################################### # 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 27992 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27992 1 2 '3D HNCACB' . . . 27992 1 3 '3D HNCOCACB' . . . 27992 1 4 '3D HN(CO)CA' . . . 27992 1 5 '3D HNCO' . . . 27992 1 6 HN(CA)NNH . . . 27992 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 SER C C 13 171.986 0.013 . 1 . . . . . 116 Ser C . 27992 1 2 . 1 . 1 1 1 SER CA C 13 58.358 0.000 . 1 . . . . . 116 Ser CA . 27992 1 3 . 1 . 1 1 1 SER CB C 13 63.554 0.000 . 1 . . . . . 116 Ser CB . 27992 1 4 . 1 . 1 2 2 MET H H 1 8.764 0.001 . 1 . . . . . 117 Met H . 27992 1 5 . 1 . 1 2 2 MET C C 13 173.620 0.007 . 1 . . . . . 117 Met C . 27992 1 6 . 1 . 1 2 2 MET CA C 13 55.661 0.060 . 1 . . . . . 117 Met CA . 27992 1 7 . 1 . 1 2 2 MET CB C 13 32.333 0.026 . 1 . . . . . 117 Met CB . 27992 1 8 . 1 . 1 2 2 MET N N 15 122.472 0.011 . 1 . . . . . 117 Met N . 27992 1 9 . 1 . 1 3 3 GLU H H 1 8.554 0.001 . 1 . . . . . 118 Glu H . 27992 1 10 . 1 . 1 3 3 GLU C C 13 173.557 0.015 . 1 . . . . . 118 Glu C . 27992 1 11 . 1 . 1 3 3 GLU CA C 13 56.981 0.000 . 1 . . . . . 118 Glu CA . 27992 1 12 . 1 . 1 3 3 GLU CB C 13 29.869 0.008 . 1 . . . . . 118 Glu CB . 27992 1 13 . 1 . 1 3 3 GLU N N 15 122.249 0.015 . 1 . . . . . 118 Glu N . 27992 1 14 . 1 . 1 4 4 GLN H H 1 8.500 0.001 . 1 . . . . . 119 Gln H . 27992 1 15 . 1 . 1 4 4 GLN C C 13 173.522 0.007 . 1 . . . . . 119 Gln C . 27992 1 16 . 1 . 1 4 4 GLN CA C 13 55.836 0.014 . 1 . . . . . 119 Gln CA . 27992 1 17 . 1 . 1 4 4 GLN CB C 13 29.441 0.043 . 1 . . . . . 119 Gln CB . 27992 1 18 . 1 . 1 4 4 GLN N N 15 121.409 0.015 . 1 . . . . . 119 Gln N . 27992 1 19 . 1 . 1 5 5 GLY H H 1 8.593 0.001 . 1 . . . . . 120 Gly H . 27992 1 20 . 1 . 1 5 5 GLY C C 13 170.773 0.001 . 1 . . . . . 120 Gly C . 27992 1 21 . 1 . 1 5 5 GLY CA C 13 45.232 0.089 . 1 . . . . . 120 Gly CA . 27992 1 22 . 1 . 1 5 5 GLY N N 15 110.173 0.014 . 1 . . . . . 120 Gly N . 27992 1 23 . 1 . 1 6 6 ILE H H 1 8.067 0.001 . 1 . . . . . 121 Ile H . 27992 1 24 . 1 . 1 6 6 ILE C C 13 172.899 0.020 . 1 . . . . . 121 Ile C . 27992 1 25 . 1 . 1 6 6 ILE CA C 13 59.916 0.007 . 1 . . . . . 121 Ile CA . 27992 1 26 . 1 . 1 6 6 ILE CB C 13 39.267 0.112 . 1 . . . . . 121 Ile CB . 27992 1 27 . 1 . 1 6 6 ILE N N 15 119.569 0.016 . 1 . . . . . 121 Ile N . 27992 1 28 . 1 . 1 7 7 ASP H H 1 8.667 0.001 . 1 . . . . . 122 Asp H . 27992 1 29 . 1 . 1 7 7 ASP C C 13 172.132 0.000 . 1 . . . . . 122 Asp C . 27992 1 30 . 1 . 1 7 7 ASP CA C 13 52.448 0.000 . 1 . . . . . 122 Asp CA . 27992 1 31 . 1 . 1 7 7 ASP CB C 13 41.714 0.000 . 1 . . . . . 122 Asp CB . 27992 1 32 . 1 . 1 7 7 ASP N N 15 127.875 0.019 . 1 . . . . . 122 Asp N . 27992 1 33 . 1 . 1 13 13 PRO C C 13 174.124 0.012 . 1 . . . . . 128 Pro C . 27992 1 34 . 1 . 1 13 13 PRO CA C 13 62.921 0.035 . 1 . . . . . 128 Pro CA . 27992 1 35 . 1 . 1 13 13 PRO CB C 13 31.875 0.000 . 1 . . . . . 128 Pro CB . 27992 1 36 . 1 . 1 13 13 PRO N N 15 130.118 0.000 . 1 . . . . . 128 Pro N . 27992 1 37 . 1 . 1 14 14 LEU H H 1 8.430 0.004 . 1 . . . . . 129 Leu H . 27992 1 38 . 1 . 1 14 14 LEU C C 13 174.456 0.017 . 1 . . . . . 129 Leu C . 27992 1 39 . 1 . 1 14 14 LEU CA C 13 55.037 0.000 . 1 . . . . . 129 Leu CA . 27992 1 40 . 1 . 1 14 14 LEU CB C 13 42.321 0.048 . 1 . . . . . 129 Leu CB . 27992 1 41 . 1 . 1 14 14 LEU N N 15 123.848 0.035 . 1 . . . . . 129 Leu N . 27992 1 42 . 1 . 1 15 15 ALA H H 1 8.536 0.001 . 1 . . . . . 130 Ala H . 27992 1 43 . 1 . 1 15 15 ALA C C 13 174.824 0.005 . 1 . . . . . 130 Ala C . 27992 1 44 . 1 . 1 15 15 ALA CA C 13 52.535 0.026 . 1 . . . . . 130 Ala CA . 27992 1 45 . 1 . 1 15 15 ALA CB C 13 19.074 0.000 . 1 . . . . . 130 Ala CB . 27992 1 46 . 1 . 1 15 15 ALA N N 15 125.351 0.020 . 1 . . . . . 130 Ala N . 27992 1 47 . 1 . 1 16 16 SER H H 1 8.449 0.003 . 1 . . . . . 131 Ser H . 27992 1 48 . 1 . 1 16 16 SER C C 13 171.914 0.000 . 1 . . . . . 131 Ser C . 27992 1 49 . 1 . 1 16 16 SER CA C 13 58.433 0.000 . 1 . . . . . 131 Ser CA . 27992 1 50 . 1 . 1 16 16 SER CB C 13 63.840 0.000 . 1 . . . . . 131 Ser CB . 27992 1 51 . 1 . 1 16 16 SER N N 15 115.473 0.026 . 1 . . . . . 131 Ser N . 27992 1 52 . 1 . 1 17 17 SER H H 1 8.520 0.000 . 1 . . . . . 132 Ser H . 27992 1 53 . 1 . 1 17 17 SER C C 13 171.618 0.000 . 1 . . . . . 132 Ser C . 27992 1 54 . 1 . 1 17 17 SER N N 15 118.107 0.021 . 1 . . . . . 132 Ser N . 27992 1 55 . 1 . 1 18 18 SER H H 1 8.441 0.002 . 1 . . . . . 133 Ser H . 27992 1 56 . 1 . 1 18 18 SER C C 13 170.878 0.009 . 1 . . . . . 133 Ser C . 27992 1 57 . 1 . 1 18 18 SER N N 15 117.691 0.038 . 1 . . . . . 133 Ser N . 27992 1 58 . 1 . 1 19 19 ASN H H 1 8.505 0.001 . 1 . . . . . 134 Asn H . 27992 1 59 . 1 . 1 19 19 ASN C C 13 170.056 0.000 . 1 . . . . . 134 Asn C . 27992 1 60 . 1 . 1 19 19 ASN N N 15 121.585 0.026 . 1 . . . . . 134 Asn N . 27992 1 61 . 1 . 1 20 20 PRO C C 13 174.157 0.007 . 1 . . . . . 135 Pro C . 27992 1 62 . 1 . 1 20 20 PRO CA C 13 63.382 0.000 . 1 . . . . . 135 Pro CA . 27992 1 63 . 1 . 1 20 20 PRO CB C 13 32.103 0.061 . 1 . . . . . 135 Pro CB . 27992 1 64 . 1 . 1 21 21 THR H H 1 8.423 0.001 . 1 . . . . . 136 Thr H . 27992 1 65 . 1 . 1 21 21 THR C C 13 171.736 0.005 . 1 . . . . . 136 Thr C . 27992 1 66 . 1 . 1 21 21 THR CA C 13 62.159 0.023 . 1 . . . . . 136 Thr CA . 27992 1 67 . 1 . 1 21 21 THR CB C 13 69.719 0.033 . 1 . . . . . 136 Thr CB . 27992 1 68 . 1 . 1 21 21 THR N N 15 115.370 0.017 . 1 . . . . . 136 Thr N . 27992 1 69 . 1 . 1 22 22 VAL H H 1 8.267 0.001 . 1 . . . . . 137 Val H . 27992 1 70 . 1 . 1 22 22 VAL C C 13 172.724 0.012 . 1 . . . . . 137 Val C . 27992 1 71 . 1 . 1 22 22 VAL CA C 13 62.118 0.034 . 1 . . . . . 137 Val CA . 27992 1 72 . 1 . 1 22 22 VAL CB C 13 32.958 0.064 . 1 . . . . . 137 Val CB . 27992 1 73 . 1 . 1 22 22 VAL N N 15 122.976 0.021 . 1 . . . . . 137 Val N . 27992 1 74 . 1 . 1 23 23 ASP H H 1 8.494 0.002 . 1 . . . . . 138 Asp H . 27992 1 75 . 1 . 1 23 23 ASP C C 13 173.647 0.015 . 1 . . . . . 138 Asp C . 27992 1 76 . 1 . 1 23 23 ASP CA C 13 54.261 0.006 . 1 . . . . . 138 Asp CA . 27992 1 77 . 1 . 1 23 23 ASP CB C 13 40.964 0.048 . 1 . . . . . 138 Asp CB . 27992 1 78 . 1 . 1 23 23 ASP N N 15 124.494 0.021 . 1 . . . . . 138 Asp N . 27992 1 79 . 1 . 1 24 24 GLU H H 1 8.642 0.001 . 1 . . . . . 139 Glu H . 27992 1 80 . 1 . 1 24 24 GLU C C 13 173.599 0.005 . 1 . . . . . 139 Glu C . 27992 1 81 . 1 . 1 24 24 GLU CA C 13 57.025 0.099 . 1 . . . . . 139 Glu CA . 27992 1 82 . 1 . 1 24 24 GLU CB C 13 29.973 0.041 . 1 . . . . . 139 Glu CB . 27992 1 83 . 1 . 1 24 24 GLU N N 15 123.096 0.020 . 1 . . . . . 139 Glu N . 27992 1 84 . 1 . 1 25 25 ASN H H 1 8.628 0.001 . 1 . . . . . 140 Asn H . 27992 1 85 . 1 . 1 25 25 ASN C C 13 172.598 0.016 . 1 . . . . . 140 Asn C . 27992 1 86 . 1 . 1 25 25 ASN CA C 13 53.612 0.000 . 1 . . . . . 140 Asn CA . 27992 1 87 . 1 . 1 25 25 ASN CB C 13 38.513 0.002 . 1 . . . . . 140 Asn CB . 27992 1 88 . 1 . 1 25 25 ASN N N 15 118.954 0.022 . 1 . . . . . 140 Asn N . 27992 1 89 . 1 . 1 26 26 LEU H H 1 8.155 0.001 . 1 . . . . . 141 Leu H . 27992 1 90 . 1 . 1 26 26 LEU C C 13 174.404 0.010 . 1 . . . . . 141 Leu C . 27992 1 91 . 1 . 1 26 26 LEU CA C 13 55.656 0.000 . 1 . . . . . 141 Leu CA . 27992 1 92 . 1 . 1 26 26 LEU CB C 13 41.847 0.077 . 1 . . . . . 141 Leu CB . 27992 1 93 . 1 . 1 26 26 LEU N N 15 121.964 0.013 . 1 . . . . . 141 Leu N . 27992 1 94 . 1 . 1 27 27 ASN H H 1 8.419 0.001 . 1 . . . . . 142 Asn H . 27992 1 95 . 1 . 1 27 27 ASN C C 13 171.975 0.015 . 1 . . . . . 142 Asn C . 27992 1 96 . 1 . 1 27 27 ASN CA C 13 53.079 0.035 . 1 . . . . . 142 Asn CA . 27992 1 97 . 1 . 1 27 27 ASN CB C 13 38.805 0.086 . 1 . . . . . 142 Asn CB . 27992 1 98 . 1 . 1 27 27 ASN N N 15 118.415 0.024 . 1 . . . . . 142 Asn N . 27992 1 99 . 1 . 1 28 28 SER H H 1 8.206 0.001 . 1 . . . . . 143 Ser H . 27992 1 100 . 1 . 1 28 28 SER C C 13 170.064 0.000 . 1 . . . . . 143 Ser C . 27992 1 101 . 1 . 1 28 28 SER CA C 13 56.527 0.000 . 1 . . . . . 143 Ser CA . 27992 1 102 . 1 . 1 28 28 SER CB C 13 63.189 0.000 . 1 . . . . . 143 Ser CB . 27992 1 103 . 1 . 1 28 28 SER N N 15 117.046 0.020 . 1 . . . . . 143 Ser N . 27992 1 104 . 1 . 1 29 29 PRO C C 13 173.873 0.035 . 1 . . . . . 144 Pro C . 27992 1 105 . 1 . 1 29 29 PRO CA C 13 63.490 0.000 . 1 . . . . . 144 Pro CA . 27992 1 106 . 1 . 1 29 29 PRO CB C 13 31.737 0.000 . 1 . . . . . 144 Pro CB . 27992 1 107 . 1 . 1 30 30 ASN H H 1 8.555 0.002 . 1 . . . . . 145 Asn H . 27992 1 108 . 1 . 1 30 30 ASN C C 13 172.232 0.019 . 1 . . . . . 145 Asn C . 27992 1 109 . 1 . 1 30 30 ASN CA C 13 53.069 0.027 . 1 . . . . . 145 Asn CA . 27992 1 110 . 1 . 1 30 30 ASN CB C 13 38.719 0.094 . 1 . . . . . 145 Asn CB . 27992 1 111 . 1 . 1 30 30 ASN N N 15 118.453 0.058 . 1 . . . . . 145 Asn N . 27992 1 112 . 1 . 1 31 31 ALA H H 1 8.331 0.002 . 1 . . . . . 146 Ala H . 27992 1 113 . 1 . 1 31 31 ALA C C 13 175.007 0.004 . 1 . . . . . 146 Ala C . 27992 1 114 . 1 . 1 31 31 ALA CA C 13 52.840 0.032 . 1 . . . . . 146 Ala CA . 27992 1 115 . 1 . 1 31 31 ALA CB C 13 19.029 0.038 . 1 . . . . . 146 Ala CB . 27992 1 116 . 1 . 1 31 31 ALA N N 15 124.849 0.016 . 1 . . . . . 146 Ala N . 27992 1 117 . 1 . 1 32 32 SER H H 1 8.499 0.002 . 1 . . . . . 147 Ser H . 27992 1 118 . 1 . 1 32 32 SER C C 13 172.002 0.001 . 1 . . . . . 147 Ser C . 27992 1 119 . 1 . 1 32 32 SER CA C 13 58.494 0.000 . 1 . . . . . 147 Ser CA . 27992 1 120 . 1 . 1 32 32 SER CB C 13 63.836 0.000 . 1 . . . . . 147 Ser CB . 27992 1 121 . 1 . 1 32 32 SER N N 15 115.252 0.025 . 1 . . . . . 147 Ser N . 27992 1 122 . 1 . 1 33 33 SER H H 1 8.463 0.001 . 1 . . . . . 148 Ser H . 27992 1 123 . 1 . 1 33 33 SER C C 13 172.049 0.000 . 1 . . . . . 148 Ser C . 27992 1 124 . 1 . 1 33 33 SER CA C 13 58.197 0.000 . 1 . . . . . 148 Ser CA . 27992 1 125 . 1 . 1 33 33 SER CB C 13 63.542 0.000 . 1 . . . . . 148 Ser CB . 27992 1 126 . 1 . 1 33 33 SER N N 15 117.984 0.030 . 1 . . . . . 148 Ser N . 27992 1 127 . 1 . 1 34 34 SER H H 1 8.462 0.001 . 1 . . . . . 149 Ser H . 27992 1 128 . 1 . 1 34 34 SER C C 13 171.544 0.008 . 1 . . . . . 149 Ser C . 27992 1 129 . 1 . 1 34 34 SER CA C 13 58.611 0.095 . 1 . . . . . 149 Ser CA . 27992 1 130 . 1 . 1 34 34 SER CB C 13 63.580 0.097 . 1 . . . . . 149 Ser CB . 27992 1 131 . 1 . 1 34 34 SER N N 15 117.884 0.042 . 1 . . . . . 149 Ser N . 27992 1 132 . 1 . 1 35 35 ASP H H 1 8.361 0.001 . 1 . . . . . 150 Asp H . 27992 1 133 . 1 . 1 35 35 ASP C C 13 173.629 0.018 . 1 . . . . . 150 Asp C . 27992 1 134 . 1 . 1 35 35 ASP CA C 13 54.482 0.007 . 1 . . . . . 150 Asp CA . 27992 1 135 . 1 . 1 35 35 ASP CB C 13 40.797 0.054 . 1 . . . . . 150 Asp CB . 27992 1 136 . 1 . 1 35 35 ASP N N 15 122.483 0.025 . 1 . . . . . 150 Asp N . 27992 1 137 . 1 . 1 36 36 LYS H H 1 8.293 0.002 . 1 . . . . . 151 Lys H . 27992 1 138 . 1 . 1 36 36 LYS C C 13 173.728 0.034 . 1 . . . . . 151 Lys C . 27992 1 139 . 1 . 1 36 36 LYS CA C 13 56.484 0.068 . 1 . . . . . 151 Lys CA . 27992 1 140 . 1 . 1 36 36 LYS CB C 13 32.518 0.024 . 1 . . . . . 151 Lys CB . 27992 1 141 . 1 . 1 36 36 LYS N N 15 121.795 0.041 . 1 . . . . . 151 Lys N . 27992 1 142 . 1 . 1 37 37 GLN H H 1 8.399 0.003 . 1 . . . . . 152 Gln H . 27992 1 143 . 1 . 1 37 37 GLN C C 13 172.860 0.018 . 1 . . . . . 152 Gln C . 27992 1 144 . 1 . 1 37 37 GLN CA C 13 55.853 0.088 . 1 . . . . . 152 Gln CA . 27992 1 145 . 1 . 1 37 37 GLN CB C 13 29.055 0.098 . 1 . . . . . 152 Gln CB . 27992 1 146 . 1 . 1 37 37 GLN N N 15 120.797 0.046 . 1 . . . . . 152 Gln N . 27992 1 147 . 1 . 1 38 38 TYR H H 1 8.264 0.001 . 1 . . . . . 153 Tyr H . 27992 1 148 . 1 . 1 38 38 TYR C C 13 172.890 0.009 . 1 . . . . . 153 Tyr C . 27992 1 149 . 1 . 1 38 38 TYR CA C 13 57.937 0.033 . 1 . . . . . 153 Tyr CA . 27992 1 150 . 1 . 1 38 38 TYR CB C 13 38.720 0.067 . 1 . . . . . 153 Tyr CB . 27992 1 151 . 1 . 1 38 38 TYR N N 15 121.133 0.017 . 1 . . . . . 153 Tyr N . 27992 1 152 . 1 . 1 39 39 SER H H 1 8.261 0.002 . 1 . . . . . 154 Ser H . 27992 1 153 . 1 . 1 39 39 SER C C 13 171.186 0.002 . 1 . . . . . 154 Ser C . 27992 1 154 . 1 . 1 39 39 SER CA C 13 58.269 0.000 . 1 . . . . . 154 Ser CA . 27992 1 155 . 1 . 1 39 39 SER CB C 13 63.753 0.082 . 1 . . . . . 154 Ser CB . 27992 1 156 . 1 . 1 39 39 SER N N 15 117.879 0.026 . 1 . . . . . 154 Ser N . 27992 1 157 . 1 . 1 40 40 ARG H H 1 8.502 0.003 . 1 . . . . . 155 Arg H . 27992 1 158 . 1 . 1 40 40 ARG C C 13 172.637 0.010 . 1 . . . . . 155 Arg C . 27992 1 159 . 1 . 1 40 40 ARG CA C 13 55.949 0.078 . 1 . . . . . 155 Arg CA . 27992 1 160 . 1 . 1 40 40 ARG CB C 13 30.734 0.040 . 1 . . . . . 155 Arg CB . 27992 1 161 . 1 . 1 40 40 ARG N N 15 123.931 0.057 . 1 . . . . . 155 Arg N . 27992 1 162 . 1 . 1 41 41 SER H H 1 8.130 0.001 . 1 . . . . . 156 Ser H . 27992 1 163 . 1 . 1 41 41 SER N N 15 122.858 0.040 . 1 . . . . . 156 Ser N . 27992 1 164 . 1 . 1 45 45 PRO C C 13 173.558 0.022 . 1 . . . . . 160 Pro C . 27992 1 165 . 1 . 1 45 45 PRO CA C 13 63.002 0.000 . 1 . . . . . 160 Pro CA . 27992 1 166 . 1 . 1 46 46 PHE H H 1 8.433 0.002 . 1 . . . . . 161 Phe H . 27992 1 167 . 1 . 1 46 46 PHE C C 13 172.668 0.026 . 1 . . . . . 161 Phe C . 27992 1 168 . 1 . 1 46 46 PHE CA C 13 58.010 0.047 . 1 . . . . . 161 Phe CA . 27992 1 169 . 1 . 1 46 46 PHE CB C 13 39.278 0.000 . 1 . . . . . 161 Phe CB . 27992 1 170 . 1 . 1 46 46 PHE N N 15 120.871 0.045 . 1 . . . . . 161 Phe N . 27992 1 171 . 1 . 1 47 47 LEU H H 1 8.220 0.009 . 1 . . . . . 162 Leu H . 27992 1 172 . 1 . 1 47 47 LEU C C 13 173.738 0.014 . 1 . . . . . 162 Leu C . 27992 1 173 . 1 . 1 47 47 LEU CA C 13 54.703 0.035 . 1 . . . . . 162 Leu CA . 27992 1 174 . 1 . 1 47 47 LEU CB C 13 42.399 0.017 . 1 . . . . . 162 Leu CB . 27992 1 175 . 1 . 1 47 47 LEU N N 15 124.645 0.121 . 1 . . . . . 162 Leu N . 27992 1 176 . 1 . 1 48 48 SER H H 1 8.299 0.005 . 1 . . . . . 163 Ser H . 27992 1 177 . 1 . 1 48 48 SER C C 13 171.008 0.002 . 1 . . . . . 163 Ser C . 27992 1 178 . 1 . 1 48 48 SER CA C 13 58.458 0.000 . 1 . . . . . 163 Ser CA . 27992 1 179 . 1 . 1 48 48 SER CB C 13 63.540 0.070 . 1 . . . . . 163 Ser CB . 27992 1 180 . 1 . 1 48 48 SER N N 15 117.480 0.091 . 1 . . . . . 163 Ser N . 27992 1 181 . 1 . 1 49 49 ARG H H 1 8.357 0.008 . 1 . . . . . 164 Arg H . 27992 1 182 . 1 . 1 49 49 ARG C C 13 170.761 0.000 . 1 . . . . . 164 Arg C . 27992 1 183 . 1 . 1 49 49 ARG CA C 13 53.995 0.000 . 1 . . . . . 164 Arg CA . 27992 1 184 . 1 . 1 49 49 ARG CB C 13 30.280 0.000 . 1 . . . . . 164 Arg CB . 27992 1 185 . 1 . 1 49 49 ARG N N 15 123.962 0.038 . 1 . . . . . 164 Arg N . 27992 1 186 . 1 . 1 52 52 PRO C C 13 174.151 0.000 . 1 . . . . . 167 Pro C . 27992 1 187 . 1 . 1 52 52 PRO CA C 13 62.866 0.078 . 1 . . . . . 167 Pro CA . 27992 1 188 . 1 . 1 52 52 PRO CB C 13 31.931 0.079 . 1 . . . . . 167 Pro CB . 27992 1 189 . 1 . 1 56 56 ASN C C 13 171.389 0.000 . 1 . . . . . 171 Asn C . 27992 1 190 . 1 . 1 57 57 MET H H 1 8.557 0.001 . 1 . . . . . 172 Met H . 27992 1 191 . 1 . 1 57 57 MET C C 13 172.099 0.013 . 1 . . . . . 172 Met C . 27992 1 192 . 1 . 1 57 57 MET N N 15 121.369 0.012 . 1 . . . . . 172 Met N . 27992 1 193 . 1 . 1 58 58 VAL H H 1 8.423 0.001 . 1 . . . . . 173 Val H . 27992 1 194 . 1 . 1 58 58 VAL C C 13 173.289 0.004 . 1 . . . . . 173 Val C . 27992 1 195 . 1 . 1 58 58 VAL CA C 13 62.196 0.000 . 1 . . . . . 173 Val CA . 27992 1 196 . 1 . 1 58 58 VAL CB C 13 32.620 0.000 . 1 . . . . . 173 Val CB . 27992 1 197 . 1 . 1 58 58 VAL N N 15 121.368 0.017 . 1 . . . . . 173 Val N . 27992 1 198 . 1 . 1 59 59 SER H H 1 8.548 0.005 . 1 . . . . . 174 Ser H . 27992 1 199 . 1 . 1 59 59 SER C C 13 171.474 0.022 . 1 . . . . . 174 Ser C . 27992 1 200 . 1 . 1 59 59 SER CA C 13 58.465 0.000 . 1 . . . . . 174 Ser CA . 27992 1 201 . 1 . 1 59 59 SER CB C 13 63.751 0.000 . 1 . . . . . 174 Ser CB . 27992 1 202 . 1 . 1 59 59 SER N N 15 120.452 0.051 . 1 . . . . . 174 Ser N . 27992 1 203 . 1 . 1 60 60 LYS H H 1 8.550 0.003 . 1 . . . . . 175 Lys H . 27992 1 204 . 1 . 1 60 60 LYS C C 13 173.730 0.016 . 1 . . . . . 175 Lys C . 27992 1 205 . 1 . 1 60 60 LYS CA C 13 56.263 0.003 . 1 . . . . . 175 Lys CA . 27992 1 206 . 1 . 1 60 60 LYS CB C 13 33.082 0.000 . 1 . . . . . 175 Lys CB . 27992 1 207 . 1 . 1 60 60 LYS N N 15 124.314 0.056 . 1 . . . . . 175 Lys N . 27992 1 208 . 1 . 1 61 61 VAL H H 1 8.335 0.003 . 1 . . . . . 176 Val H . 27992 1 209 . 1 . 1 61 61 VAL C C 13 173.446 0.010 . 1 . . . . . 176 Val C . 27992 1 210 . 1 . 1 61 61 VAL CA C 13 62.486 0.076 . 1 . . . . . 176 Val CA . 27992 1 211 . 1 . 1 61 61 VAL CB C 13 32.636 0.112 . 1 . . . . . 176 Val CB . 27992 1 212 . 1 . 1 61 61 VAL N N 15 122.099 0.071 . 1 . . . . . 176 Val N . 27992 1 213 . 1 . 1 62 62 SER H H 1 8.522 0.002 . 1 . . . . . 177 Ser H . 27992 1 214 . 1 . 1 62 62 SER C C 13 171.645 0.002 . 1 . . . . . 177 Ser C . 27992 1 215 . 1 . 1 62 62 SER CA C 13 58.523 0.000 . 1 . . . . . 177 Ser CA . 27992 1 216 . 1 . 1 62 62 SER CB C 13 63.733 0.000 . 1 . . . . . 177 Ser CB . 27992 1 217 . 1 . 1 62 62 SER N N 15 119.871 0.047 . 1 . . . . . 177 Ser N . 27992 1 218 . 1 . 1 63 63 GLU H H 1 8.612 0.002 . 1 . . . . . 178 Glu H . 27992 1 219 . 1 . 1 63 63 GLU C C 13 173.526 0.001 . 1 . . . . . 178 Glu C . 27992 1 220 . 1 . 1 63 63 GLU CA C 13 56.640 0.032 . 1 . . . . . 178 Glu CA . 27992 1 221 . 1 . 1 63 63 GLU CB C 13 30.114 0.096 . 1 . . . . . 178 Glu CB . 27992 1 222 . 1 . 1 63 63 GLU N N 15 123.554 0.024 . 1 . . . . . 178 Glu N . 27992 1 223 . 1 . 1 64 64 LEU H H 1 8.374 0.001 . 1 . . . . . 179 Leu H . 27992 1 224 . 1 . 1 64 64 LEU C C 13 174.616 0.010 . 1 . . . . . 179 Leu C . 27992 1 225 . 1 . 1 64 64 LEU CA C 13 55.280 0.008 . 1 . . . . . 179 Leu CA . 27992 1 226 . 1 . 1 64 64 LEU CB C 13 42.207 0.033 . 1 . . . . . 179 Leu CB . 27992 1 227 . 1 . 1 64 64 LEU N N 15 122.930 0.032 . 1 . . . . . 179 Leu N . 27992 1 228 . 1 . 1 65 65 SER H H 1 8.449 0.001 . 1 . . . . . 180 Ser H . 27992 1 229 . 1 . 1 65 65 SER C C 13 171.741 0.034 . 1 . . . . . 180 Ser C . 27992 1 230 . 1 . 1 65 65 SER CA C 13 58.024 0.000 . 1 . . . . . 180 Ser CA . 27992 1 231 . 1 . 1 65 65 SER CB C 13 63.766 0.073 . 1 . . . . . 180 Ser CB . 27992 1 232 . 1 . 1 65 65 SER N N 15 116.907 0.028 . 1 . . . . . 180 Ser N . 27992 1 233 . 1 . 1 66 66 SER H H 1 8.524 0.001 . 1 . . . . . 181 Ser H . 27992 1 234 . 1 . 1 66 66 SER C C 13 171.622 0.001 . 1 . . . . . 181 Ser C . 27992 1 235 . 1 . 1 66 66 SER CA C 13 58.078 0.000 . 1 . . . . . 181 Ser CA . 27992 1 236 . 1 . 1 66 66 SER CB C 13 63.493 0.048 . 1 . . . . . 181 Ser CB . 27992 1 237 . 1 . 1 66 66 SER N N 15 118.038 0.042 . 1 . . . . . 181 Ser N . 27992 1 238 . 1 . 1 67 67 ASN H H 1 8.636 0.001 . 1 . . . . . 182 Asn H . 27992 1 239 . 1 . 1 67 67 ASN C C 13 172.195 0.002 . 1 . . . . . 182 Asn C . 27992 1 240 . 1 . 1 67 67 ASN CA C 13 53.461 0.085 . 1 . . . . . 182 Asn CA . 27992 1 241 . 1 . 1 67 67 ASN CB C 13 38.856 0.071 . 1 . . . . . 182 Asn CB . 27992 1 242 . 1 . 1 67 67 ASN N N 15 120.893 0.023 . 1 . . . . . 182 Asn N . 27992 1 243 . 1 . 1 68 68 ASP H H 1 8.343 0.001 . 1 . . . . . 183 Asp H . 27992 1 244 . 1 . 1 68 68 ASP C C 13 173.846 0.027 . 1 . . . . . 183 Asp C . 27992 1 245 . 1 . 1 68 68 ASP CA C 13 54.276 0.010 . 1 . . . . . 183 Asp CA . 27992 1 246 . 1 . 1 68 68 ASP CB C 13 40.823 0.047 . 1 . . . . . 183 Asp CB . 27992 1 247 . 1 . 1 68 68 ASP N N 15 120.550 0.018 . 1 . . . . . 183 Asp N . 27992 1 248 . 1 . 1 69 69 GLY H H 1 8.423 0.002 . 1 . . . . . 184 Gly H . 27992 1 249 . 1 . 1 69 69 GLY C C 13 171.312 0.000 . 1 . . . . . 184 Gly C . 27992 1 250 . 1 . 1 69 69 GLY CA C 13 45.308 0.003 . 1 . . . . . 184 Gly CA . 27992 1 251 . 1 . 1 69 69 GLY N N 15 109.196 0.094 . 1 . . . . . 184 Gly N . 27992 1 252 . 1 . 1 70 70 THR H H 1 8.175 0.001 . 1 . . . . . 185 Thr H . 27992 1 253 . 1 . 1 70 70 THR C C 13 169.896 0.000 . 1 . . . . . 185 Thr C . 27992 1 254 . 1 . 1 70 70 THR CA C 13 60.332 0.000 . 1 . . . . . 185 Thr CA . 27992 1 255 . 1 . 1 70 70 THR CB C 13 69.541 0.000 . 1 . . . . . 185 Thr CB . 27992 1 256 . 1 . 1 70 70 THR N N 15 117.508 0.040 . 1 . . . . . 185 Thr N . 27992 1 257 . 1 . 1 71 71 PRO C C 13 174.039 0.007 . 1 . . . . . 186 Pro C . 27992 1 258 . 1 . 1 71 71 PRO CA C 13 63.054 0.000 . 1 . . . . . 186 Pro CA . 27992 1 259 . 1 . 1 71 71 PRO CB C 13 32.019 0.000 . 1 . . . . . 186 Pro CB . 27992 1 260 . 1 . 1 71 71 PRO N N 15 122.445 0.000 . 1 . . . . . 186 Pro N . 27992 1 261 . 1 . 1 72 72 ILE H H 1 8.460 0.005 . 1 . . . . . 187 Ile H . 27992 1 262 . 1 . 1 72 72 ILE C C 13 173.632 0.009 . 1 . . . . . 187 Ile C . 27992 1 263 . 1 . 1 72 72 ILE CA C 13 61.407 0.037 . 1 . . . . . 187 Ile CA . 27992 1 264 . 1 . 1 72 72 ILE CB C 13 38.457 0.012 . 1 . . . . . 187 Ile CB . 27992 1 265 . 1 . 1 72 72 ILE N N 15 122.344 0.043 . 1 . . . . . 187 Ile N . 27992 1 266 . 1 . 1 73 73 GLN H H 1 8.693 0.003 . 1 . . . . . 188 Gln H . 27992 1 267 . 1 . 1 73 73 GLN C C 13 173.519 0.005 . 1 . . . . . 188 Gln C . 27992 1 268 . 1 . 1 73 73 GLN CA C 13 55.888 0.024 . 1 . . . . . 188 Gln CA . 27992 1 269 . 1 . 1 73 73 GLN CB C 13 29.235 0.066 . 1 . . . . . 188 Gln CB . 27992 1 270 . 1 . 1 73 73 GLN N N 15 125.700 0.096 . 1 . . . . . 188 Gln N . 27992 1 271 . 1 . 1 74 74 GLY H H 1 8.669 0.002 . 1 . . . . . 189 Gly H . 27992 1 272 . 1 . 1 74 74 GLY C C 13 171.231 0.023 . 1 . . . . . 189 Gly C . 27992 1 273 . 1 . 1 74 74 GLY CA C 13 45.310 0.003 . 1 . . . . . 189 Gly CA . 27992 1 274 . 1 . 1 74 74 GLY N N 15 111.518 0.074 . 1 . . . . . 189 Gly N . 27992 1 275 . 1 . 1 75 75 SER H H 1 8.396 0.005 . 1 . . . . . 190 Ser H . 27992 1 276 . 1 . 1 75 75 SER C C 13 172.031 0.018 . 1 . . . . . 190 Ser C . 27992 1 277 . 1 . 1 75 75 SER CA C 13 58.481 0.000 . 1 . . . . . 190 Ser CA . 27992 1 278 . 1 . 1 75 75 SER CB C 13 64.059 0.000 . 1 . . . . . 190 Ser CB . 27992 1 279 . 1 . 1 75 75 SER N N 15 115.713 0.055 . 1 . . . . . 190 Ser N . 27992 1 280 . 1 . 1 76 76 SER H H 1 8.617 0.004 . 1 . . . . . 191 Ser H . 27992 1 281 . 1 . 1 76 76 SER C C 13 171.926 0.029 . 1 . . . . . 191 Ser C . 27992 1 282 . 1 . 1 76 76 SER CA C 13 58.578 0.000 . 1 . . . . . 191 Ser CA . 27992 1 283 . 1 . 1 76 76 SER CB C 13 63.708 0.000 . 1 . . . . . 191 Ser CB . 27992 1 284 . 1 . 1 76 76 SER N N 15 118.349 0.041 . 1 . . . . . 191 Ser N . 27992 1 285 . 1 . 1 77 77 LEU H H 1 8.401 0.003 . 1 . . . . . 192 Leu H . 27992 1 286 . 1 . 1 77 77 LEU C C 13 174.803 0.003 . 1 . . . . . 192 Leu C . 27992 1 287 . 1 . 1 77 77 LEU CA C 13 55.563 0.000 . 1 . . . . . 192 Leu CA . 27992 1 288 . 1 . 1 77 77 LEU CB C 13 42.125 0.000 . 1 . . . . . 192 Leu CB . 27992 1 289 . 1 . 1 77 77 LEU N N 15 123.901 0.017 . 1 . . . . . 192 Leu N . 27992 1 290 . 1 . 1 78 78 SER H H 1 8.353 0.001 . 1 . . . . . 193 Ser H . 27992 1 291 . 1 . 1 78 78 SER C C 13 171.617 0.003 . 1 . . . . . 193 Ser C . 27992 1 292 . 1 . 1 78 78 SER CA C 13 58.570 0.000 . 1 . . . . . 193 Ser CA . 27992 1 293 . 1 . 1 78 78 SER CB C 13 63.587 0.000 . 1 . . . . . 193 Ser CB . 27992 1 294 . 1 . 1 78 78 SER N N 15 116.270 0.039 . 1 . . . . . 193 Ser N . 27992 1 295 . 1 . 1 79 79 CYS H H 1 8.380 0.003 . 1 . . . . . 194 Cys H . 27992 1 296 . 1 . 1 79 79 CYS C C 13 171.549 0.002 . 1 . . . . . 194 Cys C . 27992 1 297 . 1 . 1 79 79 CYS CA C 13 58.577 0.000 . 1 . . . . . 194 Cys CA . 27992 1 298 . 1 . 1 79 79 CYS CB C 13 27.913 0.000 . 1 . . . . . 194 Cys CB . 27992 1 299 . 1 . 1 79 79 CYS N N 15 121.527 0.015 . 1 . . . . . 194 Cys N . 27992 1 300 . 1 . 1 80 80 LYS H H 1 8.438 0.002 . 1 . . . . . 195 Lys H . 27992 1 301 . 1 . 1 80 80 LYS C C 13 173.439 0.000 . 1 . . . . . 195 Lys C . 27992 1 302 . 1 . 1 80 80 LYS CA C 13 56.438 0.000 . 1 . . . . . 195 Lys CA . 27992 1 303 . 1 . 1 80 80 LYS CB C 13 32.966 0.050 . 1 . . . . . 195 Lys CB . 27992 1 304 . 1 . 1 80 80 LYS N N 15 124.305 0.046 . 1 . . . . . 195 Lys N . 27992 1 305 . 1 . 1 81 81 LYS H H 1 8.518 0.001 . 1 . . . . . 196 Lys H . 27992 1 306 . 1 . 1 81 81 LYS C C 13 172.730 0.013 . 1 . . . . . 196 Lys C . 27992 1 307 . 1 . 1 81 81 LYS CA C 13 56.257 0.020 . 1 . . . . . 196 Lys CA . 27992 1 308 . 1 . 1 81 81 LYS CB C 13 32.953 0.016 . 1 . . . . . 196 Lys CB . 27992 1 309 . 1 . 1 81 81 LYS N N 15 124.310 0.018 . 1 . . . . . 196 Lys N . 27992 1 310 . 1 . 1 82 82 ARG H H 1 8.179 0.001 . 1 . . . . . 197 Arg H . 27992 1 311 . 1 . 1 82 82 ARG C C 13 173.566 0.000 . 1 . . . . . 197 Arg C . 27992 1 312 . 1 . 1 82 82 ARG CA C 13 57.354 0.000 . 1 . . . . . 197 Arg CA . 27992 1 313 . 1 . 1 82 82 ARG CB C 13 31.314 0.000 . 1 . . . . . 197 Arg CB . 27992 1 314 . 1 . 1 82 82 ARG N N 15 128.522 0.091 . 1 . . . . . 197 Arg N . 27992 1 stop_ save_