.634 0.045 . 1 . . . . 92 Ala CA . 25077 1 393 . 1 1 91 91 ALA CB C 13 18.241 0.001 . 1 . . . . 92 Ala CB . 25077 1 394 . 1 1 91 91 ALA N N 15 121.035 0.061 . 1 . . . . 92 Ala N . 25077 1 395 . 1 1 92 92 SER H H 1 7.985 0.001 . 1 . . . . 93 Ser H . 25077 1 396 . 1 1 92 92 SER N N 15 116.636 0.025 . 1 . . . . 93 Ser N . 25077 1 397 . 1 1 93 93 CYS CA C 13 59.856 0.040 . 1 . . . . 94 Cys CA . 25077 1 398 . 1 1 93 93 CYS CB C 13 27.637 0.010 . 1 . . . . 94 Cys CB . 25077 1 399 . 1 1 94 94 GLU H H 1 7.591 0.008 . 1 . . . . 95 Glu H . 25077 1 400 . 1 1 94 94 GLU C C 13 174.959 0.000 . 1 . . . . 95 Glu C . 25077 1 401 . 1 1 94 94 GLU CA C 13 56.464 0.000 . 1 . . . . 95 Glu CA . 25077 1 402 . 1 1 94 94 GLU CB C 13 30.563 0.000 . 1 . . . . 95 Glu CB . 25077 1 403 . 1 1 94 94 GLU N N 15 119.590 0.025 . 1 . . . . 95 Glu N . 25077 1 404 . 1 1 95 95 ARG H H 1 7.800 0.001 . 1 . . . . 96 Arg H . 25077 1 405 . 1 1 95 95 ARG C C 13 176.758 0.000 . 1 . . . . 96 Arg C . 25077 1 406 . 1 1 95 95 ARG N N 15 119.091 0.021 . 1 . . . . 96 Arg N . 25077 1 407 . 1 1 97 97 SER CA C 13 58.643 0.034 . 1 . . . . 98 Ser CA . 25077 1 408 . 1 1 97 97 SER CB C 13 63.186 0.000 . 1 . . . . 98 Ser CB . 25077 1 409 . 1 1 98 98 GLY H H 1 8.197 0.003 . 1 . . . . 99 Gly H . 25077 1 410 . 1 1 98 98 GLY C C 13 174.745 0.000 . 1 . . . . 99 Gly C . 25077 1 411 . 1 1 98 98 GLY CA C 13 45.571 0.016 . 1 . . . . 99 Gly CA . 25077 1 412 . 1 1 98 98 GLY N N 15 108.919 0.022 . 1 . . . . 99 Gly N . 25077 1 413 . 1 1 99 99 GLU H H 1 7.687 0.001 . 1 . . . . 100 Glu H . 25077 1 414 . 1 1 99 99 GLU C C 13 173.048 0.000 . 1 . . . . 100 Glu C . 25077 1 415 . 1 1 99 99 GLU CA C 13 56.003 0.028 . 1 . . . . 100 Glu CA . 25077 1 416 . 1 1 99 99 GLU CB C 13 32.401 0.014 . 1 . . . . 100 Glu CB . 25077 1 417 . 1 1 99 99 GLU N N 15 117.761 0.013 . 1 . . . . 100 Glu N . 25077 1 418 . 1 1 100 100 LEU H H 1 8.922 0.001 . 1 . . . . 101 Leu H . 25077 1 419 . 1 1 100 100 LEU C C 13 174.798 0.000 . 1 . . . . 101 Leu C . 25077 1 420 . 1 1 100 100 LEU CA C 13 54.096 0.035 . 1 . . . . 101 Leu CA . 25077 1 421 . 1 1 100 100 LEU CB C 13 44.586 0.021 . 1 . . . . 101 Leu CB . 25077 1 422 . 1 1 100 100 LEU N N 15 126.578 0.015 . 1 . . . . 101 Leu N . 25077 1 423 . 1 1 101 101 MET H H 1 8.523 0.004 . 1 . . . . 102 Met H . 25077 1 424 . 1 1 101 101 MET C C 13 174.677 0.000 . 1 . . . . 102 Met C . 25077 1 425 . 1 1 101 101 MET CA C 13 53.608 0.018 . 1 . . . . 102 Met CA . 25077 1 426 . 1 1 101 101 MET CB C 13 35.109 0.011 . 1 . . . . 102 Met CB . 25077 1 427 . 1 1 101 101 MET N N 15 124.712 0.012 . 1 . . . . 102 Met N . 25077 1 428 . 1 1 102 102 LEU H H 1 9.454 0.001 . 1 . . . . 103 Leu H . 25077 1 429 . 1 1 102 102 LEU C C 13 175.078 0.000 . 1 . . . . 103 Leu C . 25077 1 430 . 1 1 102 102 LEU CA C 13 52.660 0.028 . 1 . . . . 103 Leu CA . 25077 1 431 . 1 1 102 102 LEU CB C 13 45.897 0.068 . 1 . . . . 103 Leu CB . 25077 1 432 . 1 1 102 102 LEU N N 15 125.299 0.014 . 1 . . . . 103 Leu N . 25077 1 433 . 1 1 103 103 LEU H H 1 8.364 0.004 . 1 . . . . 104 Leu H . 25077 1 434 . 1 1 103 103 LEU C C 13 174.651 0.000 . 1 . . . . 104 Leu C . 25077 1 435 . 1 1 103 103 LEU CA C 13 54.044 0.041 . 1 . . . . 104 Leu CA . 25077 1 436 . 1 1 103 103 LEU CB C 13 44.024 0.023 . 1 . . . . 104 Leu CB . 25077 1 437 . 1 1 103 103 LEU N N 15 124.672 0.037 . 1 . . . . 104 Leu N . 25077 1 438 . 1 1 104 104 VAL H H 1 9.231 0.003 . 1 . . . . 105 Val H . 25077 1 439 . 1 1 104 104 VAL C C 13 176.437 0.000 . 1 . . . . 105 Val C . 25077 1 440 . 1 1 104 104 VAL CA C 13 58.428 0.019 . 1 . . . . 105 Val CA . 25077 1 441 . 1 1 104 104 VAL CB C 13 35.704 0.021 . 1 . . . . 105 Val CB . 25077 1 442 . 1 1 104 104 VAL N N 15 121.056 0.021 . 1 . . . . 105 Val N . 25077 1 443 . 1 1 105 105 ARG H H 1 9.261 0.002 . 1 . . . . 106 Arg H . 25077 1 444 . 1 1 105 105 ARG C C 13 173.746 0.000 . 1 . . . . 106 Arg C . 25077 1 445 . 1 1 105 105 ARG CA C 13 52.194 0.000 . 1 . . . . 106 Arg CA . 25077 1 446 . 1 1 105 105 ARG CB C 13 32.183 0.000 . 1 . . . . 106 Arg CB . 25077 1 447 . 1 1 105 105 ARG N N 15 124.149 0.019 . 1 . . . . 106 Arg N . 25077 1 448 . 1 1 106 106 PRO CA C 13 62.430 0.040 . 1 . . . . 107 Pro CA . 25077 1 449 . 1 1 106 106 PRO CB C 13 32.771 0.016 . 1 . . . . 107 Pro CB . 25077 1 450 . 1 1 107 107 ASN H H 1 9.054 0.001 . 1 . . . . 108 Asn H . 25077 1 451 . 1 1 107 107 ASN C C 13 176.582 0.000 . 1 . . . . 108 Asn C . 25077 1 452 . 1 1 107 107 ASN CA C 13 53.839 0.034 . 1 . . . . 108 Asn CA . 25077 1 453 . 1 1 107 107 ASN CB C 13 38.645 0.014 . 1 . . . . 108 Asn CB . 25077 1 454 . 1 1 107 107 ASN N N 15 119.865 0.009 . 1 . . . . 108 Asn N . 25077 1 455 . 1 1 108 108 ALA H H 1 7.960 0.001 . 1 . . . . 109 Ala H . 25077 1 456 . 1 1 108 108 ALA C C 13 174.802 0.000 . 1 . . . . 109 Ala C . 25077 1 457 . 1 1 108 108 ALA CA C 13 52.781 0.020 . 1 . . . . 109 Ala CA . 25077 1 458 . 1 1 108 108 ALA CB C 13 19.843 0.008 . 1 . . . . 109 Ala CB . 25077 1 459 . 1 1 108 108 ALA N N 15 124.011 0.012 . 1 . . . . 109 Ala N . 25077 1 460 . 1 1 109 109 VAL H H 1 7.905 0.001 . 1 . . . . 110 Val H . 25077 1 461 . 1 1 109 109 VAL C C 13 177.238 0.000 . 1 . . . . 110 Val C . 25077 1 462 . 1 1 109 109 VAL CA C 13 62.128 0.024 . 1 . . . . 110 Val CA . 25077 1 463 . 1 1 109 109 VAL CB C 13 32.761 0.014 . 1 . . . . 110 Val CB . 25077 1 464 . 1 1 109 109 VAL N N 15 118.367 0.011 . 1 . . . . 110 Val N . 25077 1 465 . 1 1 110 110 TYR H H 1 8.022 0.001 . 1 . . . . 111 Tyr H . 25077 1 466 . 1 1 110 110 TYR C C 13 175.465 0.000 . 1 . . . . 111 Tyr C . 25077 1 467 . 1 1 110 110 TYR CA C 13 57.294 0.015 . 1 . . . . 111 Tyr CA . 25077 1 468 . 1 1 110 110 TYR CB C 13 39.060 0.013 . 1 . . . . 111 Tyr CB . 25077 1 469 . 1 1 110 110 TYR N N 15 123.392 0.007 . 1 . . . . 111 Tyr N . 25077 1 470 . 1 1 111 111 ASP H H 1 8.180 0.000 . 1 . . . . 112 Asp H . 25077 1 471 . 1 1 111 111 ASP C C 13 174.952 0.000 . 1 . . . . 112 Asp C . 25077 1 472 . 1 1 111 111 ASP CA C 13 54.122 0.016 . 1 . . . . 112 Asp CA . 25077 1 473 . 1 1 111 111 ASP CB C 13 41.326 0.015 . 1 . . . . 112 Asp CB . 25077 1 474 . 1 1 111 111 ASP N N 15 122.288 0.013 . 1 . . . . 112 Asp N . 25077 1 475 . 1 1 112 112 VAL H H 1 7.961 0.001 . 1 . . . . 113 Val H . 25077 1 476 . 1 1 112 112 VAL C C 13 175.543 0.000 . 1 . . . . 113 Val C . 25077 1 477 . 1 1 112 112 VAL CA C 13 62.220 0.014 . 1 . . . . 113 Val CA . 25077 1 478 . 1 1 112 112 VAL CB C 13 32.800 0.017 . 1 . . . . 113 Val CB . 25077 1 479 . 1 1 112 112 VAL N N 15 120.648 0.048 . 1 . . . . 113 Val N . 25077 1 480 . 1 1 113 113 VAL H H 1 8.197 0.001 . 1 . . . . 114 Val H . 25077 1 481 . 1 1 113 113 VAL C C 13 175.956 0.000 . 1 . . . . 114 Val C . 25077 1 482 . 1 1 113 113 VAL CA C 13 62.250 0.031 . 1 . . . . 114 Val CA . 25077 1 483 . 1 1 113 113 VAL CB C 13 32.389 0.000 . 1 . . . . 114 Val CB . 25077 1 484 . 1 1 113 113 VAL N N 15 124.952 0.012 . 1 . . . . 114 Val N . 25077 1 485 . 1 1 114 114 GLU H H 1 8.419 0.001 . 1 . . . . 115 Glu H . 25077 1 486 . 1 1 114 114 GLU C C 13 175.927 0.000 . 1 . . . . 115 Glu C . 25077 1 487 . 1 1 114 114 GLU CA C 13 56.376 0.023 . 1 . . . . 115 Glu CA . 25077 1 488 . 1 1 114 114 GLU CB C 13 30.535 0.037 . 1 . . . . 115 Glu CB . 25077 1 489 . 1 1 114 114 GLU N N 15 125.389 0.021 . 1 . . . . 115 Glu N . 25077 1 490 . 1 1 115 115 GLU H H 1 8.390 0.002 . 1 . . . . 116 Glu H . 25077 1 491 . 1 1 115 115 GLU C C 13 176.093 0.000 . 1 . . . . 116 Glu C . 25077 1 492 . 1 1 115 115 GLU CA C 13 56.436 0.019 . 1 . . . . 116 Glu CA . 25077 1 493 . 1 1 115 115 GLU CB C 13 30.465 0.012 . 1 . . . . 116 Glu CB . 25077 1 494 . 1 1 115 115 GLU N N 15 123.151 0.018 . 1 . . . . 116 Glu N . 25077 1 495 . 1 1 116 116 LYS H H 1 8.349 0.002 . 1 . . . . 117 Lys H . 25077 1 496 . 1 1 116 116 LYS C C 13 175.982 0.000 . 1 . . . . 117 Lys C . 25077 1 497 . 1 1 116 116 LYS CA C 13 55.917 0.027 . 1 . . . . 117 Lys CA . 25077 1 498 . 1 1 116 116 LYS CB C 13 32.991 0.005 . 1 . . . . 117 Lys CB . 25077 1 499 . 1 1 116 116 LYS N N 15 123.313 0.055 . 1 . . . . 117 Lys N . 25077 1 500 . 1 1 117 117 LEU H H 1 8.346 0.001 . 1 . . . . 118 Leu H . 25077 1 501 . 1 1 117 117 LEU C C 13 176.189 0.000 . 1 . . . . 118 Leu C . 25077 1 502 . 1 1 117 117 LEU CA C 13 55.032 0.000 . 1 . . . . 118 Leu CA . 25077 1 503 . 1 1 117 117 LEU CB C 13 42.324 0.000 . 1 . . . . 118 Leu CB . 25077 1 504 . 1 1 117 117 LEU N N 15 124.553 0.032 . 1 . . . . 118 Leu N . 25077 1 505 . 1 1 118 118 GLU CA C 13 56.445 0.032 . 1 . . . . 119 Glu CA . 25077 1 506 . 1 1 118 118 GLU CB C 13 30.324 0.004 . 1 . . . . 119 Glu CB . 25077 1 507 . 1 1 119 119 ASN H H 1 8.309 0.001 . 1 . . . . 120 Asn H . 25077 1 508 . 1 1 119 119 ASN C C 13 175.971 0.000 . 1 . . . . 120 Asn C . 25077 1 509 . 1 1 119 119 ASN CA C 13 53.011 0.014 . 1 . . . . 120 Asn CA . 25077 1 510 . 1 1 119 119 ASN CB C 13 39.267 0.006 . 1 . . . . 120 Asn CB . 25077 1 511 . 1 1 119 119 ASN N N 15 118.954 0.017 . 1 . . . . 120 Asn N . 25077 1 512 . 1 1 120 120 GLU H H 1 8.294 0.000 . 1 . . . . 121 Glu H . 25077 1 513 . 1 1 120 120 GLU C C 13 174.730 0.000 . 1 . . . . 121 Glu C . 25077 1 514 . 1 1 120 120 GLU CA C 13 54.563 0.000 . 1 . . . . 121 Glu CA . 25077 1 515 . 1 1 120 120 GLU CB C 13 29.695 0.000 . 1 . . . . 121 Glu CB . 25077 1 516 . 1 1 120 120 GLU N N 15 122.404 0.008 . 1 . . . . 121 Glu N . 25077 1 517 . 1 1 121 121 PRO CA C 13 63.292 0.021 . 1 . . . . 122 Pro CA . 25077 1 518 . 1 1 121 121 PRO CB C 13 32.061 0.010 . 1 . . . . 122 Pro CB . 25077 1 519 . 1 1 122 122 ASP H H 1 8.298 0.000 . 1 . . . . 123 Asp H . 25077 1 520 . 1 1 122 122 ASP C C 13 176.435 0.000 . 1 . . . . 123 Asp C . 25077 1 521 . 1 1 122 122 ASP CA C 13 54.146 0.018 . 1 . . . . 123 Asp CA . 25077 1 522 . 1 1 122 122 ASP CB C 13 41.031 0.016 . 1 . . . . 123 Asp CB . 25077 1 523 . 1 1 122 122 ASP N N 15 119.607 0.011 . 1 . . . . 123 Asp N . 25077 1 524 . 1 1 123 123 PHE H H 1 8.001 0.001 . 1 . . . . 124 Phe H . 25077 1 525 . 1 1 123 123 PHE C C 13 176.015 0.000 . 1 . . . . 124 Phe C . 25077 1 526 . 1 1 123 123 PHE CA C 13 57.900 0.024 . 1 . . . . 124 Phe CA . 25077 1 527 . 1 1 123 123 PHE CB C 13 39.550 0.004 . 1 . . . . 124 Phe CB . 25077 1 528 . 1 1 123 123 PHE N N 15 120.522 0.004 . 1 . . . . 124 Phe N . 25077 1 529 . 1 1 124 124 GLN H H 1 8.055 0.001 . 1 . . . . 125 Gln H . 25077 1 530 . 1 1 124 124 GLN C C 13 175.307 0.000 . 1 . . . . 125 Gln C . 25077 1 531 . 1 1 124 124 GLN CA C 13 55.422 0.015 . 1 . . . . 125 Gln CA . 25077 1 532 . 1 1 124 124 GLN CB C 13 29.644 0.002 . 1 . . . . 125 Gln CB . 25077 1 533 . 1 1 124 124 GLN N N 15 122.050 0.039 . 1 . . . . 125 Gln N . 25077 1 534 . 1 1 125 125 TYR H H 1 8.102 0.001 . 1 . . . . 126 Tyr H . 25077 1 535 . 1 1 125 125 TYR C C 13 174.727 0.000 . 1 . . . . 126 Tyr C . 25077 1 536 . 1 1 125 125 TYR CA C 13 57.846 0.023 . 1 . . . . 126 Tyr CA . 25077 1 537 . 1 1 125 125 TYR CB C 13 38.735 0.036 . 1 . . . . 126 Tyr CB . 25077 1 538 . 1 1 125 125 TYR N N 15 122.330 0.018 . 1 . . . . 126 Tyr N . 25077 1 539 . 1 1 126 126 ILE H H 1 7.937 0.000 . 1 . . . . 127 Ile H . 25077 1 540 . 1 1 126 126 ILE C C 13 174.810 0.000 . 1 . . . . 127 Ile C . 25077 1 541 . 1 1 126 126 ILE CA C 13 56.951 0.000 . 1 . . . . 127 Ile CA . 25077 1 542 . 1 1 126 126 ILE CB C 13 37.366 0.000 . 1 . . . . 127 Ile CB . 25077 1 543 . 1 1 126 126 ILE N N 15 126.765 0.011 . 1 . . . . 127 Ile N . 25077 1 544 . 1 1 127 127 PRO CA C 13 63.012 0.034 . 1 . . . . 128 Pro CA . 25077 1 545 . 1 1 127 127 PRO CB C 13 32.083 0.002 . 1 . . . . 128 Pro CB . 25077 1 546 . 1 1 128 128 GLU H H 1 8.376 0.002 . 1 . . . . 129 Glu H . 25077 1 547 . 1 1 128 128 GLU C C 13 176.755 0.000 . 1 . . . . 129 Glu C . 25077 1 548 . 1 1 128 128 GLU CA C 13 56.638 0.036 . 1 . . . . 129 Glu CA . 25077 1 549 . 1 1 128 128 GLU CB C 13 30.292 0.032 . 1 . . . . 129 Glu CB . 25077 1 550 . 1 1 128 128 GLU N N 15 120.991 0.070 . 1 . . . . 129 Glu N . 25077 1 551 . 1 1 129 129 LYS H H 1 8.228 0.001 . 1 . . . . 130 Lys H . 25077 1 552 . 1 1 129 129 LYS C C 13 176.377 0.000 . 1 . . . . 130 Lys C . 25077 1 553 . 1 1 129 129 LYS CA C 13 55.814 0.022 . 1 . . . . 130 Lys CA . 25077 1 554 . 1 1 129 129 LYS CB C 13 33.199 0.008 . 1 . . . . 130 Lys CB . 25077 1 555 . 1 1 129 129 LYS N N 15 122.495 0.016 . 1 . . . . 130 Lys N . 25077 1 556 . 1 1 130 130 ALA H H 1 8.289 0.001 . 1 . . . . 131 Ala H . 25077 1 557 . 1 1 130 130 ALA C C 13 175.731 0.000 . 1 . . . . 131 Ala C . 25077 1 558 . 1 1 130 130 ALA CA C 13 50.473 0.000 . 1 . . . . 131 Ala CA . 25077 1 559 . 1 1 130 130 ALA CB C 13 18.082 0.000 . 1 . . . . 131 Ala CB . 25077 1 560 . 1 1 130 130 ALA N N 15 127.086 0.013 . 1 . . . . 131 Ala N . 25077 1 561 . 1 1 131 131 PRO CA C 13 62.957 0.024 . 1 . . . . 132 Pro CA . 25077 1 562 . 1 1 131 131 PRO CB C 13 32.015 0.012 . 1 . . . . 132 Pro CB . 25077 1 563 . 1 1 132 132 LEU H H 1 8.297 0.001 . 1 . . . . 133 Leu H . 25077 1 564 . 1 1 132 132 LEU C C 13 177.061 0.000 . 1 . . . . 133 Leu C . 25077 1 565 . 1 1 132 132 LEU CA C 13 55.308 0.000 . 1 . . . . 133 Leu CA . 25077 1 566 . 1 1 132 132 LEU CB C 13 42.318 0.023 . 1 . . . . 133 Leu CB . 25077 1 567 . 1 1 132 132 LEU N N 15 122.105 0.032 . 1 . . . . 133 Leu N . 25077 1 568 . 1 1 133 133 ASP H H 1 8.378 0.003 . 1 . . . . 134 Asp H . 25077 1 569 . 1 1 133 133 ASP C C 13 177.335 0.000 . 1 . . . . 134 Asp C . 25077 1 570 . 1 1 133 133 ASP CA C 13 54.305 0.025 . 1 . . . . 134 Asp CA . 25077 1 571 . 1 1 133 133 ASP CB C 13 41.212 0.072 . 1 . . . . 134 Asp CB . 25077 1 572 . 1 1 133 133 ASP N N 15 121.329 0.021 . 1 . . . . 134 Asp N . 25077 1 573 . 1 1 134 134 SER H H 1 8.097 0.001 . 1 . . . . 135 Ser H . 25077 1 574 . 1 1 134 134 SER C C 13 176.206 0.000 . 1 . . . . 135 Ser C . 25077 1 575 . 1 1 134 134 SER CA C 13 58.324 0.062 . 1 . . . . 135 Ser CA . 25077 1 576 . 1 1 134 134 SER CB C 13 63.762 0.007 . 1 . . . . 135 Ser CB . 25077 1 577 . 1 1 134 134 SER N N 15 115.492 0.011 . 1 . . . . 135 Ser N . 25077 1 578 . 1 1 135 135 VAL H H 1 7.977 0.002 . 1 . . . . 136 Val H . 25077 1 579 . 1 1 135 135 VAL C C 13 174.471 0.000 . 1 . . . . 136 Val C . 25077 1 580 . 1 1 135 135 VAL CA C 13 62.429 0.032 . 1 . . . . 136 Val CA . 25077 1 581 . 1 1 135 135 VAL CB C 13 32.579 0.027 . 1 . . . . 136 Val CB . 25077 1 582 . 1 1 135 135 VAL N N 15 121.146 0.038 . 1 . . . . 136 Val N . 25077 1 583 . 1 1 136 136 HIS H H 1 8.332 0.005 . 1 . . . . 137 His H . 25077 1 584 . 1 1 136 136 HIS C C 13 175.869 0.000 . 1 . . . . 137 His C . 25077 1 585 . 1 1 136 136 HIS CA C 13 53.850 0.000 . 1 . . . . 137 His CA . 25077 1 586 . 1 1 136 136 HIS CB C 13 30.467 0.000 . 1 . . . . 137 His CB . 25077 1 587 . 1 1 136 136 HIS N N 15 123.176 0.135 . 1 . . . . 137 His N . 25077 1 588 . 1 1 138 138 ASP CA C 13 55.340 0.021 . 1 . . . . 139 Asp CA . 25077 1 589 . 1 1 138 138 ASP CB C 13 41.238 0.078 . 1 . . . . 139 Asp CB . 25077 1 590 . 1 1 139 139 ASP H H 1 8.248 0.003 . 1 . . . . 140 Asp H . 25077 1 591 . 1 1 139 139 ASP C C 13 177.274 0.000 . 1 . . . . 140 Asp C . 25077 1 592 . 1 1 139 139 ASP CA C 13 55.303 0.000 . 1 . . . . 140 Asp CA . 25077 1 593 . 1 1 139 139 ASP CB C 13 41.096 0.055 . 1 . . . . 140 Asp CB . 25077 1 594 . 1 1 139 139 ASP N N 15 120.604 0.048 . 1 . . . . 140 Asp N . 25077 1 595 . 1 1 140 140 HIS H H 1 7.817 0.007 . 1 . . . . 141 His H . 25077 1 596 . 1 1 140 140 HIS C C 13 175.153 0.000 . 1 . . . . 141 His C . 25077 1 597 . 1 1 140 140 HIS CA C 13 57.246 0.000 . 1 . . . . 141 His CA . 25077 1 598 . 1 1 140 140 HIS CB C 13 30.288 0.000 . 1 . . . . 141 His CB . 25077 1 599 . 1 1 140 140 HIS N N 15 123.490 0.090 . 1 . . . . 141 His N . 25077 1 stop_ save_