################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51684 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chem_shift_list _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 $chem_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' . . . 51684 1 2 '3D HNCO' . . . 51684 1 3 '3D HN(CA)CO' . . . 51684 1 4 '3D HNCACB' . . . 51684 1 5 '3D CBCA(CO)NH' . . . 51684 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51684 1 3 $software_3 . . 51684 1 4 $software_4 . . 51684 1 6 $software_6 . . 51684 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 2 2 PRO C C 13 174.327 0.022 . 1 . . . . . 2 PRO CO . 51684 1 2 . 1 . 1 2 2 PRO CA C 13 63.09 0.043 . 1 . . . . . 2 PRO CA . 51684 1 3 . 1 . 1 2 2 PRO CB C 13 31.063 0.029 . 1 . . . . . 2 PRO CB . 51684 1 4 . 1 . 1 3 3 LEU H H 1 7.327 0.007 . 1 . . . . . 3 LEU HN . 51684 1 5 . 1 . 1 3 3 LEU C C 13 176.534 0.024 . 1 . . . . . 3 LEU CO . 51684 1 6 . 1 . 1 3 3 LEU CA C 13 54.397 0.008 . 1 . . . . . 3 LEU CA . 51684 1 7 . 1 . 1 3 3 LEU CB C 13 43.781 0.031 . 1 . . . . . 3 LEU CB . 51684 1 8 . 1 . 1 3 3 LEU N N 15 121.378 0.022 . 1 . . . . . 3 LEU N . 51684 1 9 . 1 . 1 4 4 TYR H H 1 8.713 0.006 . 1 . . . . . 4 TYR HN . 51684 1 10 . 1 . 1 4 4 TYR C C 13 175.018 0.024 . 1 . . . . . 4 TYR CO . 51684 1 11 . 1 . 1 4 4 TYR CA C 13 56.686 0.048 . 1 . . . . . 4 TYR CA . 51684 1 12 . 1 . 1 4 4 TYR CB C 13 42.087 0.006 . 1 . . . . . 4 TYR CB . 51684 1 13 . 1 . 1 4 4 TYR N N 15 122.406 0.051 . 1 . . . . . 4 TYR N . 51684 1 14 . 1 . 1 5 5 SER H H 1 8.557 0.002 . 1 . . . . . 5 SER HN . 51684 1 15 . 1 . 1 5 5 SER C C 13 174.867 0.026 . 1 . . . . . 5 SER CO . 51684 1 16 . 1 . 1 5 5 SER CA C 13 56.781 0.056 . 1 . . . . . 5 SER CA . 51684 1 17 . 1 . 1 5 5 SER CB C 13 64.422 0.031 . 1 . . . . . 5 SER CB . 51684 1 18 . 1 . 1 5 5 SER N N 15 116.521 0.027 . 1 . . . . . 5 SER N . 51684 1 19 . 1 . 1 6 6 VAL H H 1 9.347 0.001 . 1 . . . . . 6 VAL HN . 51684 1 20 . 1 . 1 6 6 VAL C C 13 174.102 0.025 . 1 . . . . . 6 VAL CO . 51684 1 21 . 1 . 1 6 6 VAL CA C 13 59.591 0.005 . 1 . . . . . 6 VAL CA . 51684 1 22 . 1 . 1 6 6 VAL CB C 13 35.491 0.014 . 1 . . . . . 6 VAL CB . 51684 1 23 . 1 . 1 6 6 VAL N N 15 119.958 0.024 . 1 . . . . . 6 VAL N . 51684 1 24 . 1 . 1 7 7 THR H H 1 8.734 0.003 . 1 . . . . . 7 THR HN . 51684 1 25 . 1 . 1 7 7 THR C C 13 173.991 0.012 . 1 . . . . . 7 THR CO . 51684 1 26 . 1 . 1 7 7 THR CA C 13 61.135 0.011 . 1 . . . . . 7 THR CA . 51684 1 27 . 1 . 1 7 7 THR CB C 13 70.634 0.006 . 1 . . . . . 7 THR CB . 51684 1 28 . 1 . 1 7 7 THR N N 15 117.357 0.016 . 1 . . . . . 7 THR N . 51684 1 29 . 1 . 1 8 8 VAL H H 1 9.291 0.005 . 1 . . . . . 8 VAL HN . 51684 1 30 . 1 . 1 8 8 VAL C C 13 174.901 0.031 . 1 . . . . . 8 VAL CO . 51684 1 31 . 1 . 1 8 8 VAL CA C 13 60.854 0.046 . 1 . . . . . 8 VAL CA . 51684 1 32 . 1 . 1 8 8 VAL CB C 13 35.286 0.008 . 1 . . . . . 8 VAL CB . 51684 1 33 . 1 . 1 8 8 VAL N N 15 126.008 0.017 . 1 . . . . . 8 VAL N . 51684 1 34 . 1 . 1 9 9 LYS H H 1 8.939 0.002 . 1 . . . . . 9 LYS HN . 51684 1 35 . 1 . 1 9 9 LYS C C 13 174.358 0.023 . 1 . . . . . 9 LYS CO . 51684 1 36 . 1 . 1 9 9 LYS CA C 13 55.417 0.028 . 1 . . . . . 9 LYS CA . 51684 1 37 . 1 . 1 9 9 LYS CB C 13 35.015 0.071 . 1 . . . . . 9 LYS CB . 51684 1 38 . 1 . 1 9 9 LYS N N 15 128.134 0.018 . 1 . . . . . 9 LYS N . 51684 1 39 . 1 . 1 10 10 TRP H H 1 8.476 0.002 . 1 . . . . . 10 TRP HN . 51684 1 40 . 1 . 1 10 10 TRP C C 13 175.546 0.028 . 1 . . . . . 10 TRP CO . 51684 1 41 . 1 . 1 10 10 TRP CA C 13 55.728 0.073 . 1 . . . . . 10 TRP CA . 51684 1 42 . 1 . 1 10 10 TRP CB C 13 30.597 0.058 . 1 . . . . . 10 TRP CB . 51684 1 43 . 1 . 1 10 10 TRP N N 15 126.926 0.023 . 1 . . . . . 10 TRP N . 51684 1 44 . 1 . 1 11 11 GLY H H 1 9.226 0.002 . 1 . . . . . 11 GLY HN . 51684 1 45 . 1 . 1 11 11 GLY C C 13 175.523 0.019 . 1 . . . . . 11 GLY CO . 51684 1 46 . 1 . 1 11 11 GLY CA C 13 47.066 0.008 . 1 . . . . . 11 GLY CA . 51684 1 47 . 1 . 1 11 11 GLY N N 15 117.662 0.011 . 1 . . . . . 11 GLY N . 51684 1 48 . 1 . 1 12 12 LYS H H 1 8.875 0.005 . 1 . . . . . 12 LYS HN . 51684 1 49 . 1 . 1 12 12 LYS C C 13 176.683 0.024 . 1 . . . . . 12 LYS CO . 51684 1 50 . 1 . 1 12 12 LYS CA C 13 56.495 0.024 . 1 . . . . . 12 LYS CA . 51684 1 51 . 1 . 1 12 12 LYS CB C 13 32.716 0.044 . 1 . . . . . 12 LYS CB . 51684 1 52 . 1 . 1 12 12 LYS N N 15 127.165 0.026 . 1 . . . . . 12 LYS N . 51684 1 53 . 1 . 1 13 13 GLU H H 1 8.332 0.002 . 1 . . . . . 13 GLU HN . 51684 1 54 . 1 . 1 13 13 GLU C C 13 175.771 0.021 . 1 . . . . . 13 GLU CO . 51684 1 55 . 1 . 1 13 13 GLU CA C 13 55.244 0.004 . 1 . . . . . 13 GLU CA . 51684 1 56 . 1 . 1 13 13 GLU CB C 13 31.54 0.041 . 1 . . . . . 13 GLU CB . 51684 1 57 . 1 . 1 13 13 GLU N N 15 120.465 0.019 . 1 . . . . . 13 GLU N . 51684 1 58 . 1 . 1 14 14 LYS H H 1 8.351 0.002 . 1 . . . . . 14 LYS HN . 51684 1 59 . 1 . 1 14 14 LYS C C 13 174.11 0.047 . 1 . . . . . 14 LYS CO . 51684 1 60 . 1 . 1 14 14 LYS CA C 13 55.484 0.063 . 1 . . . . . 14 LYS CA . 51684 1 61 . 1 . 1 14 14 LYS CB C 13 35.384 0.173 . 1 . . . . . 14 LYS CB . 51684 1 62 . 1 . 1 14 14 LYS N N 15 122.45 0.021 . 1 . . . . . 14 LYS N . 51684 1 63 . 1 . 1 15 15 PHE H H 1 9.312 0.003 . 1 . . . . . 15 PHE HN . 51684 1 64 . 1 . 1 15 15 PHE C C 13 174.578 0.015 . 1 . . . . . 15 PHE CO . 51684 1 65 . 1 . 1 15 15 PHE CA C 13 56.609 0.048 . 1 . . . . . 15 PHE CA . 51684 1 66 . 1 . 1 15 15 PHE CB C 13 40.006 0.018 . 1 . . . . . 15 PHE CB . 51684 1 67 . 1 . 1 15 15 PHE N N 15 126.012 0.014 . 1 . . . . . 15 PHE N . 51684 1 68 . 1 . 1 16 16 GLU H H 1 8.833 0.001 . 1 . . . . . 16 GLU HN . 51684 1 69 . 1 . 1 16 16 GLU C C 13 177.515 0.022 . 1 . . . . . 16 GLU CO . 51684 1 70 . 1 . 1 16 16 GLU CA C 13 55.812 0.068 . 1 . . . . . 16 GLU CA . 51684 1 71 . 1 . 1 16 16 GLU CB C 13 32.143 0.052 . 1 . . . . . 16 GLU CB . 51684 1 72 . 1 . 1 16 16 GLU N N 15 122.461 0.011 . 1 . . . . . 16 GLU N . 51684 1 73 . 1 . 1 17 17 GLY H H 1 8.719 0.002 . 1 . . . . . 17 GLY HN . 51684 1 74 . 1 . 1 17 17 GLY C C 13 175.36 0.024 . 1 . . . . . 17 GLY CO . 51684 1 75 . 1 . 1 17 17 GLY CA C 13 47.367 0.042 . 1 . . . . . 17 GLY CA . 51684 1 76 . 1 . 1 17 17 GLY N N 15 112.462 0.02 . 1 . . . . . 17 GLY N . 51684 1 77 . 1 . 1 18 18 VAL H H 1 8.98 0.002 . 1 . . . . . 18 VAL HN . 51684 1 78 . 1 . 1 18 18 VAL C C 13 175.84 0.024 . 1 . . . . . 18 VAL CO . 51684 1 79 . 1 . 1 18 18 VAL CA C 13 63.224 0.028 . 1 . . . . . 18 VAL CA . 51684 1 80 . 1 . 1 18 18 VAL CB C 13 32.016 0.016 . 1 . . . . . 18 VAL CB . 51684 1 81 . 1 . 1 18 18 VAL N N 15 123.616 0.014 . 1 . . . . . 18 VAL N . 51684 1 82 . 1 . 1 19 19 GLU H H 1 8.565 0.003 . 1 . . . . . 19 GLU HN . 51684 1 83 . 1 . 1 19 19 GLU C C 13 175.468 0.021 . 1 . . . . . 19 GLU CO . 51684 1 84 . 1 . 1 19 19 GLU CA C 13 56.971 0.011 . 1 . . . . . 19 GLU CA . 51684 1 85 . 1 . 1 19 19 GLU CB C 13 31.262 0.014 . 1 . . . . . 19 GLU CB . 51684 1 86 . 1 . 1 19 19 GLU N N 15 128.068 0.018 . 1 . . . . . 19 GLU N . 51684 1 87 . 1 . 1 20 20 LEU H H 1 8.617 0.002 . 1 . . . . . 20 LEU HN . 51684 1 88 . 1 . 1 20 20 LEU C C 13 174.207 0.02 . 1 . . . . . 20 LEU CO . 51684 1 89 . 1 . 1 20 20 LEU CA C 13 55.79 0.1 . 1 . . . . . 20 LEU CA . 51684 1 90 . 1 . 1 20 20 LEU CB C 13 45.909 0.041 . 1 . . . . . 20 LEU CB . 51684 1 91 . 1 . 1 20 20 LEU N N 15 126.857 0.023 . 1 . . . . . 20 LEU N . 51684 1 92 . 1 . 1 21 21 ASN H H 1 9.259 0.001 . 1 . . . . . 21 ASN HN . 51684 1 93 . 1 . 1 21 21 ASN C C 13 177.336 0.023 . 1 . . . . . 21 ASN CO . 51684 1 94 . 1 . 1 21 21 ASN CA C 13 50.904 0.036 . 1 . . . . . 21 ASN CA . 51684 1 95 . 1 . 1 21 21 ASN CB C 13 40.245 0.015 . 1 . . . . . 21 ASN CB . 51684 1 96 . 1 . 1 21 21 ASN N N 15 124.954 0.016 . 1 . . . . . 21 ASN N . 51684 1 97 . 1 . 1 22 22 THR H H 1 8.5 0.004 . 1 . . . . . 22 THR HN . 51684 1 98 . 1 . 1 22 22 THR C C 13 175.491 0.12 . 1 . . . . . 22 THR CO . 51684 1 99 . 1 . 1 22 22 THR CA C 13 63.656 0.065 . 1 . . . . . 22 THR CA . 51684 1 100 . 1 . 1 22 22 THR CB C 13 68.154 0.058 . 1 . . . . . 22 THR CB . 51684 1 101 . 1 . 1 22 22 THR N N 15 115.325 0.024 . 1 . . . . . 22 THR N . 51684 1 102 . 1 . 1 23 23 ASP H H 1 8.524 0.004 . 1 . . . . . 23 ASP HN . 51684 1 103 . 1 . 1 23 23 ASP C C 13 176.617 0.03 . 1 . . . . . 23 ASP CO . 51684 1 104 . 1 . 1 23 23 ASP CA C 13 55.478 0.022 . 1 . . . . . 23 ASP CA . 51684 1 105 . 1 . 1 23 23 ASP CB C 13 41.21 0.093 . 1 . . . . . 23 ASP CB . 51684 1 106 . 1 . 1 23 23 ASP N N 15 121.686 0.02 . 1 . . . . . 23 ASP N . 51684 1 107 . 1 . 1 24 24 GLU H H 1 7.358 0.003 . 1 . . . . . 24 GLU HN . 51684 1 108 . 1 . 1 24 24 GLU C C 13 173.51 0 . 1 . . . . . 24 GLU CO . 51684 1 109 . 1 . 1 24 24 GLU CA C 13 53.403 0 . 1 . . . . . 24 GLU CA . 51684 1 110 . 1 . 1 24 24 GLU CB C 13 31.049 0 . 1 . . . . . 24 GLU CB . 51684 1 111 . 1 . 1 24 24 GLU N N 15 119.428 0.029 . 1 . . . . . 24 GLU N . 51684 1 112 . 1 . 1 26 26 PRO C C 13 178.163 0.026 . 1 . . . . . 26 PRO CO . 51684 1 113 . 1 . 1 26 26 PRO CA C 13 64.896 0.07 . 1 . . . . . 26 PRO CA . 51684 1 114 . 1 . 1 26 26 PRO CB C 13 31.162 0 . 1 . . . . . 26 PRO CB . 51684 1 115 . 1 . 1 27 27 MET H H 1 7.807 0.003 . 1 . . . . . 27 MET HN . 51684 1 116 . 1 . 1 27 27 MET C C 13 177.626 0.02 . 1 . . . . . 27 MET CO . 51684 1 117 . 1 . 1 27 27 MET CA C 13 58.215 0.025 . 1 . . . . . 27 MET CA . 51684 1 118 . 1 . 1 27 27 MET CB C 13 32.132 0.152 . 1 . . . . . 27 MET CB . 51684 1 119 . 1 . 1 27 27 MET N N 15 113.489 0.021 . 1 . . . . . 27 MET N . 51684 1 120 . 1 . 1 28 28 VAL H H 1 7.978 0.003 . 1 . . . . . 28 VAL HN . 51684 1 121 . 1 . 1 28 28 VAL C C 13 178.571 0.024 . 1 . . . . . 28 VAL CO . 51684 1 122 . 1 . 1 28 28 VAL CA C 13 66.806 0.028 . 1 . . . . . 28 VAL CA . 51684 1 123 . 1 . 1 28 28 VAL CB C 13 31.932 0.039 . 1 . . . . . 28 VAL CB . 51684 1 124 . 1 . 1 28 28 VAL N N 15 121.258 0.03 . 1 . . . . . 28 VAL N . 51684 1 125 . 1 . 1 29 29 PHE H H 1 6.983 0.002 . 1 . . . . . 29 PHE HN . 51684 1 126 . 1 . 1 29 29 PHE C C 13 178.117 0.023 . 1 . . . . . 29 PHE CO . 51684 1 127 . 1 . 1 29 29 PHE CA C 13 60.845 0.023 . 1 . . . . . 29 PHE CA . 51684 1 128 . 1 . 1 29 29 PHE CB C 13 39.459 0.001 . 1 . . . . . 29 PHE CB . 51684 1 129 . 1 . 1 29 29 PHE N N 15 123.167 0.014 . 1 . . . . . 29 PHE N . 51684 1 130 . 1 . 1 30 30 LYS H H 1 8.464 0.003 . 1 . . . . . 30 LYS HN . 51684 1 131 . 1 . 1 30 30 LYS C C 13 180.263 0.024 . 1 . . . . . 30 LYS CO . 51684 1 132 . 1 . 1 30 30 LYS CA C 13 60.367 0.02 . 1 . . . . . 30 LYS CA . 51684 1 133 . 1 . 1 30 30 LYS CB C 13 32.986 0 . 1 . . . . . 30 LYS CB . 51684 1 134 . 1 . 1 30 30 LYS N N 15 118.233 0.019 . 1 . . . . . 30 LYS N . 51684 1 135 . 1 . 1 31 31 ALA H H 1 8.349 0.003 . 1 . . . . . 31 ALA HN . 51684 1 136 . 1 . 1 31 31 ALA C C 13 181.154 0.077 . 1 . . . . . 31 ALA CO . 51684 1 137 . 1 . 1 31 31 ALA CA C 13 55.87 0.082 . 1 . . . . . 31 ALA CA . 51684 1 138 . 1 . 1 31 31 ALA CB C 13 17.515 0.026 . 1 . . . . . 31 ALA CB . 51684 1 139 . 1 . 1 31 31 ALA N N 15 124.209 0.033 . 1 . . . . . 31 ALA N . 51684 1 140 . 1 . 1 32 32 GLN H H 1 7.661 0.003 . 1 . . . . . 32 GLN HN . 51684 1 141 . 1 . 1 32 32 GLN C C 13 179.062 0.025 . 1 . . . . . 32 GLN CO . 51684 1 142 . 1 . 1 32 32 GLN CA C 13 58.761 0.004 . 1 . . . . . 32 GLN CA . 51684 1 143 . 1 . 1 32 32 GLN CB C 13 28.21 0.014 . 1 . . . . . 32 GLN CB . 51684 1 144 . 1 . 1 32 32 GLN N N 15 122.28 0.017 . 1 . . . . . 32 GLN N . 51684 1 145 . 1 . 1 33 33 LEU H H 1 8.005 0.003 . 1 . . . . . 33 LEU HN . 51684 1 146 . 1 . 1 33 33 LEU C C 13 181.144 0.07 . 1 . . . . . 33 LEU CO . 51684 1 147 . 1 . 1 33 33 LEU CA C 13 57.681 0.041 . 1 . . . . . 33 LEU CA . 51684 1 148 . 1 . 1 33 33 LEU CB C 13 39.807 0.03 . 1 . . . . . 33 LEU CB . 51684 1 149 . 1 . 1 33 33 LEU N N 15 118.544 0.024 . 1 . . . . . 33 LEU N . 51684 1 150 . 1 . 1 34 34 PHE H H 1 8.326 0.004 . 1 . . . . . 34 PHE HN . 51684 1 151 . 1 . 1 34 34 PHE C C 13 177.815 0.025 . 1 . . . . . 34 PHE CO . 51684 1 152 . 1 . 1 34 34 PHE CA C 13 58.936 0.019 . 1 . . . . . 34 PHE CA . 51684 1 153 . 1 . 1 34 34 PHE CB C 13 38.346 0.043 . 1 . . . . . 34 PHE CB . 51684 1 154 . 1 . 1 34 34 PHE N N 15 125.157 0.026 . 1 . . . . . 34 PHE N . 51684 1 155 . 1 . 1 35 35 ALA H H 1 7.406 0.002 . 1 . . . . . 35 ALA HN . 51684 1 156 . 1 . 1 35 35 ALA C C 13 179.31 0.019 . 1 . . . . . 35 ALA CO . 51684 1 157 . 1 . 1 35 35 ALA CA C 13 55.033 0.038 . 1 . . . . . 35 ALA CA . 51684 1 158 . 1 . 1 35 35 ALA CB C 13 17.542 0.022 . 1 . . . . . 35 ALA CB . 51684 1 159 . 1 . 1 35 35 ALA N N 15 124.316 0.014 . 1 . . . . . 35 ALA N . 51684 1 160 . 1 . 1 36 36 LEU H H 1 7.031 0.002 . 1 . . . . . 36 LEU HN . 51684 1 161 . 1 . 1 36 36 LEU C C 13 178.087 0.024 . 1 . . . . . 36 LEU CO . 51684 1 162 . 1 . 1 36 36 LEU CA C 13 56.92 0 . 1 . . . . . 36 LEU CA . 51684 1 163 . 1 . 1 36 36 LEU CB C 13 43.419 0.007 . 1 . . . . . 36 LEU CB . 51684 1 164 . 1 . 1 36 36 LEU N N 15 114.195 0.018 . 1 . . . . . 36 LEU N . 51684 1 165 . 1 . 1 37 37 THR H H 1 7.33 0.004 . 1 . . . . . 37 THR HN . 51684 1 166 . 1 . 1 37 37 THR C C 13 175.133 0.024 . 1 . . . . . 37 THR CO . 51684 1 167 . 1 . 1 37 37 THR CA C 13 62.839 0.045 . 1 . . . . . 37 THR CA . 51684 1 168 . 1 . 1 37 37 THR CB C 13 72.414 0 . 1 . . . . . 37 THR CB . 51684 1 169 . 1 . 1 37 37 THR N N 15 104.565 0.026 . 1 . . . . . 37 THR N . 51684 1 170 . 1 . 1 38 38 GLY H H 1 8.348 0.003 . 1 . . . . . 38 GLY HN . 51684 1 171 . 1 . 1 38 38 GLY C C 13 173.548 0.033 . 1 . . . . . 38 GLY CO . 51684 1 172 . 1 . 1 38 38 GLY CA C 13 45.392 0.029 . 1 . . . . . 38 GLY CA . 51684 1 173 . 1 . 1 38 38 GLY N N 15 111.1 0.033 . 1 . . . . . 38 GLY N . 51684 1 174 . 1 . 1 39 39 VAL H H 1 7.779 0.003 . 1 . . . . . 39 VAL HN . 51684 1 175 . 1 . 1 39 39 VAL C C 13 175.13 0.025 . 1 . . . . . 39 VAL CO . 51684 1 176 . 1 . 1 39 39 VAL CA C 13 62.696 0.039 . 1 . . . . . 39 VAL CA . 51684 1 177 . 1 . 1 39 39 VAL CB C 13 30.96 0.035 . 1 . . . . . 39 VAL CB . 51684 1 178 . 1 . 1 39 39 VAL N N 15 121.353 0.014 . 1 . . . . . 39 VAL N . 51684 1 179 . 1 . 1 40 40 GLN H H 1 8.773 0.001 . 1 . . . . . 40 GLN HN . 51684 1 180 . 1 . 1 40 40 GLN C C 13 175.385 0 . 1 . . . . . 40 GLN CO . 51684 1 181 . 1 . 1 40 40 GLN CA C 13 55.444 0 . 1 . . . . . 40 GLN CA . 51684 1 182 . 1 . 1 40 40 GLN CB C 13 26.841 0 . 1 . . . . . 40 GLN CB . 51684 1 183 . 1 . 1 40 40 GLN N N 15 129.612 0.019 . 1 . . . . . 40 GLN N . 51684 1 184 . 1 . 1 41 41 PRO C C 13 177.95 0.026 . 1 . . . . . 41 PRO CO . 51684 1 185 . 1 . 1 41 41 PRO CA C 13 66.895 0 . 1 . . . . . 41 PRO CA . 51684 1 186 . 1 . 1 41 41 PRO CB C 13 32.811 0 . 1 . . . . . 41 PRO CB . 51684 1 187 . 1 . 1 42 42 ALA H H 1 8.369 0.003 . 1 . . . . . 42 ALA HN . 51684 1 188 . 1 . 1 42 42 ALA C C 13 178.731 0.018 . 1 . . . . . 42 ALA CO . 51684 1 189 . 1 . 1 42 42 ALA CA C 13 54.397 0.005 . 1 . . . . . 42 ALA CA . 51684 1 190 . 1 . 1 42 42 ALA CB C 13 18.986 0.035 . 1 . . . . . 42 ALA CB . 51684 1 191 . 1 . 1 42 42 ALA N N 15 116.439 0.087 . 1 . . . . . 42 ALA N . 51684 1 192 . 1 . 1 43 43 ARG H H 1 7.923 0.004 . 1 . . . . . 43 ARG HN . 51684 1 193 . 1 . 1 43 43 ARG C C 13 175.773 0.021 . 1 . . . . . 43 ARG CO . 51684 1 194 . 1 . 1 43 43 ARG CA C 13 55.216 0.05 . 1 . . . . . 43 ARG CA . 51684 1 195 . 1 . 1 43 43 ARG CB C 13 31.076 0.002 . 1 . . . . . 43 ARG CB . 51684 1 196 . 1 . 1 43 43 ARG N N 15 115.146 0.017 . 1 . . . . . 43 ARG N . 51684 1 197 . 1 . 1 44 44 GLN H H 1 7.116 0.001 . 1 . . . . . 44 GLN HN . 51684 1 198 . 1 . 1 44 44 GLN C C 13 177.73 0.03 . 1 . . . . . 44 GLN CO . 51684 1 199 . 1 . 1 44 44 GLN CA C 13 56.2 0.002 . 1 . . . . . 44 GLN CA . 51684 1 200 . 1 . 1 44 44 GLN CB C 13 30.98 0.024 . 1 . . . . . 44 GLN CB . 51684 1 201 . 1 . 1 44 44 GLN N N 15 118.545 0.014 . 1 . . . . . 44 GLN N . 51684 1 202 . 1 . 1 45 45 LYS H H 1 8.767 0.005 . 1 . . . . . 45 LYS HN . 51684 1 203 . 1 . 1 45 45 LYS C C 13 174.727 0.015 . 1 . . . . . 45 LYS CO . 51684 1 204 . 1 . 1 45 45 LYS CA C 13 56.118 0.054 . 1 . . . . . 45 LYS CA . 51684 1 205 . 1 . 1 45 45 LYS CB C 13 33.962 0.044 . 1 . . . . . 45 LYS CB . 51684 1 206 . 1 . 1 45 45 LYS N N 15 124.32 0.019 . 1 . . . . . 45 LYS N . 51684 1 207 . 1 . 1 46 46 VAL H H 1 9.095 0.004 . 1 . . . . . 46 VAL HN . 51684 1 208 . 1 . 1 46 46 VAL C C 13 174.942 0.049 . 1 . . . . . 46 VAL CO . 51684 1 209 . 1 . 1 46 46 VAL CA C 13 61.665 0.12 . 1 . . . . . 46 VAL CA . 51684 1 210 . 1 . 1 46 46 VAL CB C 13 32.308 0.024 . 1 . . . . . 46 VAL CB . 51684 1 211 . 1 . 1 46 46 VAL N N 15 127.169 0.031 . 1 . . . . . 46 VAL N . 51684 1 212 . 1 . 1 47 47 MET H H 1 9.293 0.004 . 1 . . . . . 47 MET HN . 51684 1 213 . 1 . 1 47 47 MET C C 13 175.947 0.027 . 1 . . . . . 47 MET CO . 51684 1 214 . 1 . 1 47 47 MET CA C 13 54.816 0.057 . 1 . . . . . 47 MET CA . 51684 1 215 . 1 . 1 47 47 MET CB C 13 34.474 0.053 . 1 . . . . . 47 MET CB . 51684 1 216 . 1 . 1 47 47 MET N N 15 125.99 0.033 . 1 . . . . . 47 MET N . 51684 1 217 . 1 . 1 48 48 VAL H H 1 8.554 0.004 . 1 . . . . . 48 VAL HN . 51684 1 218 . 1 . 1 48 48 VAL C C 13 175.611 0.012 . 1 . . . . . 48 VAL CO . 51684 1 219 . 1 . 1 48 48 VAL CA C 13 60.414 0.073 . 1 . . . . . 48 VAL CA . 51684 1 220 . 1 . 1 48 48 VAL CB C 13 34.173 0.029 . 1 . . . . . 48 VAL CB . 51684 1 221 . 1 . 1 48 48 VAL N N 15 119.83 0.056 . 1 . . . . . 48 VAL N . 51684 1 222 . 1 . 1 49 49 LYS H H 1 9.112 0.005 . 1 . . . . . 49 LYS HN . 51684 1 223 . 1 . 1 49 49 LYS C C 13 177.045 0.008 . 1 . . . . . 49 LYS CO . 51684 1 224 . 1 . 1 49 49 LYS CA C 13 58.117 0.013 . 1 . . . . . 49 LYS CA . 51684 1 225 . 1 . 1 49 49 LYS CB C 13 31.176 0.025 . 1 . . . . . 49 LYS CB . 51684 1 226 . 1 . 1 49 49 LYS N N 15 126.624 0.013 . 1 . . . . . 49 LYS N . 51684 1 227 . 1 . 1 50 50 GLY H H 1 8.729 0.004 . 1 . . . . . 50 GLY HN . 51684 1 228 . 1 . 1 50 50 GLY C C 13 174.385 0.021 . 1 . . . . . 50 GLY CO . 51684 1 229 . 1 . 1 50 50 GLY CA C 13 45.695 0.011 . 1 . . . . . 50 GLY CA . 51684 1 230 . 1 . 1 50 50 GLY N N 15 109.408 0.046 . 1 . . . . . 50 GLY N . 51684 1 231 . 1 . 1 51 51 GLY H H 1 8.057 0.004 . 1 . . . . . 51 GLY HN . 51684 1 232 . 1 . 1 51 51 GLY C C 13 172.241 0.022 . 1 . . . . . 51 GLY CO . 51684 1 233 . 1 . 1 51 51 GLY CA C 13 45.031 0.026 . 1 . . . . . 51 GLY CA . 51684 1 234 . 1 . 1 51 51 GLY N N 15 109.388 0.027 . 1 . . . . . 51 GLY N . 51684 1 235 . 1 . 1 52 52 THR H H 1 8.245 0.001 . 1 . . . . . 52 THR HN . 51684 1 236 . 1 . 1 52 52 THR C C 13 174.945 0.025 . 1 . . . . . 52 THR CO . 51684 1 237 . 1 . 1 52 52 THR CA C 13 61.413 0.036 . 1 . . . . . 52 THR CA . 51684 1 238 . 1 . 1 52 52 THR CB C 13 70.62 0.035 . 1 . . . . . 52 THR CB . 51684 1 239 . 1 . 1 52 52 THR N N 15 115.804 0.013 . 1 . . . . . 52 THR N . 51684 1 240 . 1 . 1 53 53 LEU H H 1 8.693 0.003 . 1 . . . . . 53 LEU HN . 51684 1 241 . 1 . 1 53 53 LEU C C 13 177.509 0.021 . 1 . . . . . 53 LEU CO . 51684 1 242 . 1 . 1 53 53 LEU CA C 13 55.465 0.033 . 1 . . . . . 53 LEU CA . 51684 1 243 . 1 . 1 53 53 LEU CB C 13 44 0.007 . 1 . . . . . 53 LEU CB . 51684 1 244 . 1 . 1 53 53 LEU N N 15 126.192 0.019 . 1 . . . . . 53 LEU N . 51684 1 245 . 1 . 1 54 54 LYS H H 1 9.071 0.003 . 1 . . . . . 54 LYS HN . 51684 1 246 . 1 . 1 54 54 LYS C C 13 174.756 0.023 . 1 . . . . . 54 LYS CO . 51684 1 247 . 1 . 1 54 54 LYS CA C 13 55.802 0.034 . 1 . . . . . 54 LYS CA . 51684 1 248 . 1 . 1 54 54 LYS CB C 13 32.539 0.073 . 1 . . . . . 54 LYS CB . 51684 1 249 . 1 . 1 54 54 LYS N N 15 130.461 0.013 . 1 . . . . . 54 LYS N . 51684 1 250 . 1 . 1 55 55 ASP H H 1 8.071 0.003 . 1 . . . . . 55 ASP HN . 51684 1 251 . 1 . 1 55 55 ASP C C 13 177.918 0.023 . 1 . . . . . 55 ASP CO . 51684 1 252 . 1 . 1 55 55 ASP CA C 13 57.051 0.021 . 1 . . . . . 55 ASP CA . 51684 1 253 . 1 . 1 55 55 ASP CB C 13 42.214 0.038 . 1 . . . . . 55 ASP CB . 51684 1 254 . 1 . 1 55 55 ASP N N 15 114.793 0.025 . 1 . . . . . 55 ASP N . 51684 1 255 . 1 . 1 56 56 ASP H H 1 8.335 0.005 . 1 . . . . . 56 ASP HN . 51684 1 256 . 1 . 1 56 56 ASP C C 13 175.721 0.02 . 1 . . . . . 56 ASP CO . 51684 1 257 . 1 . 1 56 56 ASP CA C 13 54.809 0.007 . 1 . . . . . 56 ASP CA . 51684 1 258 . 1 . 1 56 56 ASP CB C 13 41.749 0.017 . 1 . . . . . 56 ASP CB . 51684 1 259 . 1 . 1 56 56 ASP N N 15 114.481 0.018 . 1 . . . . . 56 ASP N . 51684 1 260 . 1 . 1 57 57 ASP H H 1 6.8 0.001 . 1 . . . . . 57 ASP HN . 51684 1 261 . 1 . 1 57 57 ASP C C 13 174.834 0.023 . 1 . . . . . 57 ASP CO . 51684 1 262 . 1 . 1 57 57 ASP CA C 13 53.639 0.04 . 1 . . . . . 57 ASP CA . 51684 1 263 . 1 . 1 57 57 ASP CB C 13 44.635 0.128 . 1 . . . . . 57 ASP CB . 51684 1 264 . 1 . 1 57 57 ASP N N 15 117.674 0.016 . 1 . . . . . 57 ASP N . 51684 1 265 . 1 . 1 58 58 TRP H H 1 8.927 0.003 . 1 . . . . . 58 TRP HN . 51684 1 266 . 1 . 1 58 58 TRP C C 13 176.94 0.029 . 1 . . . . . 58 TRP CO . 51684 1 267 . 1 . 1 58 58 TRP CA C 13 59.667 0.042 . 1 . . . . . 58 TRP CA . 51684 1 268 . 1 . 1 58 58 TRP CB C 13 29.472 0.074 . 1 . . . . . 58 TRP CB . 51684 1 269 . 1 . 1 58 58 TRP N N 15 125.52 0.017 . 1 . . . . . 58 TRP N . 51684 1 270 . 1 . 1 59 59 GLY H H 1 8.785 0.004 . 1 . . . . . 59 GLY HN . 51684 1 271 . 1 . 1 59 59 GLY C C 13 175.101 0 . 1 . . . . . 59 GLY CO . 51684 1 272 . 1 . 1 59 59 GLY CA C 13 47.048 0 . 1 . . . . . 59 GLY CA . 51684 1 273 . 1 . 1 59 59 GLY N N 15 107.736 0.026 . 1 . . . . . 59 GLY N . 51684 1 274 . 1 . 1 60 60 ASN C C 13 175.394 0 . 1 . . . . . 60 ASN CO . 51684 1 275 . 1 . 1 60 60 ASN CA C 13 52.894 0 . 1 . . . . . 60 ASN CA . 51684 1 276 . 1 . 1 60 60 ASN CB C 13 38.391 0 . 1 . . . . . 60 ASN CB . 51684 1 277 . 1 . 1 61 61 ILE H H 1 7.681 0.001 . 1 . . . . . 61 ILE HN . 51684 1 278 . 1 . 1 61 61 ILE C C 13 175.087 0.027 . 1 . . . . . 61 ILE CO . 51684 1 279 . 1 . 1 61 61 ILE CA C 13 61.967 0.002 . 1 . . . . . 61 ILE CA . 51684 1 280 . 1 . 1 61 61 ILE CB C 13 38.704 0.037 . 1 . . . . . 61 ILE CB . 51684 1 281 . 1 . 1 61 61 ILE N N 15 120.109 0.011 . 1 . . . . . 61 ILE N . 51684 1 282 . 1 . 1 62 62 LYS H H 1 8.172 0.008 . 1 . . . . . 62 LYS HN . 51684 1 283 . 1 . 1 62 62 LYS C C 13 175.024 0.019 . 1 . . . . . 62 LYS CO . 51684 1 284 . 1 . 1 62 62 LYS CA C 13 54.566 0.028 . 1 . . . . . 62 LYS CA . 51684 1 285 . 1 . 1 62 62 LYS CB C 13 32.44 0.013 . 1 . . . . . 62 LYS CB . 51684 1 286 . 1 . 1 62 62 LYS N N 15 127.354 0.017 . 1 . . . . . 62 LYS N . 51684 1 287 . 1 . 1 63 63 ILE H H 1 7.982 0.002 . 1 . . . . . 63 ILE HN . 51684 1 288 . 1 . 1 63 63 ILE C C 13 174.3 0.025 . 1 . . . . . 63 ILE CO . 51684 1 289 . 1 . 1 63 63 ILE CA C 13 58.219 0.003 . 1 . . . . . 63 ILE CA . 51684 1 290 . 1 . 1 63 63 ILE CB C 13 37.082 0.017 . 1 . . . . . 63 ILE CB . 51684 1 291 . 1 . 1 63 63 ILE N N 15 125.903 0.013 . 1 . . . . . 63 ILE N . 51684 1 292 . 1 . 1 64 64 LYS H H 1 7.155 0.001 . 1 . . . . . 64 LYS HN . 51684 1 293 . 1 . 1 64 64 LYS C C 13 175.371 0.027 . 1 . . . . . 64 LYS CO . 51684 1 294 . 1 . 1 64 64 LYS CA C 13 54.239 0.001 . 1 . . . . . 64 LYS CA . 51684 1 295 . 1 . 1 64 64 LYS CB C 13 36.163 0.098 . 1 . . . . . 64 LYS CB . 51684 1 296 . 1 . 1 64 64 LYS N N 15 123.692 0.01 . 1 . . . . . 64 LYS N . 51684 1 297 . 1 . 1 65 65 ASN H H 1 8.897 0.001 . 1 . . . . . 65 ASN HN . 51684 1 298 . 1 . 1 65 65 ASN C C 13 178.054 0.024 . 1 . . . . . 65 ASN CO . 51684 1 299 . 1 . 1 65 65 ASN CA C 13 54.975 0.082 . 1 . . . . . 65 ASN CA . 51684 1 300 . 1 . 1 65 65 ASN CB C 13 38.549 0.017 . 1 . . . . . 65 ASN CB . 51684 1 301 . 1 . 1 65 65 ASN N N 15 120.815 0.019 . 1 . . . . . 65 ASN N . 51684 1 302 . 1 . 1 66 66 GLY H H 1 9.486 0.002 . 1 . . . . . 66 GLY HN . 51684 1 303 . 1 . 1 66 66 GLY C C 13 174.585 0.028 . 1 . . . . . 66 GLY CO . 51684 1 304 . 1 . 1 66 66 GLY CA C 13 45.559 0.031 . 1 . . . . . 66 GLY CA . 51684 1 305 . 1 . 1 66 66 GLY N N 15 111.232 0.017 . 1 . . . . . 66 GLY N . 51684 1 306 . 1 . 1 67 67 MET H H 1 7.6 0.002 . 1 . . . . . 67 MET HN . 51684 1 307 . 1 . 1 67 67 MET C C 13 173.02 0.024 . 1 . . . . . 67 MET CO . 51684 1 308 . 1 . 1 67 67 MET CA C 13 56.415 0.01 . 1 . . . . . 67 MET CA . 51684 1 309 . 1 . 1 67 67 MET CB C 13 33.954 0.014 . 1 . . . . . 67 MET CB . 51684 1 310 . 1 . 1 67 67 MET N N 15 119.467 0.02 . 1 . . . . . 67 MET N . 51684 1 311 . 1 . 1 68 68 THR H H 1 8.39 0.003 . 1 . . . . . 68 THR HN . 51684 1 312 . 1 . 1 68 68 THR C C 13 174.402 0.041 . 1 . . . . . 68 THR CO . 51684 1 313 . 1 . 1 68 68 THR CA C 13 62.341 0.034 . 1 . . . . . 68 THR CA . 51684 1 314 . 1 . 1 68 68 THR CB C 13 70.205 0.035 . 1 . . . . . 68 THR CB . 51684 1 315 . 1 . 1 68 68 THR N N 15 116.871 0.049 . 1 . . . . . 68 THR N . 51684 1 316 . 1 . 1 69 69 LEU H H 1 9.413 0.003 . 1 . . . . . 69 LEU HN . 51684 1 317 . 1 . 1 69 69 LEU C C 13 174.365 0.017 . 1 . . . . . 69 LEU CO . 51684 1 318 . 1 . 1 69 69 LEU CA C 13 54.922 0.009 . 1 . . . . . 69 LEU CA . 51684 1 319 . 1 . 1 69 69 LEU CB C 13 44.507 0.006 . 1 . . . . . 69 LEU CB . 51684 1 320 . 1 . 1 69 69 LEU N N 15 128.9 0.034 . 1 . . . . . 69 LEU N . 51684 1 321 . 1 . 1 70 70 LEU H H 1 8.417 0.007 . 1 . . . . . 70 LEU HN . 51684 1 322 . 1 . 1 70 70 LEU C C 13 175.197 0.026 . 1 . . . . . 70 LEU CO . 51684 1 323 . 1 . 1 70 70 LEU CA C 13 53.97 0.018 . 1 . . . . . 70 LEU CA . 51684 1 324 . 1 . 1 70 70 LEU CB C 13 44.969 0.084 . 1 . . . . . 70 LEU CB . 51684 1 325 . 1 . 1 70 70 LEU N N 15 122.946 0.016 . 1 . . . . . 70 LEU N . 51684 1 326 . 1 . 1 71 71 MET H H 1 9.188 0.002 . 1 . . . . . 71 MET HN . 51684 1 327 . 1 . 1 71 71 MET C C 13 174.925 0.036 . 1 . . . . . 71 MET CO . 51684 1 328 . 1 . 1 71 71 MET CA C 13 54.772 0.07 . 1 . . . . . 71 MET CA . 51684 1 329 . 1 . 1 71 71 MET CB C 13 35.905 0.039 . 1 . . . . . 71 MET CB . 51684 1 330 . 1 . 1 71 71 MET N N 15 124.146 0.03 . 1 . . . . . 71 MET N . 51684 1 331 . 1 . 1 72 72 MET H H 1 9.195 0.001 . 1 . . . . . 72 MET HN . 51684 1 332 . 1 . 1 72 72 MET C C 13 175.412 0.025 . 1 . . . . . 72 MET CO . 51684 1 333 . 1 . 1 72 72 MET CA C 13 54.561 0.009 . 1 . . . . . 72 MET CA . 51684 1 334 . 1 . 1 72 72 MET CB C 13 35.712 0.015 . 1 . . . . . 72 MET CB . 51684 1 335 . 1 . 1 72 72 MET N N 15 125.163 0.028 . 1 . . . . . 72 MET N . 51684 1 336 . 1 . 1 73 73 GLY H H 1 8.751 0.003 . 1 . . . . . 73 GLY HN . 51684 1 337 . 1 . 1 73 73 GLY C C 13 172.937 0.026 . 1 . . . . . 73 GLY CO . 51684 1 338 . 1 . 1 73 73 GLY CA C 13 45.451 0.01 . 1 . . . . . 73 GLY CA . 51684 1 339 . 1 . 1 73 73 GLY N N 15 110.056 0.029 . 1 . . . . . 73 GLY N . 51684 1 340 . 1 . 1 74 74 SER H H 1 8.428 0.002 . 1 . . . . . 74 SER HN . 51684 1 341 . 1 . 1 74 74 SER C C 13 173.879 0.029 . 1 . . . . . 74 SER CO . 51684 1 342 . 1 . 1 74 74 SER CA C 13 57.341 0 . 1 . . . . . 74 SER CA . 51684 1 343 . 1 . 1 74 74 SER CB C 13 65.664 0.047 . 1 . . . . . 74 SER CB . 51684 1 344 . 1 . 1 74 74 SER N N 15 115.051 0.014 . 1 . . . . . 74 SER N . 51684 1 345 . 1 . 1 75 75 ALA H H 1 9.084 0.002 . 1 . . . . . 75 ALA HN . 51684 1 346 . 1 . 1 75 75 ALA C C 13 177.083 0.704 . 1 . . . . . 75 ALA CO . 51684 1 347 . 1 . 1 75 75 ALA CA C 13 52.706 0.049 . 1 . . . . . 75 ALA CA . 51684 1 348 . 1 . 1 75 75 ALA CB C 13 19.67 0.116 . 1 . . . . . 75 ALA CB . 51684 1 349 . 1 . 1 75 75 ALA N N 15 126.63 0.021 . 1 . . . . . 75 ALA N . 51684 1 350 . 1 . 1 76 76 ASP H H 1 8.291 0.009 . 1 . . . . . 76 ASP HN . 51684 1 351 . 1 . 1 76 76 ASP C C 13 175.9 0.022 . 1 . . . . . 76 ASP CO . 51684 1 352 . 1 . 1 76 76 ASP CA C 13 54.56 0.072 . 1 . . . . . 76 ASP CA . 51684 1 353 . 1 . 1 76 76 ASP CB C 13 41.624 0.018 . 1 . . . . . 76 ASP CB . 51684 1 354 . 1 . 1 76 76 ASP N N 15 119.759 0.06 . 1 . . . . . 76 ASP N . 51684 1 355 . 1 . 1 77 77 ALA H H 1 8.181 0.001 . 1 . . . . . 77 ALA HN . 51684 1 356 . 1 . 1 77 77 ALA C C 13 177.34 0.021 . 1 . . . . . 77 ALA CO . 51684 1 357 . 1 . 1 77 77 ALA CA C 13 52.306 0.069 . 1 . . . . . 77 ALA CA . 51684 1 358 . 1 . 1 77 77 ALA CB C 13 19.765 0.029 . 1 . . . . . 77 ALA CB . 51684 1 359 . 1 . 1 77 77 ALA N N 15 124.325 0.056 . 1 . . . . . 77 ALA N . 51684 1 360 . 1 . 1 78 78 LEU H H 1 8.285 0.003 . 1 . . . . . 78 LEU HN . 51684 1 361 . 1 . 1 78 78 LEU C C 13 175.527 0 . 1 . . . . . 78 LEU CO . 51684 1 362 . 1 . 1 78 78 LEU CA C 13 53.01 0 . 1 . . . . . 78 LEU CA . 51684 1 363 . 1 . 1 78 78 LEU CB C 13 41.84 0 . 1 . . . . . 78 LEU CB . 51684 1 364 . 1 . 1 78 78 LEU N N 15 123.489 0.063 . 1 . . . . . 78 LEU N . 51684 1 365 . 1 . 1 79 79 PRO C C 13 176.131 0.023 . 1 . . . . . 79 PRO CO . 51684 1 366 . 1 . 1 79 79 PRO CA C 13 63.415 0.015 . 1 . . . . . 79 PRO CA . 51684 1 367 . 1 . 1 79 79 PRO CB C 13 32.014 0 . 1 . . . . . 79 PRO CB . 51684 1 368 . 1 . 1 80 80 GLU H H 1 7.987 0.125 . 1 . . . . . 80 GLU HN . 51684 1 369 . 1 . 1 80 80 GLU C C 13 181.33 0 . 1 . . . . . 80 GLU CO . 51684 1 370 . 1 . 1 80 80 GLU CA C 13 58.168 0 . 1 . . . . . 80 GLU CA . 51684 1 371 . 1 . 1 80 80 GLU CB C 13 31.684 0 . 1 . . . . . 80 GLU CB . 51684 1 372 . 1 . 1 80 80 GLU N N 15 125.879 1.566 . 1 . . . . . 80 GLU N . 51684 1 stop_ save_