################################### # 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 18516 _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' . . . 18516 1 2 '3D HNCO' . . . 18516 1 3 '3D HNCA' . . . 18516 1 4 '3D HNCACB' . . . 18516 1 5 '3D HN(CO)CA' . . . 18516 1 6 '3D CBCA(CO)NH' . . . 18516 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU CA C 13 55.728 0.000 . 1 . . . . 302 LEU CA . 18516 1 2 . 1 1 2 2 LEU CB C 13 42.446 0.000 . 1 . . . . 302 LEU CB . 18516 1 3 . 1 1 3 3 GLY H H 1 8.756 0.001 . 1 . . . . 303 GLY HN . 18516 1 4 . 1 1 3 3 GLY C C 13 176.156 0.000 . 1 . . . . 303 GLY CO . 18516 1 5 . 1 1 3 3 GLY CA C 13 45.294 0.009 . 1 . . . . 303 GLY CA . 18516 1 6 . 1 1 3 3 GLY N N 15 110.740 0.005 . 1 . . . . 303 GLY N . 18516 1 7 . 1 1 4 4 GLU H H 1 8.269 0.016 . 1 . . . . 304 GLU HN . 18516 1 8 . 1 1 4 4 GLU C C 13 176.998 0.000 . 1 . . . . 304 GLU CO . 18516 1 9 . 1 1 4 4 GLU CA C 13 56.940 0.000 . 1 . . . . 304 GLU CA . 18516 1 10 . 1 1 4 4 GLU CB C 13 30.220 0.000 . 1 . . . . 304 GLU CB . 18516 1 11 . 1 1 4 4 GLU N N 15 120.585 0.151 . 1 . . . . 304 GLU N . 18516 1 12 . 1 1 5 5 GLU H H 1 8.642 0.004 . 1 . . . . 305 GLU HN . 18516 1 13 . 1 1 5 5 GLU C C 13 174.491 0.000 . 1 . . . . 305 GLU CO . 18516 1 14 . 1 1 5 5 GLU CA C 13 56.959 0.002 . 1 . . . . 305 GLU CA . 18516 1 15 . 1 1 5 5 GLU CB C 13 30.191 0.015 . 1 . . . . 305 GLU CB . 18516 1 16 . 1 1 5 5 GLU N N 15 120.695 0.070 . 1 . . . . 305 GLU N . 18516 1 17 . 1 1 6 6 ASP H H 1 8.296 0.002 . 1 . . . . 306 ASP HN . 18516 1 18 . 1 1 6 6 ASP C C 13 175.524 0.000 . 1 . . . . 306 ASP CO . 18516 1 19 . 1 1 6 6 ASP CA C 13 54.066 0.001 . 1 . . . . 306 ASP CA . 18516 1 20 . 1 1 6 6 ASP CB C 13 41.239 0.010 . 1 . . . . 306 ASP CB . 18516 1 21 . 1 1 6 6 ASP N N 15 120.750 0.085 . 1 . . . . 306 ASP N . 18516 1 22 . 1 1 7 7 ILE H H 1 7.707 0.003 . 1 . . . . 307 ILE HN . 18516 1 23 . 1 1 7 7 ILE CA C 13 58.424 0.000 . 1 . . . . 307 ILE CA . 18516 1 24 . 1 1 7 7 ILE CB C 13 39.028 0.000 . 1 . . . . 307 ILE CB . 18516 1 25 . 1 1 7 7 ILE N N 15 123.116 0.004 . 1 . . . . 307 ILE N . 18516 1 26 . 1 1 8 8 PRO C C 13 177.778 0.000 . 1 . . . . 308 PRO CO . 18516 1 27 . 1 1 8 8 PRO CA C 13 63.310 0.000 . 1 . . . . 308 PRO CA . 18516 1 28 . 1 1 8 8 PRO CB C 13 32.756 0.000 . 1 . . . . 308 PRO CB . 18516 1 29 . 1 1 9 9 ARG H H 1 8.910 0.003 . 1 . . . . 309 ARG HN . 18516 1 30 . 1 1 9 9 ARG C C 13 176.694 0.000 . 1 . . . . 309 ARG CO . 18516 1 31 . 1 1 9 9 ARG CA C 13 55.205 0.000 . 1 . . . . 309 ARG CA . 18516 1 32 . 1 1 9 9 ARG CB C 13 30.546 0.015 . 1 . . . . 309 ARG CB . 18516 1 33 . 1 1 9 9 ARG N N 15 119.925 0.038 . 1 . . . . 309 ARG N . 18516 1 34 . 1 1 10 10 GLU H H 1 7.737 0.009 . 1 . . . . 310 GLU HN . 18516 1 35 . 1 1 10 10 GLU C C 13 174.158 0.000 . 1 . . . . 310 GLU CO . 18516 1 36 . 1 1 10 10 GLU CA C 13 55.424 0.000 . 1 . . . . 310 GLU CA . 18516 1 37 . 1 1 10 10 GLU CB C 13 28.221 0.000 . 1 . . . . 310 GLU CB . 18516 1 38 . 1 1 10 10 GLU N N 15 119.895 0.022 . 1 . . . . 310 GLU N . 18516 1 39 . 1 1 11 11 PRO C C 13 176.002 0.000 . 1 . . . . 311 PRO CO . 18516 1 40 . 1 1 11 11 PRO CA C 13 63.316 0.000 . 1 . . . . 311 PRO CA . 18516 1 41 . 1 1 11 11 PRO CB C 13 31.475 0.000 . 1 . . . . 311 PRO CB . 18516 1 42 . 1 1 12 12 ARG H H 1 9.409 0.003 . 1 . . . . 312 ARG HN . 18516 1 43 . 1 1 12 12 ARG C C 13 172.886 0.000 . 1 . . . . 312 ARG CO . 18516 1 44 . 1 1 12 12 ARG CA C 13 54.475 0.038 . 1 . . . . 312 ARG CA . 18516 1 45 . 1 1 12 12 ARG CB C 13 31.910 0.022 . 1 . . . . 312 ARG CB . 18516 1 46 . 1 1 12 12 ARG N N 15 122.618 0.018 . 1 . . . . 312 ARG N . 18516 1 47 . 1 1 13 13 ARG H H 1 8.417 0.004 . 1 . . . . 313 ARG HN . 18516 1 48 . 1 1 13 13 ARG C C 13 175.515 0.000 . 1 . . . . 313 ARG CO . 18516 1 49 . 1 1 13 13 ARG CA C 13 55.280 0.000 . 1 . . . . 313 ARG CA . 18516 1 50 . 1 1 13 13 ARG CB C 13 31.815 0.000 . 1 . . . . 313 ARG CB . 18516 1 51 . 1 1 13 13 ARG N N 15 122.444 0.047 . 1 . . . . 313 ARG N . 18516 1 52 . 1 1 14 14 ILE H H 1 9.557 0.002 . 1 . . . . 314 ILE HN . 18516 1 53 . 1 1 14 14 ILE C C 13 173.455 0.000 . 1 . . . . 314 ILE CO . 18516 1 54 . 1 1 14 14 ILE CA C 13 61.094 0.010 . 1 . . . . 314 ILE CA . 18516 1 55 . 1 1 14 14 ILE CB C 13 42.761 0.050 . 1 . . . . 314 ILE CB . 18516 1 56 . 1 1 14 14 ILE N N 15 130.954 0.012 . 1 . . . . 314 ILE N . 18516 1 57 . 1 1 15 15 VAL H H 1 8.657 0.001 . 1 . . . . 315 VAL HN . 18516 1 58 . 1 1 15 15 VAL C C 13 175.850 0.000 . 1 . . . . 315 VAL CO . 18516 1 59 . 1 1 15 15 VAL CA C 13 61.245 0.058 . 1 . . . . 315 VAL CA . 18516 1 60 . 1 1 15 15 VAL CB C 13 33.014 0.016 . 1 . . . . 315 VAL CB . 18516 1 61 . 1 1 15 15 VAL N N 15 127.728 0.016 . 1 . . . . 315 VAL N . 18516 1 62 . 1 1 16 16 ILE H H 1 8.993 0.001 . 1 . . . . 316 ILE HN . 18516 1 63 . 1 1 16 16 ILE C C 13 173.539 0.000 . 1 . . . . 316 ILE CO . 18516 1 64 . 1 1 16 16 ILE CA C 13 58.504 0.053 . 1 . . . . 316 ILE CA . 18516 1 65 . 1 1 16 16 ILE CB C 13 41.501 0.006 . 1 . . . . 316 ILE CB . 18516 1 66 . 1 1 16 16 ILE N N 15 126.002 0.010 . 1 . . . . 316 ILE N . 18516 1 67 . 1 1 17 17 HIS H H 1 8.540 0.002 . 1 . . . . 317 HIS HN . 18516 1 68 . 1 1 17 17 HIS C C 13 175.030 0.000 . 1 . . . . 317 HIS CO . 18516 1 69 . 1 1 17 17 HIS CA C 13 54.597 0.049 . 1 . . . . 317 HIS CA . 18516 1 70 . 1 1 17 17 HIS CB C 13 30.693 0.034 . 1 . . . . 317 HIS CB . 18516 1 71 . 1 1 17 17 HIS N N 15 125.268 0.010 . 1 . . . . 317 HIS N . 18516 1 72 . 1 1 18 18 ARG H H 1 8.810 0.001 . 1 . . . . 318 ARG HN . 18516 1 73 . 1 1 18 18 ARG C C 13 176.039 0.000 . 1 . . . . 318 ARG CO . 18516 1 74 . 1 1 18 18 ARG CA C 13 57.689 0.032 . 1 . . . . 318 ARG CA . 18516 1 75 . 1 1 18 18 ARG CB C 13 31.787 0.213 . 1 . . . . 318 ARG CB . 18516 1 76 . 1 1 18 18 ARG N N 15 124.939 0.021 . 1 . . . . 318 ARG N . 18516 1 77 . 1 1 19 19 GLY H H 1 7.787 0.001 . 1 . . . . 319 GLY HN . 18516 1 78 . 1 1 19 19 GLY CA C 13 44.612 0.000 . 1 . . . . 319 GLY CA . 18516 1 79 . 1 1 19 19 GLY N N 15 112.669 0.009 . 1 . . . . 319 GLY N . 18516 1 80 . 1 1 21 21 THR C C 13 174.657 0.000 . 1 . . . . 321 THR CO . 18516 1 81 . 1 1 21 21 THR CA C 13 65.006 4.198 . 1 . . . . 321 THR CA . 18516 1 82 . 1 1 21 21 THR CB C 13 0.000 0.000 . 1 . . . . 321 THR CB . 18516 1 83 . 1 1 22 22 GLY H H 1 7.774 0.002 . 1 . . . . 322 GLY HN . 18516 1 84 . 1 1 22 22 GLY CA C 13 44.969 0.000 . 1 . . . . 322 GLY CA . 18516 1 85 . 1 1 22 22 GLY N N 15 109.390 0.038 . 1 . . . . 322 GLY N . 18516 1 86 . 1 1 23 23 LEU C C 13 176.969 0.000 . 1 . . . . 323 LEU CO . 18516 1 87 . 1 1 23 23 LEU CA C 13 55.559 0.000 . 1 . . . . 323 LEU CA . 18516 1 88 . 1 1 23 23 LEU CB C 13 42.660 0.000 . 1 . . . . 323 LEU CB . 18516 1 89 . 1 1 24 24 GLY H H 1 8.448 0.003 . 1 . . . . 324 GLY HN . 18516 1 90 . 1 1 24 24 GLY C C 13 175.356 0.000 . 1 . . . . 324 GLY CO . 18516 1 91 . 1 1 24 24 GLY CA C 13 46.246 0.022 . 1 . . . . 324 GLY CA . 18516 1 92 . 1 1 24 24 GLY N N 15 102.599 0.014 . 1 . . . . 324 GLY N . 18516 1 93 . 1 1 25 25 PHE H H 1 7.171 0.000 . 1 . . . . 325 PHE HN . 18516 1 94 . 1 1 25 25 PHE C C 13 172.518 0.000 . 1 . . . . 325 PHE CO . 18516 1 95 . 1 1 25 25 PHE CA C 13 56.190 0.012 . 1 . . . . 325 PHE CA . 18516 1 96 . 1 1 25 25 PHE CB C 13 41.382 0.011 . 1 . . . . 325 PHE CB . 18516 1 97 . 1 1 25 25 PHE N N 15 114.856 0.005 . 1 . . . . 325 PHE N . 18516 1 98 . 1 1 26 26 ASN H H 1 8.758 0.001 . 1 . . . . 326 ASN HN . 18516 1 99 . 1 1 26 26 ASN HD21 H 1 7.341 0.000 . 1 . . . . 326 ASN HD21 . 18516 1 100 . 1 1 26 26 ASN HD22 H 1 6.813 0.000 . 1 . . . . 326 ASN HD22 . 18516 1 101 . 1 1 26 26 ASN C C 13 174.627 0.000 . 1 . . . . 326 ASN CO . 18516 1 102 . 1 1 26 26 ASN CA C 13 51.206 0.029 . 1 . . . . 326 ASN CA . 18516 1 103 . 1 1 26 26 ASN CB C 13 41.576 0.184 . 1 . . . . 326 ASN CB . 18516 1 104 . 1 1 26 26 ASN N N 15 118.932 0.013 . 1 . . . . 326 ASN N . 18516 1 105 . 1 1 26 26 ASN ND2 N 15 111.044 0.018 . 1 . . . . 326 ASN ND2 . 18516 1 106 . 1 1 27 27 ILE H H 1 8.387 0.001 . 1 . . . . 327 ILE HN . 18516 1 107 . 1 1 27 27 ILE C C 13 175.827 0.000 . 1 . . . . 327 ILE CO . 18516 1 108 . 1 1 27 27 ILE CA C 13 76.513 24.881 . 1 . . . . 327 ILE CA . 18516 1 109 . 1 1 27 27 ILE CB C 13 43.035 0.025 . 1 . . . . 327 ILE CB . 18516 1 110 . 1 1 27 27 ILE N N 15 111.701 0.004 . 1 . . . . 327 ILE N . 18516 1 111 . 1 1 28 28 VAL H H 1 9.194 0.000 . 1 . . . . 328 VAL HN . 18516 1 112 . 1 1 28 28 VAL C C 13 173.513 0.000 . 1 . . . . 328 VAL CO . 18516 1 113 . 1 1 28 28 VAL CA C 13 59.591 0.039 . 1 . . . . 328 VAL CA . 18516 1 114 . 1 1 28 28 VAL CB C 13 36.428 0.010 . 1 . . . . 328 VAL CB . 18516 1 115 . 1 1 28 28 VAL N N 15 116.300 0.013 . 1 . . . . 328 VAL N . 18516 1 116 . 1 1 29 29 GLY H H 1 8.365 0.002 . 1 . . . . 329 GLY HN . 18516 1 117 . 1 1 29 29 GLY C C 13 175.314 0.000 . 1 . . . . 329 GLY CO . 18516 1 118 . 1 1 29 29 GLY CA C 13 44.220 0.039 . 1 . . . . 329 GLY CA . 18516 1 119 . 1 1 29 29 GLY N N 15 107.823 0.085 . 1 . . . . 329 GLY N . 18516 1 120 . 1 1 30 30 GLY H H 1 8.342 0.002 . 1 . . . . 330 GLY HN . 18516 1 121 . 1 1 30 30 GLY C C 13 175.333 0.000 . 1 . . . . 330 GLY CO . 18516 1 122 . 1 1 30 30 GLY CA C 13 45.834 0.030 . 1 . . . . 330 GLY CA . 18516 1 123 . 1 1 30 30 GLY N N 15 107.368 0.012 . 1 . . . . 330 GLY N . 18516 1 124 . 1 1 31 31 GLU H H 1 9.107 0.001 . 1 . . . . 331 GLU HN . 18516 1 125 . 1 1 31 31 GLU C C 13 176.933 0.000 . 1 . . . . 331 GLU CO . 18516 1 126 . 1 1 31 31 GLU CA C 13 56.755 0.045 . 1 . . . . 331 GLU CA . 18516 1 127 . 1 1 31 31 GLU CB C 13 23.276 10.017 . 1 . . . . 331 GLU CB . 18516 1 128 . 1 1 31 31 GLU N N 15 122.667 0.010 . 1 . . . . 331 GLU N . 18516 1 129 . 1 1 32 32 ASP H H 1 9.239 0.000 . 1 . . . . 332 ASP HN . 18516 1 130 . 1 1 32 32 ASP C C 13 176.499 0.000 . 1 . . . . 332 ASP CO . 18516 1 131 . 1 1 32 32 ASP CA C 13 54.846 0.044 . 1 . . . . 332 ASP CA . 18516 1 132 . 1 1 32 32 ASP CB C 13 40.718 0.002 . 1 . . . . 332 ASP CB . 18516 1 133 . 1 1 32 32 ASP N N 15 121.651 0.004 . 1 . . . . 332 ASP N . 18516 1 134 . 1 1 33 33 GLY H H 1 8.421 0.002 . 1 . . . . 333 GLY HN . 18516 1 135 . 1 1 33 33 GLY C C 13 175.469 0.000 . 1 . . . . 333 GLY CO . 18516 1 136 . 1 1 33 33 GLY CA C 13 46.352 0.007 . 1 . . . . 333 GLY CA . 18516 1 137 . 1 1 33 33 GLY N N 15 107.287 0.006 . 1 . . . . 333 GLY N . 18516 1 138 . 1 1 34 34 GLU H H 1 8.566 0.001 . 1 . . . . 334 GLU HN . 18516 1 139 . 1 1 34 34 GLU C C 13 176.473 0.000 . 1 . . . . 334 GLU CO . 18516 1 140 . 1 1 34 34 GLU CA C 13 57.398 0.049 . 1 . . . . 334 GLU CA . 18516 1 141 . 1 1 34 34 GLU CB C 13 30.035 0.025 . 1 . . . . 334 GLU CB . 18516 1 142 . 1 1 34 34 GLU N N 15 118.990 0.010 . 1 . . . . 334 GLU N . 18516 1 143 . 1 1 35 35 GLY H H 1 8.347 0.001 . 1 . . . . 335 GLY HN . 18516 1 144 . 1 1 35 35 GLY C C 13 171.572 0.000 . 1 . . . . 335 GLY CO . 18516 1 145 . 1 1 35 35 GLY CA C 13 44.373 0.016 . 1 . . . . 335 GLY CA . 18516 1 146 . 1 1 35 35 GLY N N 15 108.855 0.003 . 1 . . . . 335 GLY N . 18516 1 147 . 1 1 36 36 ILE H H 1 8.438 0.001 . 1 . . . . 336 ILE HN . 18516 1 148 . 1 1 36 36 ILE C C 13 174.828 0.000 . 1 . . . . 336 ILE CO . 18516 1 149 . 1 1 36 36 ILE CA C 13 57.073 0.005 . 1 . . . . 336 ILE CA . 18516 1 150 . 1 1 36 36 ILE CB C 13 36.930 0.058 . 1 . . . . 336 ILE CB . 18516 1 151 . 1 1 36 36 ILE N N 15 119.455 0.004 . 1 . . . . 336 ILE N . 18516 1 152 . 1 1 37 37 PHE H H 1 9.003 0.001 . 1 . . . . 337 PHE HN . 18516 1 153 . 1 1 37 37 PHE C C 13 175.680 0.000 . 1 . . . . 337 PHE CO . 18516 1 154 . 1 1 37 37 PHE CA C 13 55.255 0.010 . 1 . . . . 337 PHE CA . 18516 1 155 . 1 1 37 37 PHE CB C 13 44.286 0.024 . 1 . . . . 337 PHE CB . 18516 1 156 . 1 1 37 37 PHE N N 15 123.875 0.013 . 1 . . . . 337 PHE N . 18516 1 157 . 1 1 38 38 ILE H H 1 8.930 0.001 . 1 . . . . 338 ILE HN . 18516 1 158 . 1 1 38 38 ILE C C 13 175.317 0.000 . 1 . . . . 338 ILE CO . 18516 1 159 . 1 1 38 38 ILE CA C 13 61.302 0.015 . 1 . . . . 338 ILE CA . 18516 1 160 . 1 1 38 38 ILE CB C 13 36.715 0.016 . 1 . . . . 338 ILE CB . 18516 1 161 . 1 1 38 38 ILE N N 15 120.156 0.028 . 1 . . . . 338 ILE N . 18516 1 162 . 1 1 39 39 SER H H 1 8.675 0.001 . 1 . . . . 339 SER HN . 18516 1 163 . 1 1 39 39 SER C C 13 175.448 0.000 . 1 . . . . 339 SER CO . 18516 1 164 . 1 1 39 39 SER CA C 13 57.246 0.081 . 1 . . . . 339 SER CA . 18516 1 165 . 1 1 39 39 SER CB C 13 65.718 0.008 . 1 . . . . 339 SER CB . 18516 1 166 . 1 1 39 39 SER N N 15 121.146 0.044 . 1 . . . . 339 SER N . 18516 1 167 . 1 1 40 40 PHE H H 1 7.199 0.000 . 1 . . . . 340 PHE HN . 18516 1 168 . 1 1 40 40 PHE C C 13 172.912 0.000 . 1 . . . . 340 PHE CO . 18516 1 169 . 1 1 40 40 PHE CA C 13 58.624 0.221 . 1 . . . . 340 PHE CA . 18516 1 170 . 1 1 40 40 PHE CB C 13 43.047 0.108 . 1 . . . . 340 PHE CB . 18516 1 171 . 1 1 40 40 PHE N N 15 121.508 0.011 . 1 . . . . 340 PHE N . 18516 1 172 . 1 1 41 41 ILE H H 1 7.988 0.001 . 1 . . . . 341 ILE HN . 18516 1 173 . 1 1 41 41 ILE C C 13 173.674 0.000 . 1 . . . . 341 ILE CO . 18516 1 174 . 1 1 41 41 ILE CA C 13 59.051 0.065 . 1 . . . . 341 ILE CA . 18516 1 175 . 1 1 41 41 ILE CB C 13 38.799 0.009 . 1 . . . . 341 ILE CB . 18516 1 176 . 1 1 41 41 ILE N N 15 127.796 0.002 . 1 . . . . 341 ILE N . 18516 1 177 . 1 1 42 42 LEU H H 1 7.481 0.001 . 1 . . . . 342 LEU HN . 18516 1 178 . 1 1 42 42 LEU C C 13 177.098 0.000 . 1 . . . . 342 LEU CO . 18516 1 179 . 1 1 42 42 LEU CA C 13 55.061 0.021 . 1 . . . . 342 LEU CA . 18516 1 180 . 1 1 42 42 LEU CB C 13 42.801 0.001 . 1 . . . . 342 LEU CB . 18516 1 181 . 1 1 42 42 LEU N N 15 127.495 0.007 . 1 . . . . 342 LEU N . 18516 1 182 . 1 1 43 43 ALA H H 1 8.957 0.002 . 1 . . . . 343 ALA HN . 18516 1 183 . 1 1 43 43 ALA C C 13 179.144 0.000 . 1 . . . . 343 ALA CO . 18516 1 184 . 1 1 43 43 ALA CA C 13 53.714 0.054 . 1 . . . . 343 ALA CA . 18516 1 185 . 1 1 43 43 ALA CB C 13 17.793 0.000 . 1 . . . . 343 ALA CB . 18516 1 186 . 1 1 43 43 ALA N N 15 134.662 0.018 . 1 . . . . 343 ALA N . 18516 1 187 . 1 1 44 44 GLY H H 1 10.561 0.001 . 1 . . . . 344 GLY HN . 18516 1 188 . 1 1 44 44 GLY C C 13 174.394 0.000 . 1 . . . . 344 GLY CO . 18516 1 189 . 1 1 44 44 GLY CA C 13 45.354 0.000 . 1 . . . . 344 GLY CA . 18516 1 190 . 1 1 44 44 GLY N N 15 114.222 0.005 . 1 . . . . 344 GLY N . 18516 1 191 . 1 1 45 45 GLY H H 1 7.701 0.001 . 1 . . . . 345 GLY HN . 18516 1 192 . 1 1 45 45 GLY C C 13 171.750 0.000 . 1 . . . . 345 GLY CO . 18516 1 193 . 1 1 45 45 GLY CA C 13 45.248 0.000 . 1 . . . . 345 GLY CA . 18516 1 194 . 1 1 45 45 GLY N N 15 106.335 0.004 . 1 . . . . 345 GLY N . 18516 1 195 . 1 1 46 46 PRO C C 13 179.132 0.000 . 1 . . . . 346 PRO CO . 18516 1 196 . 1 1 46 46 PRO CA C 13 65.791 0.000 . 1 . . . . 346 PRO CA . 18516 1 197 . 1 1 46 46 PRO CB C 13 32.465 0.000 . 1 . . . . 346 PRO CB . 18516 1 198 . 1 1 47 47 ALA H H 1 7.497 0.001 . 1 . . . . 347 ALA HN . 18516 1 199 . 1 1 47 47 ALA C C 13 179.448 0.000 . 1 . . . . 347 ALA CO . 18516 1 200 . 1 1 47 47 ALA CA C 13 54.419 0.053 . 1 . . . . 347 ALA CA . 18516 1 201 . 1 1 47 47 ALA CB C 13 19.130 0.005 . 1 . . . . 347 ALA CB . 18516 1 202 . 1 1 47 47 ALA N N 15 118.122 0.006 . 1 . . . . 347 ALA N . 18516 1 203 . 1 1 48 48 ASP H H 1 8.809 0.002 . 1 . . . . 348 ASP HN . 18516 1 204 . 1 1 48 48 ASP C C 13 177.711 0.000 . 1 . . . . 348 ASP CO . 18516 1 205 . 1 1 48 48 ASP CA C 13 56.749 0.024 . 1 . . . . 348 ASP CA . 18516 1 206 . 1 1 48 48 ASP CB C 13 42.797 0.002 . 1 . . . . 348 ASP CB . 18516 1 207 . 1 1 48 48 ASP N N 15 123.779 0.026 . 1 . . . . 348 ASP N . 18516 1 208 . 1 1 49 49 LEU H H 1 8.263 0.002 . 1 . . . . 349 LEU HN . 18516 1 209 . 1 1 49 49 LEU C C 13 179.320 0.000 . 1 . . . . 349 LEU CO . 18516 1 210 . 1 1 49 49 LEU CA C 13 57.062 0.040 . 1 . . . . 349 LEU CA . 18516 1 211 . 1 1 49 49 LEU CB C 13 41.603 0.139 . 1 . . . . 349 LEU CB . 18516 1 212 . 1 1 49 49 LEU N N 15 117.519 0.035 . 1 . . . . 349 LEU N . 18516 1 213 . 1 1 50 50 SER H H 1 7.731 0.002 . 1 . . . . 350 SER HN . 18516 1 214 . 1 1 50 50 SER C C 13 176.256 0.000 . 1 . . . . 350 SER CO . 18516 1 215 . 1 1 50 50 SER CA C 13 59.891 0.123 . 1 . . . . 350 SER CA . 18516 1 216 . 1 1 50 50 SER CB C 13 63.216 0.033 . 1 . . . . 350 SER CB . 18516 1 217 . 1 1 50 50 SER N N 15 112.741 0.019 . 1 . . . . 350 SER N . 18516 1 218 . 1 1 51 51 GLY H H 1 7.536 0.001 . 1 . . . . 351 GLY HN . 18516 1 219 . 1 1 51 51 GLY C C 13 174.852 0.000 . 1 . . . . 351 GLY CO . 18516 1 220 . 1 1 51 51 GLY CA C 13 46.578 0.037 . 1 . . . . 351 GLY CA . 18516 1 221 . 1 1 51 51 GLY N N 15 107.859 0.029 . 1 . . . . 351 GLY N . 18516 1 222 . 1 1 52 52 GLU H H 1 7.767 0.002 . 1 . . . . 352 GLU HN . 18516 1 223 . 1 1 52 52 GLU C C 13 176.107 0.000 . 1 . . . . 352 GLU CO . 18516 1 224 . 1 1 52 52 GLU CA C 13 57.657 0.015 . 1 . . . . 352 GLU CA . 18516 1 225 . 1 1 52 52 GLU CB C 13 33.016 0.001 . 1 . . . . 352 GLU CB . 18516 1 226 . 1 1 52 52 GLU N N 15 118.070 0.058 . 1 . . . . 352 GLU N . 18516 1 227 . 1 1 53 53 LEU H H 1 7.918 0.001 . 1 . . . . 353 LEU HN . 18516 1 228 . 1 1 53 53 LEU C C 13 175.356 0.000 . 1 . . . . 353 LEU CO . 18516 1 229 . 1 1 53 53 LEU CA C 13 54.044 0.020 . 1 . . . . 353 LEU CA . 18516 1 230 . 1 1 53 53 LEU CB C 13 45.057 0.005 . 1 . . . . 353 LEU CB . 18516 1 231 . 1 1 53 53 LEU N N 15 119.827 0.004 . 1 . . . . 353 LEU N . 18516 1 232 . 1 1 54 54 ARG H H 1 9.298 0.003 . 1 . . . . 354 ARG HN . 18516 1 233 . 1 1 54 54 ARG C C 13 174.820 0.000 . 1 . . . . 354 ARG CO . 18516 1 234 . 1 1 54 54 ARG CA C 13 53.731 0.031 . 1 . . . . 354 ARG CA . 18516 1 235 . 1 1 54 54 ARG CB C 13 33.770 0.107 . 1 . . . . 354 ARG CB . 18516 1 236 . 1 1 54 54 ARG N N 15 121.534 0.021 . 1 . . . . 354 ARG N . 18516 1 237 . 1 1 55 55 LYS H H 1 8.176 0.001 . 1 . . . . 355 LYS HN . 18516 1 238 . 1 1 55 55 LYS C C 13 177.290 0.000 . 1 . . . . 355 LYS CO . 18516 1 239 . 1 1 55 55 LYS CA C 13 57.341 0.061 . 1 . . . . 355 LYS CA . 18516 1 240 . 1 1 55 55 LYS CB C 13 31.902 0.003 . 1 . . . . 355 LYS CB . 18516 1 241 . 1 1 55 55 LYS N N 15 120.469 0.011 . 1 . . . . 355 LYS N . 18516 1 242 . 1 1 56 56 GLY H H 1 8.442 0.001 . 1 . . . . 356 GLY HN . 18516 1 243 . 1 1 56 56 GLY C C 13 173.066 0.000 . 1 . . . . 356 GLY CO . 18516 1 244 . 1 1 56 56 GLY CA C 13 45.088 0.038 . 1 . . . . 356 GLY CA . 18516 1 245 . 1 1 56 56 GLY N N 15 114.810 0.013 . 1 . . . . 356 GLY N . 18516 1 246 . 1 1 57 57 ASP H H 1 7.844 0.001 . 1 . . . . 357 ASP HN . 18516 1 247 . 1 1 57 57 ASP C C 13 176.087 0.000 . 1 . . . . 357 ASP CO . 18516 1 248 . 1 1 57 57 ASP CA C 13 55.582 0.051 . 1 . . . . 357 ASP CA . 18516 1 249 . 1 1 57 57 ASP CB C 13 42.195 0.025 . 1 . . . . 357 ASP CB . 18516 1 250 . 1 1 57 57 ASP N N 15 119.127 0.009 . 1 . . . . 357 ASP N . 18516 1 251 . 1 1 58 58 GLN H H 1 9.376 0.001 . 1 . . . . 358 GLN HN . 18516 1 252 . 1 1 58 58 GLN HE21 H 1 7.441 0.000 . 1 . . . . 358 GLN HE21 . 18516 1 253 . 1 1 58 58 GLN HE22 H 1 6.815 0.000 . 1 . . . . 358 GLN HE22 . 18516 1 254 . 1 1 58 58 GLN C C 13 176.942 0.000 . 1 . . . . 358 GLN CO . 18516 1 255 . 1 1 58 58 GLN CA C 13 53.653 0.004 . 1 . . . . 358 GLN CA . 18516 1 256 . 1 1 58 58 GLN CB C 13 29.289 0.108 . 1 . . . . 358 GLN CB . 18516 1 257 . 1 1 58 58 GLN N N 15 123.672 0.007 . 1 . . . . 358 GLN N . 18516 1 258 . 1 1 58 58 GLN NE2 N 15 108.523 0.003 . 1 . . . . 358 GLN NE2 . 18516 1 259 . 1 1 59 59 ILE H H 1 8.530 0.002 . 1 . . . . 359 ILE HN . 18516 1 260 . 1 1 59 59 ILE C C 13 174.457 0.000 . 1 . . . . 359 ILE CO . 18516 1 261 . 1 1 59 59 ILE CA C 13 61.202 0.010 . 1 . . . . 359 ILE CA . 18516 1 262 . 1 1 59 59 ILE CB C 13 37.617 0.001 . 1 . . . . 359 ILE CB . 18516 1 263 . 1 1 59 59 ILE N N 15 125.274 0.020 . 1 . . . . 359 ILE N . 18516 1 264 . 1 1 60 60 LEU H H 1 9.255 0.000 . 1 . . . . 360 LEU HN . 18516 1 265 . 1 1 60 60 LEU C C 13 177.793 0.000 . 1 . . . . 360 LEU CO . 18516 1 266 . 1 1 60 60 LEU CA C 13 56.302 0.049 . 1 . . . . 360 LEU CA . 18516 1 267 . 1 1 60 60 LEU CB C 13 41.322 0.043 . 1 . . . . 360 LEU CB . 18516 1 268 . 1 1 60 60 LEU N N 15 128.398 0.003 . 1 . . . . 360 LEU N . 18516 1 269 . 1 1 61 61 SER H H 1 7.593 0.001 . 1 . . . . 361 SER HN . 18516 1 270 . 1 1 61 61 SER C C 13 173.004 0.000 . 1 . . . . 361 SER CO . 18516 1 271 . 1 1 61 61 SER CA C 13 57.111 0.021 . 1 . . . . 361 SER CA . 18516 1 272 . 1 1 61 61 SER CB C 13 65.104 0.016 . 1 . . . . 361 SER CB . 18516 1 273 . 1 1 61 61 SER N N 15 108.991 0.011 . 1 . . . . 361 SER N . 18516 1 274 . 1 1 62 62 VAL H H 1 8.004 0.000 . 1 . . . . 362 VAL HN . 18516 1 275 . 1 1 62 62 VAL C C 13 174.431 0.000 . 1 . . . . 362 VAL CO . 18516 1 276 . 1 1 62 62 VAL CA C 13 60.221 0.019 . 1 . . . . 362 VAL CA . 18516 1 277 . 1 1 62 62 VAL CB C 13 34.998 0.041 . 1 . . . . 362 VAL CB . 18516 1 278 . 1 1 62 62 VAL N N 15 118.564 0.006 . 1 . . . . 362 VAL N . 18516 1 279 . 1 1 63 63 ASN H H 1 9.855 0.001 . 1 . . . . 363 ASN HN . 18516 1 280 . 1 1 63 63 ASN HD21 H 1 7.776 0.000 . 1 . . . . 363 ASN HD21 . 18516 1 281 . 1 1 63 63 ASN HD22 H 1 6.820 0.000 . 1 . . . . 363 ASN HD22 . 18516 1 282 . 1 1 63 63 ASN C C 13 174.874 0.000 . 1 . . . . 363 ASN CO . 18516 1 283 . 1 1 63 63 ASN CA C 13 53.972 0.087 . 1 . . . . 363 ASN CA . 18516 1 284 . 1 1 63 63 ASN CB C 13 36.243 0.015 . 1 . . . . 363 ASN CB . 18516 1 285 . 1 1 63 63 ASN N N 15 129.136 0.015 . 1 . . . . 363 ASN N . 18516 1 286 . 1 1 63 63 ASN ND2 N 15 111.322 0.002 . 1 . . . . 363 ASN ND2 . 18516 1 287 . 1 1 64 64 GLY H H 1 8.499 0.002 . 1 . . . . 364 GLY HN . 18516 1 288 . 1 1 64 64 GLY C C 13 173.850 0.000 . 1 . . . . 364 GLY CO . 18516 1 289 . 1 1 64 64 GLY CA C 13 45.232 0.012 . 1 . . . . 364 GLY CA . 18516 1 290 . 1 1 64 64 GLY N N 15 102.638 0.005 . 1 . . . . 364 GLY N . 18516 1 291 . 1 1 65 65 VAL H H 1 8.231 0.001 . 1 . . . . 365 VAL HN . 18516 1 292 . 1 1 65 65 VAL C C 13 175.113 0.000 . 1 . . . . 365 VAL CO . 18516 1 293 . 1 1 65 65 VAL CA C 13 62.637 0.009 . 1 . . . . 365 VAL CA . 18516 1 294 . 1 1 65 65 VAL CB C 13 31.697 0.088 . 1 . . . . 365 VAL CB . 18516 1 295 . 1 1 65 65 VAL N N 15 124.352 0.004 . 1 . . . . 365 VAL N . 18516 1 296 . 1 1 66 66 ASP H H 1 8.548 0.001 . 1 . . . . 366 ASP HN . 18516 1 297 . 1 1 66 66 ASP C C 13 176.783 0.000 . 1 . . . . 366 ASP CO . 18516 1 298 . 1 1 66 66 ASP CA C 13 54.995 0.080 . 1 . . . . 366 ASP CA . 18516 1 299 . 1 1 66 66 ASP CB C 13 41.523 0.026 . 1 . . . . 366 ASP CB . 18516 1 300 . 1 1 66 66 ASP N N 15 127.615 0.004 . 1 . . . . 366 ASP N . 18516 1 301 . 1 1 67 67 LEU H H 1 8.863 0.001 . 1 . . . . 367 LEU HN . 18516 1 302 . 1 1 67 67 LEU C C 13 179.063 0.000 . 1 . . . . 367 LEU CO . 18516 1 303 . 1 1 67 67 LEU CA C 13 53.084 0.095 . 1 . . . . 367 LEU CA . 18516 1 304 . 1 1 67 67 LEU CB C 13 43.144 0.013 . 1 . . . . 367 LEU CB . 18516 1 305 . 1 1 67 67 LEU N N 15 127.627 0.028 . 1 . . . . 367 LEU N . 18516 1 306 . 1 1 68 68 ARG H H 1 8.741 0.001 . 1 . . . . 368 ARG HN . 18516 1 307 . 1 1 68 68 ARG C C 13 177.130 0.000 . 1 . . . . 368 ARG CO . 18516 1 308 . 1 1 68 68 ARG CA C 13 60.922 0.012 . 1 . . . . 368 ARG CA . 18516 1 309 . 1 1 68 68 ARG CB C 13 30.140 0.022 . 1 . . . . 368 ARG CB . 18516 1 310 . 1 1 68 68 ARG N N 15 124.844 0.004 . 1 . . . . 368 ARG N . 18516 1 311 . 1 1 69 69 ASN H H 1 8.485 0.002 . 1 . . . . 369 ASN HN . 18516 1 312 . 1 1 69 69 ASN HD21 H 1 7.584 0.000 . 1 . . . . 369 ASN HD21 . 18516 1 313 . 1 1 69 69 ASN HD22 H 1 6.799 0.000 . 1 . . . . 369 ASN HD22 . 18516 1 314 . 1 1 69 69 ASN C C 13 174.612 0.000 . 1 . . . . 369 ASN CO . 18516 1 315 . 1 1 69 69 ASN CA C 13 51.774 0.060 . 1 . . . . 369 ASN CA . 18516 1 316 . 1 1 69 69 ASN CB C 13 39.459 0.022 . 1 . . . . 369 ASN CB . 18516 1 317 . 1 1 69 69 ASN N N 15 114.022 0.031 . 1 . . . . 369 ASN N . 18516 1 318 . 1 1 69 69 ASN ND2 N 15 112.037 0.008 . 1 . . . . 369 ASN ND2 . 18516 1 319 . 1 1 70 70 ALA H H 1 6.797 0.001 . 1 . . . . 370 ALA HN . 18516 1 320 . 1 1 70 70 ALA C C 13 176.967 0.000 . 1 . . . . 370 ALA CO . 18516 1 321 . 1 1 70 70 ALA CA C 13 52.020 0.015 . 1 . . . . 370 ALA CA . 18516 1 322 . 1 1 70 70 ALA CB C 13 21.062 0.003 . 1 . . . . 370 ALA CB . 18516 1 323 . 1 1 70 70 ALA N N 15 122.337 0.017 . 1 . . . . 370 ALA N . 18516 1 324 . 1 1 71 71 SER H H 1 8.222 0.001 . 1 . . . . 371 SER HN . 18516 1 325 . 1 1 71 71 SER C C 13 175.277 0.000 . 1 . . . . 371 SER CO . 18516 1 326 . 1 1 71 71 SER CA C 13 56.441 0.025 . 1 . . . . 371 SER CA . 18516 1 327 . 1 1 71 71 SER CB C 13 65.384 0.027 . 1 . . . . 371 SER CB . 18516 1 328 . 1 1 71 71 SER N N 15 114.234 0.004 . 1 . . . . 371 SER N . 18516 1 329 . 1 1 72 72 HIS H H 1 8.974 0.003 . 1 . . . . 372 HIS HN . 18516 1 330 . 1 1 72 72 HIS C C 13 177.142 0.000 . 1 . . . . 372 HIS CO . 18516 1 331 . 1 1 72 72 HIS CA C 13 61.565 0.075 . 1 . . . . 372 HIS CA . 18516 1 332 . 1 1 72 72 HIS CB C 13 29.881 0.065 . 1 . . . . 372 HIS CB . 18516 1 333 . 1 1 72 72 HIS N N 15 121.654 0.014 . 1 . . . . 372 HIS N . 18516 1 334 . 1 1 73 73 GLU H H 1 8.631 0.001 . 1 . . . . 373 GLU HN . 18516 1 335 . 1 1 73 73 GLU C C 13 178.836 0.000 . 1 . . . . 373 GLU CO . 18516 1 336 . 1 1 73 73 GLU CA C 13 59.490 0.015 . 1 . . . . 373 GLU CA . 18516 1 337 . 1 1 73 73 GLU CB C 13 29.751 0.000 . 1 . . . . 373 GLU CB . 18516 1 338 . 1 1 73 73 GLU N N 15 117.298 0.012 . 1 . . . . 373 GLU N . 18516 1 339 . 1 1 74 74 GLN H H 1 7.696 0.001 . 1 . . . . 374 GLN HN . 18516 1 340 . 1 1 74 74 GLN HE21 H 1 7.487 0.000 . 1 . . . . 374 GLN HE21 . 18516 1 341 . 1 1 74 74 GLN HE22 H 1 6.856 0.000 . 1 . . . . 374 GLN HE22 . 18516 1 342 . 1 1 74 74 GLN C C 13 179.626 0.000 . 1 . . . . 374 GLN CO . 18516 1 343 . 1 1 74 74 GLN CA C 13 58.689 0.105 . 1 . . . . 374 GLN CA . 18516 1 344 . 1 1 74 74 GLN CB C 13 28.749 0.170 . 1 . . . . 374 GLN CB . 18516 1 345 . 1 1 74 74 GLN N N 15 117.414 0.040 . 1 . . . . 374 GLN N . 18516 1 346 . 1 1 74 74 GLN NE2 N 15 111.350 0.010 . 1 . . . . 374 GLN NE2 . 18516 1 347 . 1 1 75 75 ALA H H 1 8.366 0.002 . 1 . . . . 375 ALA HN . 18516 1 348 . 1 1 75 75 ALA C C 13 177.903 0.000 . 1 . . . . 375 ALA CO . 18516 1 349 . 1 1 75 75 ALA CA C 13 54.918 0.066 . 1 . . . . 375 ALA CA . 18516 1 350 . 1 1 75 75 ALA CB C 13 19.501 0.000 . 1 . . . . 375 ALA CB . 18516 1 351 . 1 1 75 75 ALA N N 15 122.513 0.033 . 1 . . . . 375 ALA N . 18516 1 352 . 1 1 76 76 ALA H H 1 8.651 0.002 . 1 . . . . 376 ALA HN . 18516 1 353 . 1 1 76 76 ALA C C 13 181.611 0.000 . 1 . . . . 376 ALA CO . 18516 1 354 . 1 1 76 76 ALA CA C 13 55.346 0.056 . 1 . . . . 376 ALA CA . 18516 1 355 . 1 1 76 76 ALA CB C 13 17.789 0.003 . 1 . . . . 376 ALA CB . 18516 1 356 . 1 1 76 76 ALA N N 15 120.399 0.063 . 1 . . . . 376 ALA N . 18516 1 357 . 1 1 77 77 ILE H H 1 8.076 0.002 . 1 . . . . 377 ILE HN . 18516 1 358 . 1 1 77 77 ILE C C 13 177.416 0.000 . 1 . . . . 377 ILE CO . 18516 1 359 . 1 1 77 77 ILE CA C 13 64.622 0.001 . 1 . . . . 377 ILE CA . 18516 1 360 . 1 1 77 77 ILE CB C 13 38.194 0.002 . 1 . . . . 377 ILE CB . 18516 1 361 . 1 1 77 77 ILE N N 15 120.003 0.005 . 1 . . . . 377 ILE N . 18516 1 362 . 1 1 78 78 ALA H H 1 7.870 0.000 . 1 . . . . 378 ALA HN . 18516 1 363 . 1 1 78 78 ALA C C 13 181.054 0.000 . 1 . . . . 378 ALA CO . 18516 1 364 . 1 1 78 78 ALA CA C 13 55.035 0.004 . 1 . . . . 378 ALA CA . 18516 1 365 . 1 1 78 78 ALA CB C 13 17.782 0.023 . 1 . . . . 378 ALA CB . 18516 1 366 . 1 1 78 78 ALA N N 15 122.833 0.016 . 1 . . . . 378 ALA N . 18516 1 367 . 1 1 79 79 LEU H H 1 8.233 0.001 . 1 . . . . 379 LEU HN . 18516 1 368 . 1 1 79 79 LEU C C 13 178.726 0.000 . 1 . . . . 379 LEU CO . 18516 1 369 . 1 1 79 79 LEU CA C 13 58.071 0.070 . 1 . . . . 379 LEU CA . 18516 1 370 . 1 1 79 79 LEU CB C 13 41.506 0.025 . 1 . . . . 379 LEU CB . 18516 1 371 . 1 1 79 79 LEU N N 15 116.165 0.014 . 1 . . . . 379 LEU N . 18516 1 372 . 1 1 80 80 LYS H H 1 7.967 0.001 . 1 . . . . 380 LYS HN . 18516 1 373 . 1 1 80 80 LYS C C 13 178.441 0.000 . 1 . . . . 380 LYS CO . 18516 1 374 . 1 1 80 80 LYS CA C 13 59.242 0.065 . 1 . . . . 380 LYS CA . 18516 1 375 . 1 1 80 80 LYS CB C 13 32.596 0.004 . 1 . . . . 380 LYS CB . 18516 1 376 . 1 1 80 80 LYS N N 15 121.311 0.014 . 1 . . . . 380 LYS N . 18516 1 377 . 1 1 81 81 ASN H H 1 7.985 0.002 . 1 . . . . 381 ASN HN . 18516 1 378 . 1 1 81 81 ASN HD21 H 1 7.486 0.000 . 1 . . . . 381 ASN HD21 . 18516 1 379 . 1 1 81 81 ASN HD22 H 1 6.946 0.000 . 1 . . . . 381 ASN HD22 . 18516 1 380 . 1 1 81 81 ASN C C 13 175.686 0.000 . 1 . . . . 381 ASN CO . 18516 1 381 . 1 1 81 81 ASN CA C 13 53.375 0.015 . 1 . . . . 381 ASN CA . 18516 1 382 . 1 1 81 81 ASN CB C 13 38.410 0.001 . 1 . . . . 381 ASN CB . 18516 1 383 . 1 1 81 81 ASN N N 15 115.436 0.004 . 1 . . . . 381 ASN N . 18516 1 384 . 1 1 81 81 ASN ND2 N 15 111.754 0.010 . 1 . . . . 381 ASN ND2 . 18516 1 385 . 1 1 82 82 ALA H H 1 6.967 0.001 . 1 . . . . 382 ALA HN . 18516 1 386 . 1 1 82 82 ALA C C 13 176.127 0.000 . 1 . . . . 382 ALA CO . 18516 1 387 . 1 1 82 82 ALA CA C 13 53.424 0.003 . 1 . . . . 382 ALA CA . 18516 1 388 . 1 1 82 82 ALA CB C 13 20.299 0.001 . 1 . . . . 382 ALA CB . 18516 1 389 . 1 1 82 82 ALA N N 15 120.618 0.009 . 1 . . . . 382 ALA N . 18516 1 390 . 1 1 83 83 GLY H H 1 7.975 0.001 . 1 . . . . 383 GLY HN . 18516 1 391 . 1 1 83 83 GLY C C 13 174.939 0.000 . 1 . . . . 383 GLY CO . 18516 1 392 . 1 1 83 83 GLY CA C 13 44.402 0.000 . 1 . . . . 383 GLY CA . 18516 1 393 . 1 1 83 83 GLY N N 15 104.232 0.006 . 1 . . . . 383 GLY N . 18516 1 394 . 1 1 84 84 GLN HE21 H 1 7.546 0.000 . 1 . . . . 384 GLN HE21 . 18516 1 395 . 1 1 84 84 GLN HE22 H 1 6.944 0.000 . 1 . . . . 384 GLN HE22 . 18516 1 396 . 1 1 84 84 GLN C C 13 175.869 0.000 . 1 . . . . 384 GLN CO . 18516 1 397 . 1 1 84 84 GLN CA C 13 58.378 0.000 . 1 . . . . 384 GLN CA . 18516 1 398 . 1 1 84 84 GLN CB C 13 29.619 0.000 . 1 . . . . 384 GLN CB . 18516 1 399 . 1 1 84 84 GLN NE2 N 15 112.165 0.028 . 1 . . . . 384 GLN NE2 . 18516 1 400 . 1 1 85 85 THR H H 1 7.834 0.000 . 1 . . . . 385 THR HN . 18516 1 401 . 1 1 85 85 THR C C 13 173.505 0.000 . 1 . . . . 385 THR CO . 18516 1 402 . 1 1 85 85 THR CA C 13 62.251 0.087 . 1 . . . . 385 THR CA . 18516 1 403 . 1 1 85 85 THR CB C 13 69.544 0.039 . 1 . . . . 385 THR CB . 18516 1 404 . 1 1 85 85 THR N N 15 115.017 0.010 . 1 . . . . 385 THR N . 18516 1 405 . 1 1 86 86 VAL H H 1 9.127 0.002 . 1 . . . . 386 VAL HN . 18516 1 406 . 1 1 86 86 VAL C C 13 173.893 0.000 . 1 . . . . 386 VAL CO . 18516 1 407 . 1 1 86 86 VAL CA C 13 61.651 0.117 . 1 . . . . 386 VAL CA . 18516 1 408 . 1 1 86 86 VAL CB C 13 33.716 0.015 . 1 . . . . 386 VAL CB . 18516 1 409 . 1 1 86 86 VAL N N 15 128.749 0.026 . 1 . . . . 386 VAL N . 18516 1 410 . 1 1 87 87 THR H H 1 9.124 0.000 . 1 . . . . 387 THR HN . 18516 1 411 . 1 1 87 87 THR C C 13 174.632 0.000 . 1 . . . . 387 THR CO . 18516 1 412 . 1 1 87 87 THR CA C 13 62.109 0.064 . 1 . . . . 387 THR CA . 18516 1 413 . 1 1 87 87 THR CB C 13 68.422 0.000 . 1 . . . . 387 THR CB . 18516 1 414 . 1 1 87 87 THR N N 15 123.603 0.007 . 1 . . . . 387 THR N . 18516 1 415 . 1 1 88 88 ILE H H 1 9.900 0.001 . 1 . . . . 388 ILE HN . 18516 1 416 . 1 1 88 88 ILE C C 13 174.608 0.000 . 1 . . . . 388 ILE CO . 18516 1 417 . 1 1 88 88 ILE CA C 13 59.459 0.001 . 1 . . . . 388 ILE CA . 18516 1 418 . 1 1 88 88 ILE CB C 13 41.936 0.001 . 1 . . . . 388 ILE CB . 18516 1 419 . 1 1 88 88 ILE N N 15 132.888 0.002 . 1 . . . . 388 ILE N . 18516 1 420 . 1 1 89 89 ILE H H 1 7.844 0.001 . 1 . . . . 389 ILE HN . 18516 1 421 . 1 1 89 89 ILE C C 13 175.041 0.000 . 1 . . . . 389 ILE CO . 18516 1 422 . 1 1 89 89 ILE CA C 13 59.243 0.020 . 1 . . . . 389 ILE CA . 18516 1 423 . 1 1 89 89 ILE CB C 13 35.758 0.008 . 1 . . . . 389 ILE CB . 18516 1 424 . 1 1 89 89 ILE N N 15 125.496 0.008 . 1 . . . . 389 ILE N . 18516 1 425 . 1 1 90 90 ALA H H 1 8.950 0.002 . 1 . . . . 390 ALA HN . 18516 1 426 . 1 1 90 90 ALA C C 13 175.206 0.000 . 1 . . . . 390 ALA CO . 18516 1 427 . 1 1 90 90 ALA CA C 13 49.349 0.001 . 1 . . . . 390 ALA CA . 18516 1 428 . 1 1 90 90 ALA CB C 13 23.175 0.001 . 1 . . . . 390 ALA CB . 18516 1 429 . 1 1 90 90 ALA N N 15 130.528 0.021 . 1 . . . . 390 ALA N . 18516 1 430 . 1 1 91 91 GLN H H 1 8.843 0.002 . 1 . . . . 391 GLN HN . 18516 1 431 . 1 1 91 91 GLN HE21 H 1 7.660 0.000 . 1 . . . . 391 GLN HE21 . 18516 1 432 . 1 1 91 91 GLN HE22 H 1 6.887 0.000 . 1 . . . . 391 GLN HE22 . 18516 1 433 . 1 1 91 91 GLN C C 13 173.692 0.000 . 1 . . . . 391 GLN CO . 18516 1 434 . 1 1 91 91 GLN CA C 13 54.681 0.017 . 1 . . . . 391 GLN CA . 18516 1 435 . 1 1 91 91 GLN CB C 13 32.715 0.011 . 1 . . . . 391 GLN CB . 18516 1 436 . 1 1 91 91 GLN N N 15 119.325 0.015 . 1 . . . . 391 GLN N . 18516 1 437 . 1 1 91 91 GLN NE2 N 15 109.814 0.001 . 1 . . . . 391 GLN NE2 . 18516 1 438 . 1 1 92 92 TYR H H 1 9.120 0.001 . 1 . . . . 392 TYR HN . 18516 1 439 . 1 1 92 92 TYR C C 13 175.043 0.000 . 1 . . . . 392 TYR CO . 18516 1 440 . 1 1 92 92 TYR CA C 13 59.669 0.090 . 1 . . . . 392 TYR CA . 18516 1 441 . 1 1 92 92 TYR CB C 13 38.226 0.044 . 1 . . . . 392 TYR CB . 18516 1 442 . 1 1 92 92 TYR N N 15 131.005 0.016 . 1 . . . . 392 TYR N . 18516 1 443 . 1 1 93 93 LYS H H 1 7.849 0.002 . 1 . . . . 393 LYS HN . 18516 1 444 . 1 1 93 93 LYS C C 13 172.693 0.000 . 1 . . . . 393 LYS CO . 18516 1 445 . 1 1 93 93 LYS CA C 13 54.352 0.000 . 1 . . . . 393 LYS CA . 18516 1 446 . 1 1 93 93 LYS CB C 13 34.995 0.000 . 1 . . . . 393 LYS CB . 18516 1 447 . 1 1 93 93 LYS N N 15 129.487 0.004 . 1 . . . . 393 LYS N . 18516 1 448 . 1 1 94 94 PRO C C 13 179.360 0.000 . 1 . . . . 394 PRO CO . 18516 1 449 . 1 1 94 94 PRO CA C 13 65.030 0.000 . 1 . . . . 394 PRO CA . 18516 1 450 . 1 1 94 94 PRO CB C 13 30.842 0.000 . 1 . . . . 394 PRO CB . 18516 1 451 . 1 1 95 95 GLU H H 1 8.741 0.003 . 1 . . . . 395 GLU HN . 18516 1 452 . 1 1 95 95 GLU C C 13 179.344 0.000 . 1 . . . . 395 GLU CO . 18516 1 453 . 1 1 95 95 GLU CA C 13 60.186 0.012 . 1 . . . . 395 GLU CA . 18516 1 454 . 1 1 95 95 GLU CB C 13 27.724 0.055 . 1 . . . . 395 GLU CB . 18516 1 455 . 1 1 95 95 GLU N N 15 119.888 0.010 . 1 . . . . 395 GLU N . 18516 1 456 . 1 1 96 96 GLU H H 1 8.392 0.002 . 1 . . . . 396 GLU HN . 18516 1 457 . 1 1 96 96 GLU C C 13 178.382 0.000 . 1 . . . . 396 GLU CO . 18516 1 458 . 1 1 96 96 GLU CA C 13 59.587 0.062 . 1 . . . . 396 GLU CA . 18516 1 459 . 1 1 96 96 GLU CB C 13 29.405 0.105 . 1 . . . . 396 GLU CB . 18516 1 460 . 1 1 96 96 GLU N N 15 122.335 0.022 . 1 . . . . 396 GLU N . 18516 1 461 . 1 1 97 97 TYR H H 1 8.271 0.001 . 1 . . . . 397 TYR HN . 18516 1 462 . 1 1 97 97 TYR C C 13 176.229 0.000 . 1 . . . . 397 TYR CO . 18516 1 463 . 1 1 97 97 TYR CA C 13 59.904 0.075 . 1 . . . . 397 TYR CA . 18516 1 464 . 1 1 97 97 TYR CB C 13 38.876 0.018 . 1 . . . . 397 TYR CB . 18516 1 465 . 1 1 97 97 TYR N N 15 119.011 0.015 . 1 . . . . 397 TYR N . 18516 1 466 . 1 1 98 98 SER H H 1 7.542 0.002 . 1 . . . . 398 SER HN . 18516 1 467 . 1 1 98 98 SER C C 13 175.720 0.000 . 1 . . . . 398 SER CO . 18516 1 468 . 1 1 98 98 SER CA C 13 61.166 0.013 . 1 . . . . 398 SER CA . 18516 1 469 . 1 1 98 98 SER CB C 13 62.863 0.017 . 1 . . . . 398 SER CB . 18516 1 470 . 1 1 98 98 SER N N 15 112.133 0.013 . 1 . . . . 398 SER N . 18516 1 471 . 1 1 99 99 ARG H H 1 7.009 0.000 . 1 . . . . 399 ARG HN . 18516 1 472 . 1 1 99 99 ARG C C 13 177.324 0.000 . 1 . . . . 399 ARG CO . 18516 1 473 . 1 1 99 99 ARG CA C 13 58.186 0.036 . 1 . . . . 399 ARG CA . 18516 1 474 . 1 1 99 99 ARG CB C 13 29.550 0.002 . 1 . . . . 399 ARG CB . 18516 1 475 . 1 1 99 99 ARG N N 15 120.279 0.020 . 1 . . . . 399 ARG N . 18516 1 476 . 1 1 100 100 PHE H H 1 7.773 0.002 . 1 . . . . 400 PHE HN . 18516 1 477 . 1 1 100 100 PHE C C 13 176.301 0.000 . 1 . . . . 400 PHE CO . 18516 1 478 . 1 1 100 100 PHE CA C 13 59.014 0.076 . 1 . . . . 400 PHE CA . 18516 1 479 . 1 1 100 100 PHE CB C 13 38.438 0.010 . 1 . . . . 400 PHE CB . 18516 1 480 . 1 1 100 100 PHE N N 15 117.747 0.059 . 1 . . . . 400 PHE N . 18516 1 481 . 1 1 101 101 GLU H H 1 7.305 0.001 . 1 . . . . 401 GLU HN . 18516 1 482 . 1 1 101 101 GLU C C 13 175.460 0.000 . 1 . . . . 401 GLU CO . 18516 1 483 . 1 1 101 101 GLU CA C 13 56.478 0.003 . 1 . . . . 401 GLU CA . 18516 1 484 . 1 1 101 101 GLU CB C 13 30.517 0.007 . 1 . . . . 401 GLU CB . 18516 1 485 . 1 1 101 101 GLU N N 15 119.455 0.009 . 1 . . . . 401 GLU N . 18516 1 486 . 1 1 102 102 ALA H H 1 7.809 0.001 . 1 . . . . 402 ALA HN . 18516 1 487 . 1 1 102 102 ALA C C 13 176.585 0.000 . 1 . . . . 402 ALA CO . 18516 1 488 . 1 1 102 102 ALA CA C 13 52.441 0.016 . 1 . . . . 402 ALA CA . 18516 1 489 . 1 1 102 102 ALA CB C 13 19.082 0.006 . 1 . . . . 402 ALA CB . 18516 1 490 . 1 1 102 102 ALA N N 15 124.795 0.003 . 1 . . . . 402 ALA N . 18516 1 491 . 1 1 103 103 LYS H H 1 7.737 0.001 . 1 . . . . 403 LYS HN . 18516 1 492 . 1 1 103 103 LYS CA C 13 57.659 0.000 . 1 . . . . 403 LYS CA . 18516 1 493 . 1 1 103 103 LYS CB C 13 33.708 0.000 . 1 . . . . 403 LYS CB . 18516 1 494 . 1 1 103 103 LYS N N 15 126.182 0.014 . 1 . . . . 403 LYS N . 18516 1 stop_ save_