################################### # 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 52627 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FL_KFL_Fak1 _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/HMQC' . . . 52627 1 2 '3D HNCACB' . . . 52627 1 6 '104 (H[N[co[{CA|ca[C]}]]])' . . . 52627 1 7 '3D HNCO' . . . 52627 1 8 '116 (H[N[ca[CO]]])' . . . 52627 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 . . 52627 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 21 21 MET H H 1 8.519 0.012 . 1 . . 77 . . 21 MET H . 52627 1 2 . 1 . 1 21 21 MET C C 13 176.490 0.03 . 1 . . 461 . . 21 MET C . 52627 1 3 . 1 . 1 21 21 MET CA C 13 55.740 0.027 . 1 . . 459 . . 21 MET CA . 52627 1 4 . 1 . 1 21 21 MET CB C 13 32.817 0.018 . 1 . . 460 . . 21 MET CB . 52627 1 5 . 1 . 1 21 21 MET N N 15 122.127 0.055 . 1 . . 78 . . 21 MET N . 52627 1 6 . 1 . 1 22 22 GLU H H 1 8.617 0.01 . 1 . . 179 . . 22 GLU H . 52627 1 7 . 1 . 1 22 22 GLU C C 13 176.679 0.021 . 1 . . 349 . . 22 GLU C . 52627 1 8 . 1 . 1 22 22 GLU CA C 13 56.937 0.02 . 1 . . 350 . . 22 GLU CA . 52627 1 9 . 1 . 1 22 22 GLU CB C 13 30.335 0.078 . 1 . . 351 . . 22 GLU CB . 52627 1 10 . 1 . 1 22 22 GLU N N 15 122.360 0.03 . 1 . . 180 . . 22 GLU N . 52627 1 11 . 1 . 1 23 23 SER H H 1 8.390 0.003 . 1 . . 467 . . 23 SER H . 52627 1 12 . 1 . 1 23 23 SER C C 13 174.781 0.011 . 1 . . 472 . . 23 SER C . 52627 1 13 . 1 . 1 23 23 SER CA C 13 58.651 0.021 . 1 . . 469 . . 23 SER CA . 52627 1 14 . 1 . 1 23 23 SER CB C 13 63.781 0.026 . 1 . . 470 . . 23 SER CB . 52627 1 15 . 1 . 1 23 23 SER N N 15 116.937 0.019 . 1 . . 468 . . 23 SER N . 52627 1 16 . 1 . 1 24 24 ARG H H 1 8.377 0.007 . 1 . . 91 . . 24 ARG H . 52627 1 17 . 1 . 1 24 24 ARG C C 13 176.445 0.024 . 1 . . 261 . . 24 ARG C . 52627 1 18 . 1 . 1 24 24 ARG CA C 13 56.397 0.037 . 1 . . 259 . . 24 ARG CA . 52627 1 19 . 1 . 1 24 24 ARG CB C 13 30.696 0.067 . 1 . . 260 . . 24 ARG CB . 52627 1 20 . 1 . 1 24 24 ARG N N 15 122.885 0.063 . 1 . . 92 . . 24 ARG N . 52627 1 21 . 1 . 1 25 25 ARG H H 1 8.359 0.003 . 1 . . 254 . . 25 ARG H . 52627 1 22 . 1 . 1 25 25 ARG C C 13 176.426 0.031 . 1 . . 258 . . 25 ARG C . 52627 1 23 . 1 . 1 25 25 ARG CA C 13 56.451 0.046 . 1 . . 256 . . 25 ARG CA . 52627 1 24 . 1 . 1 25 25 ARG CB C 13 30.719 0.036 . 1 . . 257 . . 25 ARG CB . 52627 1 25 . 1 . 1 25 25 ARG N N 15 122.104 0.031 . 1 . . 255 . . 25 ARG N . 52627 1 26 . 1 . 1 26 26 GLN H H 1 8.434 0.004 . 1 . . 117 . . 26 GLN H . 52627 1 27 . 1 . 1 26 26 GLN C C 13 175.681 0.024 . 1 . . 253 . . 26 GLN C . 52627 1 28 . 1 . 1 26 26 GLN CA C 13 55.936 0.05 . 1 . . 251 . . 26 GLN CA . 52627 1 29 . 1 . 1 26 26 GLN CB C 13 29.602 0.021 . 1 . . 252 . . 26 GLN CB . 52627 1 30 . 1 . 1 26 26 GLN N N 15 121.642 0.014 . 1 . . 118 . . 26 GLN N . 52627 1 31 . 1 . 1 27 27 ALA H H 1 8.409 0.006 . 1 . . 85 . . 27 ALA H . 52627 1 32 . 1 . 1 27 27 ALA C C 13 177.847 0.035 . 1 . . 250 . . 27 ALA C . 52627 1 33 . 1 . 1 27 27 ALA CA C 13 52.714 0.054 . 1 . . 248 . . 27 ALA CA . 52627 1 34 . 1 . 1 27 27 ALA CB C 13 19.405 0.032 . 1 . . 249 . . 27 ALA CB . 52627 1 35 . 1 . 1 27 27 ALA N N 15 125.353 0.004 . 1 . . 86 . . 27 ALA N . 52627 1 36 . 1 . 1 28 28 THR H H 1 8.182 0.005 . 1 . . 69 . . 28 THR H . 52627 1 37 . 1 . 1 28 28 THR C C 13 174.520 0.022 . 1 . . 247 . . 28 THR C . 52627 1 38 . 1 . 1 28 28 THR CA C 13 61.983 0.017 . 1 . . 245 . . 28 THR CA . 52627 1 39 . 1 . 1 28 28 THR CB C 13 69.926 0.02 . 1 . . 246 . . 28 THR CB . 52627 1 40 . 1 . 1 28 28 THR N N 15 113.887 0.06 . 1 . . 70 . . 28 THR N . 52627 1 41 . 1 . 1 29 29 VAL H H 1 8.156 0.003 . 1 . . 59 . . 29 VAL H . 52627 1 42 . 1 . 1 29 29 VAL C C 13 175.930 0.015 . 1 . . 244 . . 29 VAL C . 52627 1 43 . 1 . 1 29 29 VAL CA C 13 62.092 0.04 . 1 . . 242 . . 29 VAL CA . 52627 1 44 . 1 . 1 29 29 VAL CB C 13 32.957 0.041 . 1 . . 243 . . 29 VAL CB . 52627 1 45 . 1 . 1 29 29 VAL N N 15 122.126 0.07 . 1 . . 60 . . 29 VAL N . 52627 1 46 . 1 . 1 30 30 SER H H 1 8.326 0.004 . 1 . . 109 . . 30 SER H . 52627 1 47 . 1 . 1 30 30 SER C C 13 174.376 0.035 . 1 . . 241 . . 30 SER C . 52627 1 48 . 1 . 1 30 30 SER CA C 13 58.100 0.056 . 1 . . 239 . . 30 SER CA . 52627 1 49 . 1 . 1 30 30 SER CB C 13 63.899 0.014 . 1 . . 240 . . 30 SER CB . 52627 1 50 . 1 . 1 30 30 SER N N 15 119.214 0.045 . 1 . . 110 . . 30 SER N . 52627 1 51 . 1 . 1 31 31 TRP H H 1 8.228 0.002 . 1 . . 143 . . 31 TRP H . 52627 1 52 . 1 . 1 31 31 TRP C C 13 175.810 0.007 . 1 . . 238 . . 31 TRP C . 52627 1 53 . 1 . 1 31 31 TRP CA C 13 57.450 0.04 . 1 . . 236 . . 31 TRP CA . 52627 1 54 . 1 . 1 31 31 TRP CB C 13 29.637 0.026 . 1 . . 237 . . 31 TRP CB . 52627 1 55 . 1 . 1 31 31 TRP N N 15 123.435 0.039 . 1 . . 144 . . 31 TRP N . 52627 1 56 . 1 . 1 32 32 ASP H H 1 8.178 0.005 . 1 . . 75 . . 32 ASP H . 52627 1 57 . 1 . 1 32 32 ASP C C 13 176.159 0.027 . 1 . . 211 . . 32 ASP C . 52627 1 58 . 1 . 1 32 32 ASP CA C 13 54.010 0.024 . 1 . . 212 . . 32 ASP CA . 52627 1 59 . 1 . 1 32 32 ASP CB C 13 41.172 0.032 . 1 . . 213 . . 32 ASP CB . 52627 1 60 . 1 . 1 32 32 ASP N N 15 121.846 0.011 . 1 . . 76 . . 32 ASP N . 52627 1 61 . 1 . 1 33 33 SER H H 1 8.203 0.004 . 1 . . 49 . . 33 SER H . 52627 1 62 . 1 . 1 33 33 SER C C 13 175.352 0.016 . 1 . . 210 . . 33 SER C . 52627 1 63 . 1 . 1 33 33 SER CA C 13 58.755 0.025 . 1 . . 207 . . 33 SER CA . 52627 1 64 . 1 . 1 33 33 SER CB C 13 63.834 0.021 . 1 . . 208 . . 33 SER CB . 52627 1 65 . 1 . 1 33 33 SER N N 15 116.819 0.043 . 1 . . 50 . . 33 SER N . 52627 1 66 . 1 . 1 34 34 GLY H H 1 8.517 0.002 . 1 . . 47 . . 34 GLY H . 52627 1 67 . 1 . 1 34 34 GLY C C 13 174.803 0.024 . 1 . . 513 . . 34 GLY C . 52627 1 68 . 1 . 1 34 34 GLY CA C 13 45.580 0.047 . 1 . . 209 . . 34 GLY CA . 52627 1 69 . 1 . 1 34 34 GLY N N 15 110.879 0.021 . 1 . . 48 . . 34 GLY N . 52627 1 70 . 1 . 1 35 35 GLY H H 1 8.278 0.002 . 1 . . 65 . . 35 GLY H . 52627 1 71 . 1 . 1 35 35 GLY C C 13 174.313 0.019 . 1 . . 215 . . 35 GLY C . 52627 1 72 . 1 . 1 35 35 GLY CA C 13 45.291 0.065 . 1 . . 214 . . 35 GLY CA . 52627 1 73 . 1 . 1 35 35 GLY N N 15 108.820 0.038 . 1 . . 66 . . 35 GLY N . 52627 1 74 . 1 . 1 36 36 SER H H 1 8.300 0.005 . 1 . . 129 . . 36 SER H . 52627 1 75 . 1 . 1 36 36 SER C C 13 174.439 0.027 . 1 . . 218 . . 36 SER C . 52627 1 76 . 1 . 1 36 36 SER CA C 13 58.346 0.028 . 1 . . 216 . . 36 SER CA . 52627 1 77 . 1 . 1 36 36 SER CB C 13 64.035 0.022 . 1 . . 217 . . 36 SER CB . 52627 1 78 . 1 . 1 36 36 SER N N 15 115.512 0.043 . 1 . . 130 . . 36 SER N . 52627 1 79 . 1 . 1 37 37 ASP H H 1 8.514 0.002 . 1 . . 159 . . 37 ASP H . 52627 1 80 . 1 . 1 37 37 ASP C C 13 176.103 0.005 . 1 . . 221 . . 37 ASP C . 52627 1 81 . 1 . 1 37 37 ASP CA C 13 54.518 0.019 . 1 . . 219 . . 37 ASP CA . 52627 1 82 . 1 . 1 37 37 ASP CB C 13 41.059 0.007 . 1 . . 220 . . 37 ASP CB . 52627 1 83 . 1 . 1 37 37 ASP N N 15 122.363 0.006 . 1 . . 160 . . 37 ASP N . 52627 1 84 . 1 . 1 38 38 GLU H H 1 8.261 0.005 . 1 . . 115 . . 38 GLU H . 52627 1 85 . 1 . 1 38 38 GLU C C 13 175.810 0.016 . 1 . . 235 . . 38 GLU C . 52627 1 86 . 1 . 1 38 38 GLU CA C 13 56.251 0.034 . 1 . . 234 . . 38 GLU CA . 52627 1 87 . 1 . 1 38 38 GLU CB C 13 30.498 0.039 . 1 . . 233 . . 38 GLU CB . 52627 1 88 . 1 . 1 38 38 GLU N N 15 120.680 0.023 . 1 . . 116 . . 38 GLU N . 52627 1 89 . 1 . 1 39 39 ALA H H 1 8.302 0.004 . 1 . . 57 . . 39 ALA H . 52627 1 90 . 1 . 1 39 39 ALA C C 13 174.844 0.016 . 1 . . 230 . . 39 ALA C . 52627 1 91 . 1 . 1 39 39 ALA CA C 13 50.489 0.002 . 1 . . 231 . . 39 ALA CA . 52627 1 92 . 1 . 1 39 39 ALA CB C 13 18.208 0.043 . 1 . . 232 . . 39 ALA CB . 52627 1 93 . 1 . 1 39 39 ALA N N 15 126.573 0.019 . 1 . . 58 . . 39 ALA N . 52627 1 94 . 1 . 1 47 47 GLY H H 1 8.534 0.005 . 1 . . 549 . . 47 GLY H . 52627 1 95 . 1 . 1 47 47 GLY C C 13 173.526 . . 1 . . 628 . . 47 GLY C . 52627 1 96 . 1 . 1 47 47 GLY CA C 13 45.067 0.025 . 1 . . 550 . . 47 GLY CA . 52627 1 97 . 1 . 1 47 47 GLY N N 15 109.574 0.01 . 1 . . 548 . . 47 GLY N . 52627 1 98 . 1 . 1 48 48 TYR H H 1 8.016 0.002 . 1 . . 45 . . 48 TYR H . 52627 1 99 . 1 . 1 48 48 TYR C C 13 173.940 . . 1 . . 450 . . 48 TYR C . 52627 1 100 . 1 . 1 48 48 TYR CA C 13 55.904 0.01 . 1 . . 448 . . 48 TYR CA . 52627 1 101 . 1 . 1 48 48 TYR CB C 13 38.546 0.014 . 1 . . 449 . . 48 TYR CB . 52627 1 102 . 1 . 1 48 48 TYR N N 15 120.932 0.015 . 1 . . 46 . . 48 TYR N . 52627 1 103 . 1 . 1 55 55 GLU H H 1 8.390 0.005 . 1 . . 596 . . 55 GLU H . 52627 1 104 . 1 . 1 55 55 GLU C C 13 176.793 0.022 . 1 . . 614 . . 55 GLU C . 52627 1 105 . 1 . 1 55 55 GLU CA C 13 56.969 0.027 . 1 . . 597 . . 55 GLU CA . 52627 1 106 . 1 . 1 55 55 GLU CB C 13 30.246 0.005 . 1 . . 598 . . 55 GLU CB . 52627 1 107 . 1 . 1 55 55 GLU N N 15 122.206 0.005 . 1 . . 595 . . 55 GLU N . 52627 1 108 . 1 . 1 56 56 GLY H H 1 8.300 0.004 . 1 . . 145 . . 56 GLY H . 52627 1 109 . 1 . 1 56 56 GLY C C 13 173.340 0.018 . 1 . . 496 . . 56 GLY C . 52627 1 110 . 1 . 1 56 56 GLY CA C 13 45.148 0.026 . 1 . . 495 . . 56 GLY CA . 52627 1 111 . 1 . 1 56 56 GLY N N 15 109.167 0.014 . 1 . . 146 . . 56 GLY N . 52627 1 112 . 1 . 1 57 57 PHE H H 1 7.959 0.003 . 1 . . 157 . . 57 PHE H . 52627 1 113 . 1 . 1 57 57 PHE C C 13 174.734 0.017 . 1 . . 377 . . 57 PHE C . 52627 1 114 . 1 . 1 57 57 PHE CA C 13 57.665 0.015 . 1 . . 378 . . 57 PHE CA . 52627 1 115 . 1 . 1 57 57 PHE CB C 13 39.915 0.04 . 1 . . 379 . . 57 PHE CB . 52627 1 116 . 1 . 1 57 57 PHE N N 15 119.935 0.034 . 1 . . 158 . . 57 PHE N . 52627 1 117 . 1 . 1 58 58 TYR H H 1 8.153 0.003 . 1 . . 151 . . 58 TYR H . 52627 1 118 . 1 . 1 58 58 TYR C C 13 173.416 . . 1 . . 499 . . 58 TYR C . 52627 1 119 . 1 . 1 58 58 TYR CA C 13 55.421 0.001 . 1 . . 497 . . 58 TYR CA . 52627 1 120 . 1 . 1 58 58 TYR CB C 13 38.681 0.014 . 1 . . 498 . . 58 TYR CB . 52627 1 121 . 1 . 1 58 58 TYR N N 15 123.366 0.002 . 1 . . 152 . . 58 TYR N . 52627 1 122 . 1 . 1 80 80 GLY H H 1 8.334 0.003 . 1 . . 629 . . 80 GLY H . 52627 1 123 . 1 . 1 80 80 GLY C C 13 174.114 . . 1 . . 632 . . 80 GLY C . 52627 1 124 . 1 . 1 80 80 GLY CA C 13 45.338 0.028 . 1 . . 631 . . 80 GLY CA . 52627 1 125 . 1 . 1 80 80 GLY N N 15 109.575 0.014 . 1 . . 630 . . 80 GLY N . 52627 1 126 . 1 . 1 81 81 ILE H H 1 8.145 0.013 . 1 . . 113 . . 81 ILE H . 52627 1 127 . 1 . 1 81 81 ILE C C 13 176.723 0.039 . 1 . . 386 . . 81 ILE C . 52627 1 128 . 1 . 1 81 81 ILE CA C 13 61.346 0.075 . 1 . . 387 . . 81 ILE CA . 52627 1 129 . 1 . 1 81 81 ILE CB C 13 38.718 0.058 . 1 . . 388 . . 81 ILE CB . 52627 1 130 . 1 . 1 81 81 ILE N N 15 120.222 0.067 . 1 . . 114 . . 81 ILE N . 52627 1 131 . 1 . 1 82 82 THR H H 1 8.257 0.014 . 1 . . 9 . . 82 THR H . 52627 1 132 . 1 . 1 82 82 THR C C 13 174.273 0.012 . 1 . . 547 . . 82 THR C . 52627 1 133 . 1 . 1 82 82 THR CA C 13 62.060 0.041 . 1 . . 201 . . 82 THR CA . 52627 1 134 . 1 . 1 82 82 THR CB C 13 69.839 0.023 . 1 . . 202 . . 82 THR CB . 52627 1 135 . 1 . 1 82 82 THR N N 15 118.340 0.133 . 1 . . 10 . . 82 THR N . 52627 1 136 . 1 . 1 83 83 ALA H H 1 8.326 0.01 . 1 . . 63 . . 83 ALA H . 52627 1 137 . 1 . 1 83 83 ALA C C 13 177.623 0.031 . 1 . . 300 . . 83 ALA C . 52627 1 138 . 1 . 1 83 83 ALA CA C 13 52.619 0.013 . 1 . . 301 . . 83 ALA CA . 52627 1 139 . 1 . 1 83 83 ALA CB C 13 19.336 0.045 . 1 . . 302 . . 83 ALA CB . 52627 1 140 . 1 . 1 83 83 ALA N N 15 126.389 0.108 . 1 . . 64 . . 83 ALA N . 52627 1 141 . 1 . 1 84 84 MET H H 1 8.305 0.003 . 1 . . 586 . . 84 MET H . 52627 1 142 . 1 . 1 84 84 MET C C 13 176.148 0.003 . 1 . . 613 . . 84 MET C . 52627 1 143 . 1 . 1 84 84 MET CA C 13 55.526 0.058 . 1 . . 588 . . 84 MET CA . 52627 1 144 . 1 . 1 84 84 MET CB C 13 33.031 0.057 . 1 . . 589 . . 84 MET CB . 52627 1 145 . 1 . 1 84 84 MET N N 15 119.475 0.008 . 1 . . 587 . . 84 MET N . 52627 1 146 . 1 . 1 85 85 ALA H H 1 8.354 0.005 . 1 . . 95 . . 85 ALA H . 52627 1 147 . 1 . 1 85 85 ALA C C 13 178.178 0.014 . 1 . . 546 . . 85 ALA C . 52627 1 148 . 1 . 1 85 85 ALA CA C 13 52.996 0.017 . 1 . . 475 . . 85 ALA CA . 52627 1 149 . 1 . 1 85 85 ALA CB C 13 19.096 0.086 . 1 . . 476 . . 85 ALA CB . 52627 1 150 . 1 . 1 85 85 ALA N N 15 125.338 0.013 . 1 . . 96 . . 85 ALA N . 52627 1 151 . 1 . 1 86 86 GLY H H 1 8.428 0.007 . 1 . . 5 . . 86 GLY H . 52627 1 152 . 1 . 1 86 86 GLY C C 13 174.169 0.044 . 1 . . 278 . . 86 GLY C . 52627 1 153 . 1 . 1 86 86 GLY CA C 13 45.354 0.027 . 1 . . 198 . . 86 GLY CA . 52627 1 154 . 1 . 1 86 86 GLY N N 15 108.296 0.059 . 1 . . 6 . . 86 GLY N . 52627 1 155 . 1 . 1 87 87 SER H H 1 8.141 0.01 . 1 . . 389 . . 87 SER H . 52627 1 156 . 1 . 1 87 87 SER C C 13 174.181 0.009 . 1 . . 391 . . 87 SER C . 52627 1 157 . 1 . 1 87 87 SER CA C 13 58.312 0.042 . 1 . . 392 . . 87 SER CA . 52627 1 158 . 1 . 1 87 87 SER CB C 13 64.047 0.057 . 1 . . 393 . . 87 SER CB . 52627 1 159 . 1 . 1 87 87 SER N N 15 115.343 0.073 . 1 . . 390 . . 87 SER N . 52627 1 160 . 1 . 1 88 88 ILE H H 1 8.057 0.004 . 1 . . 177 . . 88 ILE H . 52627 1 161 . 1 . 1 88 88 ILE C C 13 175.590 0.033 . 1 . . 298 . . 88 ILE C . 52627 1 162 . 1 . 1 88 88 ILE CA C 13 61.099 0.052 . 1 . . 507 . . 88 ILE CA . 52627 1 163 . 1 . 1 88 88 ILE CB C 13 38.837 0.022 . 1 . . 299 . . 88 ILE CB . 52627 1 164 . 1 . 1 88 88 ILE N N 15 121.345 0.091 . 1 . . 178 . . 88 ILE N . 52627 1 165 . 1 . 1 89 89 TYR H H 1 8.254 0.002 . 1 . . 564 . . 89 TYR H . 52627 1 166 . 1 . 1 89 89 TYR C C 13 174.028 . . 1 . . 612 . . 89 TYR C . 52627 1 167 . 1 . 1 89 89 TYR CA C 13 55.454 . . 1 . . 566 . . 89 TYR CA . 52627 1 168 . 1 . 1 89 89 TYR CB C 13 38.374 . . 1 . . 567 . . 89 TYR CB . 52627 1 169 . 1 . 1 89 89 TYR N N 15 124.817 0.006 . 1 . . 565 . . 89 TYR N . 52627 1 170 . 1 . 1 91 91 GLY H H 1 8.139 0.012 . 1 . . 139 . . 91 GLY H . 52627 1 171 . 1 . 1 91 91 GLY C C 13 174.341 0.058 . 1 . . 296 . . 91 GLY C . 52627 1 172 . 1 . 1 91 91 GLY CA C 13 45.351 0.018 . 1 . . 494 . . 91 GLY CA . 52627 1 173 . 1 . 1 91 91 GLY N N 15 109.193 0.102 . 1 . . 140 . . 91 GLY N . 52627 1 174 . 1 . 1 92 92 GLN H H 1 8.143 0.006 . 1 . . 527 . . 92 GLN H . 52627 1 175 . 1 . 1 92 92 GLN C C 13 176.033 0.039 . 1 . . 530 . . 92 GLN C . 52627 1 176 . 1 . 1 92 92 GLN CA C 13 56.034 0.027 . 1 . . 528 . . 92 GLN CA . 52627 1 177 . 1 . 1 92 92 GLN CB C 13 29.634 0.062 . 1 . . 529 . . 92 GLN CB . 52627 1 178 . 1 . 1 92 92 GLN N N 15 119.898 0.053 . 1 . . 526 . . 92 GLN N . 52627 1 179 . 1 . 1 93 93 ALA H H 1 8.453 0.002 . 1 . . 135 . . 93 ALA H . 52627 1 180 . 1 . 1 93 93 ALA C C 13 177.943 0.048 . 1 . . 303 . . 93 ALA C . 52627 1 181 . 1 . 1 93 93 ALA CA C 13 52.994 0.063 . 1 . . 304 . . 93 ALA CA . 52627 1 182 . 1 . 1 93 93 ALA CB C 13 19.216 0.04 . 1 . . 305 . . 93 ALA CB . 52627 1 183 . 1 . 1 93 93 ALA N N 15 125.197 0.082 . 1 . . 136 . . 93 ALA N . 52627 1 184 . 1 . 1 94 94 SER H H 1 8.322 0.003 . 1 . . 173 . . 94 SER H . 52627 1 185 . 1 . 1 94 94 SER C C 13 174.814 0.012 . 1 . . 611 . . 94 SER C . 52627 1 186 . 1 . 1 94 94 SER CA C 13 58.411 0.029 . 1 . . 289 . . 94 SER CA . 52627 1 187 . 1 . 1 94 94 SER CB C 13 63.863 0.02 . 1 . . 288 . . 94 SER CB . 52627 1 188 . 1 . 1 94 94 SER N N 15 114.708 0.054 . 1 . . 174 . . 94 SER N . 52627 1 189 . 1 . 1 95 95 LEU H H 1 8.276 0.002 . 1 . . 568 . . 95 LEU H . 52627 1 190 . 1 . 1 95 95 LEU C C 13 177.600 0.007 . 1 . . 610 . . 95 LEU C . 52627 1 191 . 1 . 1 95 95 LEU CA C 13 55.656 0.006 . 1 . . 570 . . 95 LEU CA . 52627 1 192 . 1 . 1 95 95 LEU CB C 13 42.162 0.002 . 1 . . 585 . . 95 LEU CB . 52627 1 193 . 1 . 1 95 95 LEU N N 15 123.856 0.003 . 1 . . 569 . . 95 LEU N . 52627 1 194 . 1 . 1 96 96 LEU H H 1 8.109 0.005 . 1 . . 133 . . 96 LEU H . 52627 1 195 . 1 . 1 96 96 LEU C C 13 177.237 0.03 . 1 . . 493 . . 96 LEU C . 52627 1 196 . 1 . 1 96 96 LEU CA C 13 55.422 0.032 . 1 . . 491 . . 96 LEU CA . 52627 1 197 . 1 . 1 96 96 LEU CB C 13 42.313 0.128 . 1 . . 492 . . 96 LEU CB . 52627 1 198 . 1 . 1 96 96 LEU N N 15 121.377 0.088 . 1 . . 134 . . 96 LEU N . 52627 1 199 . 1 . 1 97 97 ASP H H 1 8.214 0.005 . 1 . . 119 . . 97 ASP H . 52627 1 200 . 1 . 1 97 97 ASP C C 13 176.986 0.449 . 1 . . 482 . . 97 ASP C . 52627 1 201 . 1 . 1 97 97 ASP CA C 13 54.525 0.043 . 1 . . 480 . . 97 ASP CA . 52627 1 202 . 1 . 1 97 97 ASP CB C 13 41.160 0.042 . 1 . . 481 . . 97 ASP CB . 52627 1 203 . 1 . 1 97 97 ASP N N 15 120.362 0.031 . 1 . . 120 . . 97 ASP N . 52627 1 204 . 1 . 1 98 98 GLN H H 1 8.346 0.003 . 1 . . 369 . . 98 GLN H . 52627 1 205 . 1 . 1 98 98 GLN C C 13 176.455 0.02 . 1 . . 371 . . 98 GLN C . 52627 1 206 . 1 . 1 98 98 GLN CA C 13 56.056 0.037 . 1 . . 372 . . 98 GLN CA . 52627 1 207 . 1 . 1 98 98 GLN CB C 13 29.293 0.065 . 1 . . 373 . . 98 GLN CB . 52627 1 208 . 1 . 1 98 98 GLN N N 15 120.760 0.098 . 1 . . 370 . . 98 GLN N . 52627 1 209 . 1 . 1 99 99 THR H H 1 8.271 0.003 . 1 . . 181 . . 99 THR H . 52627 1 210 . 1 . 1 99 99 THR C C 13 174.654 0.023 . 1 . . 290 . . 99 THR C . 52627 1 211 . 1 . 1 99 99 THR CA C 13 62.740 0.017 . 1 . . 291 . . 99 THR CA . 52627 1 212 . 1 . 1 99 99 THR CB C 13 69.802 0.046 . 1 . . 292 . . 99 THR CB . 52627 1 213 . 1 . 1 99 99 THR N N 15 114.603 0.068 . 1 . . 182 . . 99 THR N . 52627 1 214 . 1 . 1 100 100 ASP H H 1 8.388 0.007 . 1 . . 103 . . 100 ASP H . 52627 1 215 . 1 . 1 100 100 ASP C C 13 176.728 0.04 . 1 . . 287 . . 100 ASP C . 52627 1 216 . 1 . 1 100 100 ASP CA C 13 54.547 0.037 . 1 . . 286 . . 100 ASP CA . 52627 1 217 . 1 . 1 100 100 ASP CB C 13 41.084 0.049 . 1 . . 285 . . 100 ASP CB . 52627 1 218 . 1 . 1 100 100 ASP N N 15 122.172 0.046 . 1 . . 104 . . 100 ASP N . 52627 1 219 . 1 . 1 101 101 SER H H 1 8.196 0.013 . 1 . . 111 . . 101 SER H . 52627 1 220 . 1 . 1 101 101 SER C C 13 174.894 0.074 . 1 . . 338 . . 101 SER C . 52627 1 221 . 1 . 1 101 101 SER CA C 13 59.178 0.02 . 1 . . 339 . . 101 SER CA . 52627 1 222 . 1 . 1 101 101 SER CB C 13 63.593 0.057 . 1 . . 340 . . 101 SER CB . 52627 1 223 . 1 . 1 101 101 SER N N 15 115.717 0.095 . 1 . . 112 . . 101 SER N . 52627 1 224 . 1 . 1 102 102 TRP H H 1 8.099 0.005 . 1 . . 31 . . 102 TRP H . 52627 1 225 . 1 . 1 102 102 TRP C C 13 176.270 0.017 . 1 . . 442 . . 102 TRP C . 52627 1 226 . 1 . 1 102 102 TRP CA C 13 57.734 0.013 . 1 . . 524 . . 102 TRP CA . 52627 1 227 . 1 . 1 102 102 TRP CB C 13 29.206 0.085 . 1 . . 525 . . 102 TRP CB . 52627 1 228 . 1 . 1 102 102 TRP N N 15 122.144 0.022 . 1 . . 32 . . 102 TRP N . 52627 1 229 . 1 . 1 103 103 ASN H H 1 8.062 0.012 . 1 . . 55 . . 103 ASN H . 52627 1 230 . 1 . 1 103 103 ASN C C 13 174.763 0.029 . 1 . . 453 . . 103 ASN C . 52627 1 231 . 1 . 1 103 103 ASN CA C 13 53.319 0.047 . 1 . . 452 . . 103 ASN CA . 52627 1 232 . 1 . 1 103 103 ASN CB C 13 38.391 0.007 . 1 . . 451 . . 103 ASN CB . 52627 1 233 . 1 . 1 103 103 ASN N N 15 118.881 0.064 . 1 . . 56 . . 103 ASN N . 52627 1 234 . 1 . 1 107 107 GLN H H 1 8.564 0.017 . 1 . . 71 . . 107 GLN H . 52627 1 235 . 1 . 1 107 107 GLN C C 13 176.068 0.118 . 1 . . 458 . . 107 GLN C . 52627 1 236 . 1 . 1 107 107 GLN CA C 13 56.318 0.009 . 1 . . 456 . . 107 GLN CA . 52627 1 237 . 1 . 1 107 107 GLN CB C 13 29.425 0.08 . 1 . . 457 . . 107 GLN CB . 52627 1 238 . 1 . 1 107 107 GLN N N 15 120.276 0.155 . 1 . . 72 . . 107 GLN N . 52627 1 239 . 1 . 1 108 108 GLU H H 1 8.432 0.001 . 1 . . 622 . . 108 GLU H . 52627 1 240 . 1 . 1 108 108 GLU C C 13 176.466 0.024 . 1 . . 623 . . 108 GLU C . 52627 1 241 . 1 . 1 108 108 GLU CA C 13 56.511 0.002 . 1 . . 625 . . 108 GLU CA . 52627 1 242 . 1 . 1 108 108 GLU CB C 13 30.286 0.003 . 1 . . 624 . . 108 GLU CB . 52627 1 243 . 1 . 1 108 108 GLU N N 15 121.838 0.012 . 1 . . 621 . . 108 GLU N . 52627 1 244 . 1 . 1 109 109 ILE H H 1 8.120 0.003 . 1 . . 615 . . 109 ILE H . 52627 1 245 . 1 . 1 109 109 ILE C C 13 175.923 0.015 . 1 . . 619 . . 109 ILE C . 52627 1 246 . 1 . 1 109 109 ILE CA C 13 61.268 0.035 . 1 . . 617 . . 109 ILE CA . 52627 1 247 . 1 . 1 109 109 ILE CB C 13 38.779 0.001 . 1 . . 618 . . 109 ILE CB . 52627 1 248 . 1 . 1 109 109 ILE N N 15 121.576 0.005 . 1 . . 616 . . 109 ILE N . 52627 1 249 . 1 . 1 110 110 ALA H H 1 8.339 0.003 . 1 . . 556 . . 110 ALA H . 52627 1 250 . 1 . 1 110 110 ALA C C 13 177.561 0.007 . 1 . . 609 . . 110 ALA C . 52627 1 251 . 1 . 1 110 110 ALA CA C 13 52.587 0.001 . 1 . . 558 . . 110 ALA CA . 52627 1 252 . 1 . 1 110 110 ALA CB C 13 19.222 0.061 . 1 . . 559 . . 110 ALA CB . 52627 1 253 . 1 . 1 110 110 ALA N N 15 127.400 0.006 . 1 . . 557 . . 110 ALA N . 52627 1 254 . 1 . 1 111 111 MET H H 1 8.223 0.002 . 1 . . 591 . . 111 MET H . 52627 1 255 . 1 . 1 111 111 MET C C 13 175.712 . . 1 . . 620 . . 111 MET C . 52627 1 256 . 1 . 1 111 111 MET CA C 13 54.632 . . 1 . . 592 . . 111 MET CA . 52627 1 257 . 1 . 1 111 111 MET CB C 13 41.184 . . 1 . . 593 . . 111 MET CB . 52627 1 258 . 1 . 1 111 111 MET N N 15 119.120 0.003 . 1 . . 590 . . 111 MET N . 52627 1 259 . 1 . 1 115 115 ASN H H 1 8.528 0.003 . 1 . . 3 . . 115 ASN H . 52627 1 260 . 1 . 1 115 115 ASN C C 13 175.385 0.009 . 1 . . 531 . . 115 ASN C . 52627 1 261 . 1 . 1 115 115 ASN CA C 13 53.302 0.045 . 1 . . 196 . . 115 ASN CA . 52627 1 262 . 1 . 1 115 115 ASN CB C 13 38.848 0.019 . 1 . . 197 . . 115 ASN CB . 52627 1 263 . 1 . 1 115 115 ASN N N 15 118.633 0.02 . 1 . . 4 . . 115 ASN N . 52627 1 264 . 1 . 1 116 116 VAL H H 1 8.149 0.013 . 1 . . 189 . . 116 VAL H . 52627 1 265 . 1 . 1 116 116 VAL C C 13 176.259 0.007 . 1 . . 398 . . 116 VAL C . 52627 1 266 . 1 . 1 116 116 VAL CA C 13 62.560 0.047 . 1 . . 511 . . 116 VAL CA . 52627 1 267 . 1 . 1 116 116 VAL CB C 13 32.707 0.038 . 1 . . 399 . . 116 VAL CB . 52627 1 268 . 1 . 1 116 116 VAL N N 15 120.525 0.061 . 1 . . 190 . . 116 VAL N . 52627 1 269 . 1 . 1 117 117 GLU H H 1 8.554 0.004 . 1 . . 89 . . 117 GLU H . 52627 1 270 . 1 . 1 117 117 GLU C C 13 176.283 0.02 . 1 . . 324 . . 117 GLU C . 52627 1 271 . 1 . 1 117 117 GLU CA C 13 56.785 0.046 . 1 . . 325 . . 117 GLU CA . 52627 1 272 . 1 . 1 117 117 GLU CB C 13 30.206 0.041 . 1 . . 464 . . 117 GLU CB . 52627 1 273 . 1 . 1 117 117 GLU N N 15 123.832 0.082 . 1 . . 90 . . 117 GLU N . 52627 1 274 . 1 . 1 118 118 ASP H H 1 8.331 0.008 . 1 . . 155 . . 118 ASP H . 52627 1 275 . 1 . 1 118 118 ASP C C 13 176.576 0.013 . 1 . . 501 . . 118 ASP C . 52627 1 276 . 1 . 1 118 118 ASP CA C 13 54.402 0.032 . 1 . . 383 . . 118 ASP CA . 52627 1 277 . 1 . 1 118 118 ASP CB C 13 41.284 0.08 . 1 . . 500 . . 118 ASP CB . 52627 1 278 . 1 . 1 118 118 ASP N N 15 121.457 0.05 . 1 . . 156 . . 118 ASP N . 52627 1 279 . 1 . 1 119 119 SER H H 1 8.409 0.003 . 1 . . 1 . . 119 SER H . 52627 1 280 . 1 . 1 119 119 SER C C 13 175.090 0.017 . 1 . . 471 . . 119 SER C . 52627 1 281 . 1 . 1 119 119 SER CA C 13 58.997 0.039 . 1 . . 193 . . 119 SER CA . 52627 1 282 . 1 . 1 119 119 SER CB C 13 63.752 0.059 . 1 . . 194 . . 119 SER CB . 52627 1 283 . 1 . 1 119 119 SER N N 15 116.901 0.017 . 1 . . 2 . . 119 SER N . 52627 1 284 . 1 . 1 120 120 THR H H 1 8.348 0.003 . 1 . . 93 . . 120 THR H . 52627 1 285 . 1 . 1 120 120 THR C C 13 174.885 0.008 . 1 . . 473 . . 120 THR C . 52627 1 286 . 1 . 1 120 120 THR CA C 13 62.898 0.054 . 1 . . 465 . . 120 THR CA . 52627 1 287 . 1 . 1 120 120 THR CB C 13 69.697 0.032 . 1 . . 466 . . 120 THR CB . 52627 1 288 . 1 . 1 120 120 THR N N 15 116.200 0.023 . 1 . . 94 . . 120 THR N . 52627 1 289 . 1 . 1 121 121 VAL H H 1 8.004 0.012 . 1 . . 183 . . 121 VAL H . 52627 1 290 . 1 . 1 121 121 VAL C C 13 176.180 0.025 . 1 . . 396 . . 121 VAL C . 52627 1 291 . 1 . 1 121 121 VAL CA C 13 62.794 0.061 . 1 . . 397 . . 121 VAL CA . 52627 1 292 . 1 . 1 121 121 VAL CB C 13 32.523 0.03 . 1 . . 474 . . 121 VAL CB . 52627 1 293 . 1 . 1 121 121 VAL N N 15 122.101 0.087 . 1 . . 184 . . 121 VAL N . 52627 1 294 . 1 . 1 122 122 LEU H H 1 8.201 0.006 . 1 . . 532 . . 122 LEU H . 52627 1 295 . 1 . 1 122 122 LEU C C 13 176.937 0.021 . 1 . . 536 . . 122 LEU C . 52627 1 296 . 1 . 1 122 122 LEU CA C 13 55.441 0.037 . 1 . . 535 . . 122 LEU CA . 52627 1 297 . 1 . 1 122 122 LEU CB C 13 42.546 0.039 . 1 . . 534 . . 122 LEU CB . 52627 1 298 . 1 . 1 122 122 LEU N N 15 125.177 0.056 . 1 . . 533 . . 122 LEU N . 52627 1 299 . 1 . 1 123 123 ASP H H 1 8.324 0.002 . 1 . . 537 . . 123 ASP H . 52627 1 300 . 1 . 1 123 123 ASP C C 13 176.556 0.02 . 1 . . 543 . . 123 ASP C . 52627 1 301 . 1 . 1 123 123 ASP CA C 13 54.060 0.044 . 1 . . 540 . . 123 ASP CA . 52627 1 302 . 1 . 1 123 123 ASP CB C 13 41.030 0.014 . 1 . . 539 . . 123 ASP CB . 52627 1 303 . 1 . 1 123 123 ASP N N 15 121.460 0.023 . 1 . . 538 . . 123 ASP N . 52627 1 304 . 1 . 1 124 124 LEU H H 1 8.293 0.008 . 1 . . 542 . . 124 LEU H . 52627 1 305 . 1 . 1 124 124 LEU C C 13 177.960 0.012 . 1 . . 608 . . 124 LEU C . 52627 1 306 . 1 . 1 124 124 LEU CA C 13 55.488 . . 1 . . 545 . . 124 LEU CA . 52627 1 307 . 1 . 1 124 124 LEU CB C 13 41.880 0.022 . 1 . . 544 . . 124 LEU CB . 52627 1 308 . 1 . 1 124 124 LEU N N 15 123.451 0.02 . 1 . . 541 . . 124 LEU N . 52627 1 309 . 1 . 1 125 125 ARG H H 1 8.285 0.004 . 1 . . 99 . . 125 ARG H . 52627 1 310 . 1 . 1 125 125 ARG C C 13 177.307 0.008 . 1 . . 479 . . 125 ARG C . 52627 1 311 . 1 . 1 125 125 ARG CA C 13 57.027 0.048 . 1 . . 477 . . 125 ARG CA . 52627 1 312 . 1 . 1 125 125 ARG CB C 13 30.504 . . 1 . . 478 . . 125 ARG CB . 52627 1 313 . 1 . 1 125 125 ARG N N 15 120.003 0.033 . 1 . . 100 . . 125 ARG N . 52627 1 314 . 1 . 1 126 126 GLY H H 1 8.339 0.008 . 1 . . 127 . . 126 GLY H . 52627 1 315 . 1 . 1 126 126 GLY C C 13 174.492 0.034 . 1 . . 487 . . 126 GLY C . 52627 1 316 . 1 . 1 126 126 GLY CA C 13 45.563 0.027 . 1 . . 486 . . 126 GLY CA . 52627 1 317 . 1 . 1 126 126 GLY N N 15 108.836 0.08 . 1 . . 128 . . 126 GLY N . 52627 1 318 . 1 . 1 127 127 ILE H H 1 7.973 0.005 . 1 . . 43 . . 127 ILE H . 52627 1 319 . 1 . 1 127 127 ILE C C 13 176.983 0.027 . 1 . . 447 . . 127 ILE C . 52627 1 320 . 1 . 1 127 127 ILE CA C 13 61.562 0.029 . 1 . . 445 . . 127 ILE CA . 52627 1 321 . 1 . 1 127 127 ILE CB C 13 38.624 0.043 . 1 . . 446 . . 127 ILE CB . 52627 1 322 . 1 . 1 127 127 ILE N N 15 119.525 0.024 . 1 . . 44 . . 127 ILE N . 52627 1 323 . 1 . 1 128 128 GLY H H 1 8.566 0.005 . 1 . . 17 . . 128 GLY H . 52627 1 324 . 1 . 1 128 128 GLY C C 13 173.908 0.013 . 1 . . 266 . . 128 GLY C . 52627 1 325 . 1 . 1 128 128 GLY CA C 13 45.354 0.018 . 1 . . 265 . . 128 GLY CA . 52627 1 326 . 1 . 1 128 128 GLY N N 15 112.363 0.019 . 1 . . 18 . . 128 GLY N . 52627 1 327 . 1 . 1 129 129 GLN H H 1 8.151 0.005 . 1 . . 13 . . 129 GLN H . 52627 1 328 . 1 . 1 129 129 GLN C C 13 175.706 0.016 . 1 . . 607 . . 129 GLN C . 52627 1 329 . 1 . 1 129 129 GLN CA C 13 55.704 0.063 . 1 . . 205 . . 129 GLN CA . 52627 1 330 . 1 . 1 129 129 GLN CB C 13 29.725 0.045 . 1 . . 206 . . 129 GLN CB . 52627 1 331 . 1 . 1 129 129 GLN N N 15 119.785 0.066 . 1 . . 14 . . 129 GLN N . 52627 1 332 . 1 . 1 130 130 VAL H H 1 8.268 0.005 . 1 . . 191 . . 130 VAL H . 52627 1 333 . 1 . 1 130 130 VAL C C 13 175.828 0.058 . 1 . . 281 . . 130 VAL C . 52627 1 334 . 1 . 1 130 130 VAL CA C 13 62.257 0.045 . 1 . . 279 . . 130 VAL CA . 52627 1 335 . 1 . 1 130 130 VAL CB C 13 32.820 0.018 . 1 . . 280 . . 130 VAL CB . 52627 1 336 . 1 . 1 130 130 VAL N N 15 122.062 0.13 . 1 . . 192 . . 130 VAL N . 52627 1 337 . 1 . 1 131 131 LEU H H 1 8.446 0.002 . 1 . . 552 . . 131 LEU H . 52627 1 338 . 1 . 1 131 131 LEU C C 13 175.157 . . 1 . . 606 . . 131 LEU C . 52627 1 339 . 1 . 1 131 131 LEU CA C 13 52.904 . . 1 . . 554 . . 131 LEU CA . 52627 1 340 . 1 . 1 131 131 LEU CB C 13 42.050 . . 1 . . 555 . . 131 LEU CB . 52627 1 341 . 1 . 1 131 131 LEU N N 15 127.629 0.002 . 1 . . 553 . . 131 LEU N . 52627 1 342 . 1 . 1 160 160 PHE H H 1 8.101 0.008 . 1 . . 23 . . 160 PHE H . 52627 1 343 . 1 . 1 160 160 PHE C C 13 175.580 0.014 . 1 . . 418 . . 160 PHE C . 52627 1 344 . 1 . 1 160 160 PHE CA C 13 57.635 0.051 . 1 . . 416 . . 160 PHE CA . 52627 1 345 . 1 . 1 160 160 PHE CB C 13 39.398 0.035 . 1 . . 417 . . 160 PHE CB . 52627 1 346 . 1 . 1 160 160 PHE N N 15 119.560 0.041 . 1 . . 24 . . 160 PHE N . 52627 1 347 . 1 . 1 161 161 LEU H H 1 8.066 0.004 . 1 . . 79 . . 161 LEU H . 52627 1 348 . 1 . 1 161 161 LEU C C 13 176.703 0.011 . 1 . . 297 . . 161 LEU C . 52627 1 349 . 1 . 1 161 161 LEU CA C 13 54.963 0.04 . 1 . . 462 . . 161 LEU CA . 52627 1 350 . 1 . 1 161 161 LEU CB C 13 42.572 0.055 . 1 . . 463 . . 161 LEU CB . 52627 1 351 . 1 . 1 161 161 LEU N N 15 122.999 0.053 . 1 . . 80 . . 161 LEU N . 52627 1 352 . 1 . 1 162 162 LYS H H 1 8.256 0.002 . 1 . . 167 . . 162 LYS H . 52627 1 353 . 1 . 1 162 162 LYS C C 13 174.534 0.014 . 1 . . 506 . . 162 LYS C . 52627 1 354 . 1 . 1 162 162 LYS CA C 13 54.306 0.041 . 1 . . 504 . . 162 LYS CA . 52627 1 355 . 1 . 1 162 162 LYS CB C 13 32.488 0.008 . 1 . . 505 . . 162 LYS CB . 52627 1 356 . 1 . 1 162 162 LYS N N 15 123.262 0.004 . 1 . . 168 . . 162 LYS N . 52627 1 357 . 1 . 1 164 164 ASP H H 1 8.500 0.01 . 1 . . 27 . . 164 ASP H . 52627 1 358 . 1 . 1 164 164 ASP C C 13 176.763 0.036 . 1 . . 401 . . 164 ASP C . 52627 1 359 . 1 . 1 164 164 ASP CA C 13 54.335 0.056 . 1 . . 402 . . 164 ASP CA . 52627 1 360 . 1 . 1 164 164 ASP CB C 13 41.064 0.018 . 1 . . 403 . . 164 ASP CB . 52627 1 361 . 1 . 1 164 164 ASP N N 15 120.382 0.101 . 1 . . 28 . . 164 ASP N . 52627 1 362 . 1 . 1 165 165 VAL H H 1 8.117 0.012 . 1 . . 15 . . 165 VAL H . 52627 1 363 . 1 . 1 165 165 VAL C C 13 176.428 0.008 . 1 . . 264 . . 165 VAL C . 52627 1 364 . 1 . 1 165 165 VAL CA C 13 62.736 0.022 . 1 . . 262 . . 165 VAL CA . 52627 1 365 . 1 . 1 165 165 VAL CB C 13 32.448 0.054 . 1 . . 263 . . 165 VAL CB . 52627 1 366 . 1 . 1 165 165 VAL N N 15 121.289 0.072 . 1 . . 16 . . 165 VAL N . 52627 1 367 . 1 . 1 166 166 ARG H H 1 8.422 0.004 . 1 . . 268 . . 166 ARG H . 52627 1 368 . 1 . 1 166 166 ARG C C 13 176.681 0.013 . 1 . . 272 . . 166 ARG C . 52627 1 369 . 1 . 1 166 166 ARG CA C 13 56.630 0.037 . 1 . . 270 . . 166 ARG CA . 52627 1 370 . 1 . 1 166 166 ARG CB C 13 30.586 0.045 . 1 . . 271 . . 166 ARG CB . 52627 1 371 . 1 . 1 166 166 ARG N N 15 123.657 0.07 . 1 . . 269 . . 166 ARG N . 52627 1 372 . 1 . 1 167 167 LEU H H 1 8.223 0.011 . 1 . . 519 . . 167 LEU H . 52627 1 373 . 1 . 1 167 167 LEU C C 13 177.548 0.017 . 1 . . 523 . . 167 LEU C . 52627 1 374 . 1 . 1 167 167 LEU CA C 13 55.296 0.043 . 1 . . 521 . . 167 LEU CA . 52627 1 375 . 1 . 1 167 167 LEU CB C 13 42.374 0.037 . 1 . . 522 . . 167 LEU CB . 52627 1 376 . 1 . 1 167 167 LEU N N 15 122.287 0.11 . 1 . . 520 . . 167 LEU N . 52627 1 377 . 1 . 1 168 168 SER H H 1 8.262 0.004 . 1 . . 61 . . 168 SER H . 52627 1 378 . 1 . 1 168 168 SER C C 13 174.814 0.015 . 1 . . 335 . . 168 SER C . 52627 1 379 . 1 . 1 168 168 SER CA C 13 58.453 0.037 . 1 . . 336 . . 168 SER CA . 52627 1 380 . 1 . 1 168 168 SER CB C 13 63.847 0.039 . 1 . . 337 . . 168 SER CB . 52627 1 381 . 1 . 1 168 168 SER N N 15 116.336 0.026 . 1 . . 62 . . 168 SER N . 52627 1 382 . 1 . 1 169 169 ARG H H 1 8.456 0.002 . 1 . . 514 . . 169 ARG H . 52627 1 383 . 1 . 1 169 169 ARG C C 13 176.858 0.032 . 1 . . 518 . . 169 ARG C . 52627 1 384 . 1 . 1 169 169 ARG CA C 13 56.465 0.044 . 1 . . 516 . . 169 ARG CA . 52627 1 385 . 1 . 1 169 169 ARG CB C 13 30.782 0.075 . 1 . . 517 . . 169 ARG CB . 52627 1 386 . 1 . 1 169 169 ARG N N 15 123.002 0.023 . 1 . . 515 . . 169 ARG N . 52627 1 387 . 1 . 1 170 170 GLY H H 1 8.458 0.004 . 1 . . 19 . . 170 GLY H . 52627 1 388 . 1 . 1 170 170 GLY C C 13 174.142 0.04 . 1 . . 267 . . 170 GLY C . 52627 1 389 . 1 . 1 170 170 GLY CA C 13 45.343 0.02 . 1 . . 195 . . 170 GLY CA . 52627 1 390 . 1 . 1 170 170 GLY N N 15 109.534 0.04 . 1 . . 20 . . 170 GLY N . 52627 1 391 . 1 . 1 171 171 SER H H 1 8.275 0.011 . 1 . . 331 . . 171 SER H . 52627 1 392 . 1 . 1 171 171 SER C C 13 174.873 0.116 . 1 . . 333 . . 171 SER C . 52627 1 393 . 1 . 1 171 171 SER CA C 13 58.516 0.059 . 1 . . 330 . . 171 SER CA . 52627 1 394 . 1 . 1 171 171 SER CB C 13 63.927 0.039 . 1 . . 334 . . 171 SER CB . 52627 1 395 . 1 . 1 171 171 SER N N 15 115.782 0.002 . 1 . . 332 . . 171 SER N . 52627 1 396 . 1 . 1 172 172 ILE H H 1 8.199 0.002 . 1 . . 361 . . 172 ILE H . 52627 1 397 . 1 . 1 172 172 ILE C C 13 175.906 0.023 . 1 . . 363 . . 172 ILE C . 52627 1 398 . 1 . 1 172 172 ILE CA C 13 61.403 0.045 . 1 . . 364 . . 172 ILE CA . 52627 1 399 . 1 . 1 172 172 ILE CB C 13 38.932 0.028 . 1 . . 365 . . 172 ILE CB . 52627 1 400 . 1 . 1 172 172 ILE N N 15 121.765 0.069 . 1 . . 362 . . 172 ILE N . 52627 1 401 . 1 . 1 173 173 ASP H H 1 8.401 0.006 . 1 . . 171 . . 173 ASP H . 52627 1 402 . 1 . 1 173 173 ASP C C 13 176.096 0.01 . 1 . . 326 . . 173 ASP C . 52627 1 403 . 1 . 1 173 173 ASP CA C 13 54.461 0.059 . 1 . . 327 . . 173 ASP CA . 52627 1 404 . 1 . 1 173 173 ASP CB C 13 41.272 0.04 . 1 . . 328 . . 173 ASP CB . 52627 1 405 . 1 . 1 173 173 ASP N N 15 123.817 0.014 . 1 . . 172 . . 173 ASP N . 52627 1 406 . 1 . 1 174 174 ARG H H 1 8.262 0.006 . 1 . . 169 . . 174 ARG H . 52627 1 407 . 1 . 1 174 174 ARG C C 13 176.472 0.037 . 1 . . 380 . . 174 ARG C . 52627 1 408 . 1 . 1 174 174 ARG CA C 13 56.150 0.049 . 1 . . 381 . . 174 ARG CA . 52627 1 409 . 1 . 1 174 174 ARG CB C 13 31.025 0.048 . 1 . . 382 . . 174 ARG CB . 52627 1 410 . 1 . 1 174 174 ARG N N 15 121.173 0.107 . 1 . . 170 . . 174 ARG N . 52627 1 411 . 1 . 1 175 175 GLU H H 1 8.595 0.007 . 1 . . 185 . . 175 GLU H . 52627 1 412 . 1 . 1 175 175 GLU C C 13 176.427 0.006 . 1 . . 510 . . 175 GLU C . 52627 1 413 . 1 . 1 175 175 GLU CA C 13 56.743 0.051 . 1 . . 508 . . 175 GLU CA . 52627 1 414 . 1 . 1 175 175 GLU CB C 13 30.026 0.04 . 1 . . 509 . . 175 GLU CB . 52627 1 415 . 1 . 1 175 175 GLU N N 15 121.933 0.04 . 1 . . 186 . . 175 GLU N . 52627 1 416 . 1 . 1 176 176 ASP H H 1 8.395 0.008 . 1 . . 21 . . 176 ASP H . 52627 1 417 . 1 . 1 176 176 ASP C C 13 177.120 0.011 . 1 . . 415 . . 176 ASP C . 52627 1 418 . 1 . 1 176 176 ASP CA C 13 54.390 0.021 . 1 . . 413 . . 176 ASP CA . 52627 1 419 . 1 . 1 176 176 ASP CB C 13 41.201 0.043 . 1 . . 414 . . 176 ASP CB . 52627 1 420 . 1 . 1 176 176 ASP N N 15 121.148 0.027 . 1 . . 22 . . 176 ASP N . 52627 1 421 . 1 . 1 177 177 GLY H H 1 8.505 0.004 . 1 . . 97 . . 177 GLY H . 52627 1 422 . 1 . 1 177 177 GLY C C 13 174.705 0.015 . 1 . . 384 . . 177 GLY C . 52627 1 423 . 1 . 1 177 177 GLY CA C 13 45.764 0.015 . 1 . . 385 . . 177 GLY CA . 52627 1 424 . 1 . 1 177 177 GLY N N 15 110.228 0.01 . 1 . . 98 . . 177 GLY N . 52627 1 425 . 1 . 1 178 178 SER H H 1 8.309 0.005 . 1 . . 67 . . 178 SER H . 52627 1 426 . 1 . 1 178 178 SER C C 13 174.878 0.011 . 1 . . 605 . . 178 SER C . 52627 1 427 . 1 . 1 178 178 SER CA C 13 58.941 0.055 . 1 . . 454 . . 178 SER CA . 52627 1 428 . 1 . 1 178 178 SER CB C 13 63.913 0.021 . 1 . . 455 . . 178 SER CB . 52627 1 429 . 1 . 1 178 178 SER N N 15 115.961 0.012 . 1 . . 68 . . 178 SER N . 52627 1 430 . 1 . 1 179 179 LEU H H 1 8.289 0.004 . 1 . . 131 . . 179 LEU H . 52627 1 431 . 1 . 1 179 179 LEU C C 13 177.353 0.008 . 1 . . 490 . . 179 LEU C . 52627 1 432 . 1 . 1 179 179 LEU CA C 13 55.407 0.034 . 1 . . 488 . . 179 LEU CA . 52627 1 433 . 1 . 1 179 179 LEU CB C 13 42.167 0.059 . 1 . . 489 . . 179 LEU CB . 52627 1 434 . 1 . 1 179 179 LEU N N 15 123.430 0.02 . 1 . . 132 . . 179 LEU N . 52627 1 435 . 1 . 1 180 180 GLN H H 1 8.326 0.005 . 1 . . 147 . . 180 GLN H . 52627 1 436 . 1 . 1 180 180 GLN C C 13 176.075 0.002 . 1 . . 277 . . 180 GLN C . 52627 1 437 . 1 . 1 180 180 GLN CA C 13 55.778 0.04 . 1 . . 275 . . 180 GLN CA . 52627 1 438 . 1 . 1 180 180 GLN CB C 13 29.842 0.041 . 1 . . 276 . . 180 GLN CB . 52627 1 439 . 1 . 1 180 180 GLN N N 15 120.576 0.041 . 1 . . 148 . . 180 GLN N . 52627 1 440 . 1 . 1 181 181 GLY H H 1 8.248 0.003 . 1 . . 153 . . 181 GLY H . 52627 1 441 . 1 . 1 181 181 GLY C C 13 171.676 . . 1 . . 274 . . 181 GLY C . 52627 1 442 . 1 . 1 181 181 GLY CA C 13 44.611 0.002 . 1 . . 273 . . 181 GLY CA . 52627 1 443 . 1 . 1 181 181 GLY N N 15 110.168 0.037 . 1 . . 154 . . 181 GLY N . 52627 1 444 . 1 . 1 183 183 ILE H H 1 8.344 0.002 . 1 . . 626 . . 183 ILE H . 52627 1 445 . 1 . 1 183 183 ILE C C 13 177.040 . . 1 . . 633 . . 183 ILE C . 52627 1 446 . 1 . 1 183 183 ILE CA C 13 61.458 0.006 . 1 . . 634 . . 183 ILE CA . 52627 1 447 . 1 . 1 183 183 ILE CB C 13 38.700 0.013 . 1 . . 635 . . 183 ILE CB . 52627 1 448 . 1 . 1 183 183 ILE N N 15 121.079 0.005 . 1 . . 627 . . 183 ILE N . 52627 1 449 . 1 . 1 184 184 GLY H H 1 8.497 0.004 . 1 . . 11 . . 184 GLY H . 52627 1 450 . 1 . 1 184 184 GLY C C 13 173.980 0.019 . 1 . . 204 . . 184 GLY C . 52627 1 451 . 1 . 1 184 184 GLY CA C 13 45.374 0.044 . 1 . . 203 . . 184 GLY CA . 52627 1 452 . 1 . 1 184 184 GLY N N 15 112.434 0.018 . 1 . . 12 . . 184 GLY N . 52627 1 453 . 1 . 1 188 188 ILE H H 1 7.935 0.021 . 1 . . 341 . . 188 ILE H . 52627 1 454 . 1 . 1 188 188 ILE C C 13 175.641 . . 1 . . 343 . . 188 ILE C . 52627 1 455 . 1 . 1 188 188 ILE CA C 13 61.029 . . 1 . . 344 . . 188 ILE CA . 52627 1 456 . 1 . 1 188 188 ILE CB C 13 38.751 0.05 . 1 . . 551 . . 188 ILE CB . 52627 1 457 . 1 . 1 188 188 ILE N N 15 121.734 0.047 . 1 . . 342 . . 188 ILE N . 52627 1 458 . 1 . 1 189 189 TYR H H 1 8.348 0.003 . 1 . . 560 . . 189 TYR H . 52627 1 459 . 1 . 1 189 189 TYR C C 13 175.119 0.01 . 1 . . 604 . . 189 TYR C . 52627 1 460 . 1 . 1 189 189 TYR CA C 13 57.825 0.014 . 1 . . 562 . . 189 TYR CA . 52627 1 461 . 1 . 1 189 189 TYR CB C 13 38.819 0.006 . 1 . . 563 . . 189 TYR CB . 52627 1 462 . 1 . 1 189 189 TYR N N 15 124.854 0.01 . 1 . . 561 . . 189 TYR N . 52627 1 463 . 1 . 1 190 190 GLN H H 1 8.196 0.012 . 1 . . 141 . . 190 GLN H . 52627 1 464 . 1 . 1 190 190 GLN C C 13 173.116 0.004 . 1 . . 309 . . 190 GLN C . 52627 1 465 . 1 . 1 190 190 GLN CA C 13 53.035 0.024 . 1 . . 310 . . 190 GLN CA . 52627 1 466 . 1 . 1 190 190 GLN CB C 13 29.445 0.1 . 1 . . 311 . . 190 GLN CB . 52627 1 467 . 1 . 1 190 190 GLN N N 15 124.437 0.067 . 1 . . 142 . . 190 GLN N . 52627 1 468 . 1 . 1 192 192 VAL H H 1 8.283 0.002 . 1 . . 575 . . 192 VAL H . 52627 1 469 . 1 . 1 192 192 VAL C C 13 176.758 0.026 . 1 . . 603 . . 192 VAL C . 52627 1 470 . 1 . 1 192 192 VAL CA C 13 62.488 0.002 . 1 . . 577 . . 192 VAL CA . 52627 1 471 . 1 . 1 192 192 VAL CB C 13 32.876 0.002 . 1 . . 578 . . 192 VAL CB . 52627 1 472 . 1 . 1 192 192 VAL N N 15 120.516 0.002 . 1 . . 576 . . 192 VAL N . 52627 1 473 . 1 . 1 193 193 GLY H H 1 8.496 0.003 . 1 . . 25 . . 193 GLY H . 52627 1 474 . 1 . 1 193 193 GLY C C 13 173.563 0.024 . 1 . . 347 . . 193 GLY C . 52627 1 475 . 1 . 1 193 193 GLY CA C 13 45.089 0.051 . 1 . . 348 . . 193 GLY CA . 52627 1 476 . 1 . 1 193 193 GLY N N 15 112.672 0.009 . 1 . . 26 . . 193 GLY N . 52627 1 477 . 1 . 1 194 194 LYS H H 1 8.231 0.003 . 1 . . 579 . . 194 LYS H . 52627 1 478 . 1 . 1 194 194 LYS C C 13 174.486 . . 1 . . 602 . . 194 LYS C . 52627 1 479 . 1 . 1 194 194 LYS CA C 13 54.010 . . 1 . . 581 . . 194 LYS CA . 52627 1 480 . 1 . 1 194 194 LYS CB C 13 32.784 . . 1 . . 582 . . 194 LYS CB . 52627 1 481 . 1 . 1 194 194 LYS N N 15 122.285 0.002 . 1 . . 580 . . 194 LYS N . 52627 1 482 . 1 . 1 196 196 ASP H H 1 8.549 0.002 . 1 . . 125 . . 196 ASP H . 52627 1 483 . 1 . 1 196 196 ASP C C 13 175.180 0.054 . 1 . . 485 . . 196 ASP C . 52627 1 484 . 1 . 1 196 196 ASP CA C 13 52.175 0.086 . 1 . . 483 . . 196 ASP CA . 52627 1 485 . 1 . 1 196 196 ASP CB C 13 41.175 0.032 . 1 . . 484 . . 196 ASP CB . 52627 1 486 . 1 . 1 196 196 ASP N N 15 122.606 0.044 . 1 . . 126 . . 196 ASP N . 52627 1 487 . 1 . 1 198 198 ALA H H 1 8.402 0.004 . 1 . . 225 . . 198 ALA H . 52627 1 488 . 1 . 1 198 198 ALA C C 13 177.206 0.01 . 1 . . 229 . . 198 ALA C . 52627 1 489 . 1 . 1 198 198 ALA CA C 13 52.075 0.01 . 1 . . 227 . . 198 ALA CA . 52627 1 490 . 1 . 1 198 198 ALA CB C 13 19.192 0.02 . 1 . . 228 . . 198 ALA CB . 52627 1 491 . 1 . 1 198 198 ALA N N 15 122.971 0.046 . 1 . . 226 . . 198 ALA N . 52627 1 492 . 1 . 1 199 199 ALA H H 1 7.993 0.009 . 1 . . 149 . . 199 ALA H . 52627 1 493 . 1 . 1 199 199 ALA C C 13 174.950 0.002 . 1 . . 224 . . 199 ALA C . 52627 1 494 . 1 . 1 199 199 ALA CA C 13 50.451 0.004 . 1 . . 222 . . 199 ALA CA . 52627 1 495 . 1 . 1 199 199 ALA CB C 13 18.241 0.069 . 1 . . 223 . . 199 ALA CB . 52627 1 496 . 1 . 1 199 199 ALA N N 15 124.424 0.003 . 1 . . 150 . . 199 ALA N . 52627 1 497 . 1 . 1 202 202 LYS H H 1 8.442 0.003 . 1 . . 121 . . 202 LYS H . 52627 1 498 . 1 . 1 202 202 LYS C C 13 176.534 0.019 . 1 . . 404 . . 202 LYS C . 52627 1 499 . 1 . 1 202 202 LYS CA C 13 56.214 0.021 . 1 . . 405 . . 202 LYS CA . 52627 1 500 . 1 . 1 202 202 LYS CB C 13 33.213 0.012 . 1 . . 406 . . 202 LYS CB . 52627 1 501 . 1 . 1 202 202 LYS N N 15 122.005 0.054 . 1 . . 122 . . 202 LYS N . 52627 1 502 . 1 . 1 203 203 LYS H H 1 8.418 0.005 . 1 . . 73 . . 203 LYS H . 52627 1 503 . 1 . 1 203 203 LYS C C 13 174.053 . . 1 . . 315 . . 203 LYS C . 52627 1 504 . 1 . 1 203 203 LYS CA C 13 54.104 0.001 . 1 . . 316 . . 203 LYS CA . 52627 1 505 . 1 . 1 203 203 LYS CB C 13 32.633 0.07 . 1 . . 317 . . 203 LYS CB . 52627 1 506 . 1 . 1 203 203 LYS N N 15 124.221 0.011 . 1 . . 74 . . 203 LYS N . 52627 1 507 . 1 . 1 208 208 GLY H H 1 8.505 0.004 . 1 . . 53 . . 208 GLY H . 52627 1 508 . 1 . 1 208 208 GLY C C 13 174.073 0.383 . 1 . . 394 . . 208 GLY C . 52627 1 509 . 1 . 1 208 208 GLY CA C 13 45.230 0.215 . 1 . . 395 . . 208 GLY CA . 52627 1 510 . 1 . 1 208 208 GLY N N 15 109.974 0.03 . 1 . . 54 . . 208 GLY N . 52627 1 511 . 1 . 1 209 209 ALA H H 1 8.144 0.003 . 1 . . 123 . . 209 ALA H . 52627 1 512 . 1 . 1 209 209 ALA C C 13 175.619 0.012 . 1 . . 306 . . 209 ALA C . 52627 1 513 . 1 . 1 209 209 ALA CA C 13 50.594 0.027 . 1 . . 307 . . 209 ALA CA . 52627 1 514 . 1 . 1 209 209 ALA CB C 13 18.378 0.003 . 1 . . 308 . . 209 ALA CB . 52627 1 515 . 1 . 1 209 209 ALA N N 15 124.826 0.013 . 1 . . 124 . . 209 ALA N . 52627 1 516 . 1 . 1 211 211 GLY H H 1 8.531 0.004 . 1 . . 37 . . 211 GLY H . 52627 1 517 . 1 . 1 211 211 GLY C C 13 174.173 0.06 . 1 . . 345 . . 211 GLY C . 52627 1 518 . 1 . 1 211 211 GLY CA C 13 45.296 0.008 . 1 . . 346 . . 211 GLY CA . 52627 1 519 . 1 . 1 211 211 GLY N N 15 109.198 0.015 . 1 . . 38 . . 211 GLY N . 52627 1 520 . 1 . 1 213 213 LEU H H 1 8.314 0.002 . 1 . . 571 . . 213 LEU H . 52627 1 521 . 1 . 1 213 213 LEU C C 13 177.923 . . 1 . . 601 . . 213 LEU C . 52627 1 522 . 1 . 1 213 213 LEU CA C 13 55.489 0.029 . 1 . . 573 . . 213 LEU CA . 52627 1 523 . 1 . 1 213 213 LEU CB C 13 42.114 0.041 . 1 . . 574 . . 213 LEU CB . 52627 1 524 . 1 . 1 213 213 LEU N N 15 123.792 0.005 . 1 . . 572 . . 213 LEU N . 52627 1 525 . 1 . 1 214 214 GLY H H 1 8.405 0.003 . 1 . . 583 . . 214 GLY H . 52627 1 526 . 1 . 1 214 214 GLY C C 13 174.386 0.005 . 1 . . 600 . . 214 GLY C . 52627 1 527 . 1 . 1 214 214 GLY CA C 13 45.357 0.001 . 1 . . 594 . . 214 GLY CA . 52627 1 528 . 1 . 1 214 214 GLY N N 15 109.542 0.01 . 1 . . 584 . . 214 GLY N . 52627 1 529 . 1 . 1 215 215 SER H H 1 8.256 0.01 . 1 . . 101 . . 215 SER H . 52627 1 530 . 1 . 1 215 215 SER C C 13 174.843 0.11 . 1 . . 329 . . 215 SER C . 52627 1 531 . 1 . 1 215 215 SER N N 15 115.780 0.021 . 1 . . 102 . . 215 SER N . 52627 1 532 . 1 . 1 216 216 LEU H H 1 8.355 0.015 . 1 . . 39 . . 216 LEU H . 52627 1 533 . 1 . 1 216 216 LEU C C 13 177.593 0.021 . 1 . . 321 . . 216 LEU C . 52627 1 534 . 1 . 1 216 216 LEU CA C 13 55.535 0.045 . 1 . . 322 . . 216 LEU CA . 52627 1 535 . 1 . 1 216 216 LEU CB C 13 42.127 0.047 . 1 . . 323 . . 216 LEU CB . 52627 1 536 . 1 . 1 216 216 LEU N N 15 124.030 0.043 . 1 . . 40 . . 216 LEU N . 52627 1 537 . 1 . 1 217 217 ALA H H 1 8.261 0.006 . 1 . . 107 . . 217 ALA H . 52627 1 538 . 1 . 1 217 217 ALA C C 13 177.991 0.023 . 1 . . 312 . . 217 ALA C . 52627 1 539 . 1 . 1 217 217 ALA CA C 13 52.999 0.054 . 1 . . 313 . . 217 ALA CA . 52627 1 540 . 1 . 1 217 217 ALA CB C 13 19.147 0.032 . 1 . . 314 . . 217 ALA CB . 52627 1 541 . 1 . 1 217 217 ALA N N 15 124.242 0.025 . 1 . . 108 . . 217 ALA N . 52627 1 542 . 1 . 1 218 218 SER H H 1 8.190 0.004 . 1 . . 33 . . 218 SER H . 52627 1 543 . 1 . 1 218 218 SER C C 13 174.712 0.026 . 1 . . 293 . . 218 SER C . 52627 1 544 . 1 . 1 218 218 SER CA C 13 58.476 0.06 . 1 . . 294 . . 218 SER CA . 52627 1 545 . 1 . 1 218 218 SER CB C 13 63.767 0.034 . 1 . . 295 . . 218 SER CB . 52627 1 546 . 1 . 1 218 218 SER N N 15 114.422 0.005 . 1 . . 34 . . 218 SER N . 52627 1 547 . 1 . 1 219 219 LEU H H 1 8.220 0.005 . 1 . . 41 . . 219 LEU H . 52627 1 548 . 1 . 1 219 219 LEU C C 13 177.485 0.009 . 1 . . 366 . . 219 LEU C . 52627 1 549 . 1 . 1 219 219 LEU CA C 13 55.356 0.012 . 1 . . 367 . . 219 LEU CA . 52627 1 550 . 1 . 1 219 219 LEU CB C 13 42.337 0.02 . 1 . . 368 . . 219 LEU CB . 52627 1 551 . 1 . 1 219 219 LEU N N 15 123.805 0.005 . 1 . . 42 . . 219 LEU N . 52627 1 552 . 1 . 1 220 220 SER H H 1 8.251 0.003 . 1 . . 81 . . 220 SER H . 52627 1 553 . 1 . 1 220 220 SER C C 13 174.130 0.013 . 1 . . 358 . . 220 SER C . 52627 1 554 . 1 . 1 220 220 SER CA C 13 58.318 0.027 . 1 . . 359 . . 220 SER CA . 52627 1 555 . 1 . 1 220 220 SER CB C 13 63.917 0.018 . 1 . . 360 . . 220 SER CB . 52627 1 556 . 1 . 1 220 220 SER N N 15 116.132 0.01 . 1 . . 82 . . 220 SER N . 52627 1 557 . 1 . 1 221 221 SER H H 1 8.364 0.003 . 1 . . 87 . . 221 SER H . 52627 1 558 . 1 . 1 221 221 SER C C 13 176.189 . . 1 . . 599 . . 221 SER C . 52627 1 559 . 1 . 1 221 221 SER CA C 13 56.484 . . 1 . . 443 . . 221 SER CA . 52627 1 560 . 1 . 1 221 221 SER CB C 13 63.605 . . 1 . . 444 . . 221 SER CB . 52627 1 561 . 1 . 1 221 221 SER N N 15 118.893 0.009 . 1 . . 88 . . 221 SER N . 52627 1 562 . 1 . 1 223 223 ALA H H 1 8.390 0.004 . 1 . . 105 . . 223 ALA H . 52627 1 563 . 1 . 1 223 223 ALA C C 13 177.823 0.016 . 1 . . 352 . . 223 ALA C . 52627 1 564 . 1 . 1 223 223 ALA CA C 13 52.864 0.032 . 1 . . 353 . . 223 ALA CA . 52627 1 565 . 1 . 1 223 223 ALA CB C 13 19.130 0.054 . 1 . . 354 . . 223 ALA CB . 52627 1 566 . 1 . 1 223 223 ALA N N 15 123.517 0.013 . 1 . . 106 . . 223 ALA N . 52627 1 567 . 1 . 1 224 224 ASP H H 1 8.236 0.003 . 1 . . 163 . . 224 ASP H . 52627 1 568 . 1 . 1 224 224 ASP C C 13 176.432 0.008 . 1 . . 374 . . 224 ASP C . 52627 1 569 . 1 . 1 224 224 ASP CA C 13 54.577 0.007 . 1 . . 376 . . 224 ASP CA . 52627 1 570 . 1 . 1 224 224 ASP CB C 13 41.186 0.018 . 1 . . 375 . . 224 ASP CB . 52627 1 571 . 1 . 1 224 224 ASP N N 15 119.049 0.005 . 1 . . 164 . . 224 ASP N . 52627 1 572 . 1 . 1 225 225 SER H H 1 8.122 0.003 . 1 . . 161 . . 225 SER H . 52627 1 573 . 1 . 1 225 225 SER C C 13 174.372 0.027 . 1 . . 502 . . 225 SER C . 52627 1 574 . 1 . 1 225 225 SER CA C 13 58.625 0.009 . 1 . . 419 . . 225 SER CA . 52627 1 575 . 1 . 1 225 225 SER CB C 13 63.871 0.051 . 1 . . 420 . . 225 SER CB . 52627 1 576 . 1 . 1 225 225 SER N N 15 115.403 0.011 . 1 . . 162 . . 225 SER N . 52627 1 577 . 1 . 1 226 226 TYR H H 1 8.245 0.004 . 1 . . 421 . . 226 TYR H . 52627 1 578 . 1 . 1 226 226 TYR C C 13 175.727 0.014 . 1 . . 425 . . 226 TYR C . 52627 1 579 . 1 . 1 226 226 TYR CA C 13 58.368 0.029 . 1 . . 423 . . 226 TYR CA . 52627 1 580 . 1 . 1 226 226 TYR CB C 13 38.704 0.045 . 1 . . 424 . . 226 TYR CB . 52627 1 581 . 1 . 1 226 226 TYR N N 15 122.166 0.011 . 1 . . 422 . . 226 TYR N . 52627 1 582 . 1 . 1 227 227 ASN H H 1 8.305 0.011 . 1 . . 51 . . 227 ASN H . 52627 1 583 . 1 . 1 227 227 ASN C C 13 176.812 . . 1 . . 400 . . 227 ASN C . 52627 1 584 . 1 . 1 227 227 ASN CA C 13 53.294 0.031 . 1 . . 426 . . 227 ASN CA . 52627 1 585 . 1 . 1 227 227 ASN CB C 13 39.210 0.022 . 1 . . 427 . . 227 ASN CB . 52627 1 586 . 1 . 1 227 227 ASN N N 15 120.722 0.091 . 1 . . 52 . . 227 ASN N . 52627 1 587 . 1 . 1 228 228 GLU H H 1 8.364 0.005 . 1 . . 187 . . 228 GLU H . 52627 1 588 . 1 . 1 228 228 GLU C C 13 176.968 0.011 . 1 . . 430 . . 228 GLU C . 52627 1 589 . 1 . 1 228 228 GLU CA C 13 57.129 0.015 . 1 . . 428 . . 228 GLU CA . 52627 1 590 . 1 . 1 228 228 GLU CB C 13 30.066 0.048 . 1 . . 429 . . 228 GLU CB . 52627 1 591 . 1 . 1 228 228 GLU N N 15 121.293 0.042 . 1 . . 188 . . 228 GLU N . 52627 1 592 . 1 . 1 229 229 GLY H H 1 8.400 0.005 . 1 . . 35 . . 229 GLY H . 52627 1 593 . 1 . 1 229 229 GLY C C 13 174.167 0.007 . 1 . . 432 . . 229 GLY C . 52627 1 594 . 1 . 1 229 229 GLY CA C 13 45.396 0.02 . 1 . . 431 . . 229 GLY CA . 52627 1 595 . 1 . 1 229 229 GLY N N 15 109.276 0.042 . 1 . . 36 . . 229 GLY N . 52627 1 596 . 1 . 1 230 230 VAL H H 1 7.916 0.004 . 1 . . 83 . . 230 VAL H . 52627 1 597 . 1 . 1 230 230 VAL C C 13 176.113 0.01 . 1 . . 435 . . 230 VAL C . 52627 1 598 . 1 . 1 230 230 VAL CA C 13 62.404 0.014 . 1 . . 433 . . 230 VAL CA . 52627 1 599 . 1 . 1 230 230 VAL CB C 13 32.708 0.016 . 1 . . 434 . . 230 VAL CB . 52627 1 600 . 1 . 1 230 230 VAL N N 15 119.791 0.034 . 1 . . 84 . . 230 VAL N . 52627 1 601 . 1 . 1 231 231 LYS H H 1 8.411 0.002 . 1 . . 7 . . 231 LYS H . 52627 1 602 . 1 . 1 231 231 LYS C C 13 176.321 0.021 . 1 . . 436 . . 231 LYS C . 52627 1 603 . 1 . 1 231 231 LYS CA C 13 56.085 0.033 . 1 . . 199 . . 231 LYS CA . 52627 1 604 . 1 . 1 231 231 LYS CB C 13 32.967 0.047 . 1 . . 200 . . 231 LYS CB . 52627 1 605 . 1 . 1 231 231 LYS N N 15 125.653 0.029 . 1 . . 8 . . 231 LYS N . 52627 1 606 . 1 . 1 232 232 LEU H H 1 8.318 0.003 . 1 . . 175 . . 232 LEU H . 52627 1 607 . 1 . 1 232 232 LEU C C 13 177.085 0.008 . 1 . . 318 . . 232 LEU C . 52627 1 608 . 1 . 1 232 232 LEU CA C 13 54.931 0.028 . 1 . . 319 . . 232 LEU CA . 52627 1 609 . 1 . 1 232 232 LEU CB C 13 42.455 0.023 . 1 . . 320 . . 232 LEU CB . 52627 1 610 . 1 . 1 232 232 LEU N N 15 124.303 0.01 . 1 . . 176 . . 232 LEU N . 52627 1 611 . 1 . 1 233 233 GLN H H 1 8.492 0.002 . 1 . . 437 . . 233 GLN H . 52627 1 612 . 1 . 1 233 233 GLN C C 13 174.071 . . 1 . . 441 . . 233 GLN C . 52627 1 613 . 1 . 1 233 233 GLN CA C 13 53.629 0.004 . 1 . . 439 . . 233 GLN CA . 52627 1 614 . 1 . 1 233 233 GLN CB C 13 28.870 0.009 . 1 . . 440 . . 233 GLN CB . 52627 1 615 . 1 . 1 233 233 GLN N N 15 122.644 0.049 . 1 . . 438 . . 233 GLN N . 52627 1 616 . 1 . 1 235 235 GLN H H 1 8.584 0.003 . 1 . . 29 . . 235 GLN H . 52627 1 617 . 1 . 1 235 235 GLN C C 13 175.986 0.04 . 1 . . 355 . . 235 GLN C . 52627 1 618 . 1 . 1 235 235 GLN CA C 13 55.878 0.037 . 1 . . 356 . . 235 GLN CA . 52627 1 619 . 1 . 1 235 235 GLN CB C 13 29.561 0.042 . 1 . . 357 . . 235 GLN CB . 52627 1 620 . 1 . 1 235 235 GLN N N 15 120.372 0.021 . 1 . . 30 . . 235 GLN N . 52627 1 621 . 1 . 1 236 236 GLU H H 1 8.483 0.013 . 1 . . 137 . . 236 GLU H . 52627 1 622 . 1 . 1 236 236 GLU C C 13 176.485 . . 1 . . 284 . . 236 GLU C . 52627 1 623 . 1 . 1 236 236 GLU CA C 13 56.389 0.027 . 1 . . 282 . . 236 GLU CA . 52627 1 624 . 1 . 1 236 236 GLU CB C 13 30.535 0.112 . 1 . . 283 . . 236 GLU CB . 52627 1 625 . 1 . 1 236 236 GLU N N 15 122.540 0.008 . 1 . . 138 . . 236 GLU N . 52627 1 626 . 1 . 1 237 237 ILE H H 1 8.264 0.016 . 1 . . 409 . . 237 ILE H . 52627 1 627 . 1 . 1 237 237 ILE C C 13 176.168 0.011 . 1 . . 512 . . 237 ILE C . 52627 1 628 . 1 . 1 237 237 ILE CA C 13 60.998 0.018 . 1 . . 411 . . 237 ILE CA . 52627 1 629 . 1 . 1 237 237 ILE CB C 13 38.909 0.014 . 1 . . 412 . . 237 ILE CB . 52627 1 630 . 1 . 1 237 237 ILE N N 15 122.444 0.018 . 1 . . 410 . . 237 ILE N . 52627 1 631 . 1 . 1 238 238 SER H H 1 8.489 0.004 . 1 . . 165 . . 238 SER H . 52627 1 632 . 1 . 1 238 238 SER C C 13 171.985 . . 1 . . 503 . . 238 SER C . 52627 1 633 . 1 . 1 238 238 SER CA C 13 56.384 0.003 . 1 . . 407 . . 238 SER CA . 52627 1 634 . 1 . 1 238 238 SER CB C 13 63.270 0.004 . 1 . . 408 . . 238 SER CB . 52627 1 635 . 1 . 1 238 238 SER N N 15 121.941 0.016 . 1 . . 166 . . 238 SER N . 52627 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52627 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name Helix_KFL_Fak1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 9 '2D 1H-15N HSQC/HMQC' . . . 52627 2 10 '108 (H[N[ca[CO]]])' . . . 52627 2 11 '3D HNCO' . . . 52627 2 12 '3D HNCACB' . . . 52627 2 13 '106 (H[N[co[{CA|ca[C]}]]])' . . . 52627 2 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 . . 52627 2 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 . 2 . 2 5 5 THR C C 13 179.605 . . 1 . . 201 . . 5 THR C . 52627 2 2 . 2 . 2 5 5 THR CA C 13 62.098 . . 1 . . 202 . . 5 THR CA . 52627 2 3 . 2 . 2 5 5 THR CB C 13 69.925 . . 1 . . 203 . . 5 THR CB . 52627 2 4 . 2 . 2 6 6 VAL H H 1 8.216 0.003 . 1 . . 41 . . 6 VAL H . 52627 2 5 . 2 . 2 6 6 VAL HA H 1 4.095 . . 1 . . 244 . . 6 VAL HA . 52627 2 6 . 2 . 2 6 6 VAL C C 13 176.106 . . 1 . . 100 . . 6 VAL C . 52627 2 7 . 2 . 2 6 6 VAL CA C 13 62.627 0.053 . 1 . . 101 . . 6 VAL CA . 52627 2 8 . 2 . 2 6 6 VAL CB C 13 32.642 0.036 . 1 . . 102 . . 6 VAL CB . 52627 2 9 . 2 . 2 6 6 VAL N N 15 122.815 0.012 . 1 . . 42 . . 6 VAL N . 52627 2 10 . 2 . 2 7 7 LEU H H 1 8.269 0.006 . 1 . . 7 . . 7 LEU H . 52627 2 11 . 2 . 2 7 7 LEU HA H 1 4.315 . . 1 . . 243 . . 7 LEU HA . 52627 2 12 . 2 . 2 7 7 LEU C C 13 176.878 . . 1 . . 81 . . 7 LEU C . 52627 2 13 . 2 . 2 7 7 LEU CA C 13 55.167 0.065 . 1 . . 83 . . 7 LEU CA . 52627 2 14 . 2 . 2 7 7 LEU CB C 13 41.588 0.0 . 1 . . 82 . . 7 LEU CB . 52627 2 15 . 2 . 2 7 7 LEU N N 15 125.698 0.02 . 1 . . 8 . . 7 LEU N . 52627 2 16 . 2 . 2 8 8 ASP H H 1 8.301 0.002 . 1 . . 65 . . 8 ASP H . 52627 2 17 . 2 . 2 8 8 ASP HA H 1 4.625 . . 1 . . 242 . . 8 ASP HA . 52627 2 18 . 2 . 2 8 8 ASP C C 13 176.472 0.0 . 1 . . 97 . . 8 ASP C . 52627 2 19 . 2 . 2 8 8 ASP CA C 13 53.997 . . 1 . . 98 . . 8 ASP CA . 52627 2 20 . 2 . 2 8 8 ASP CB C 13 41.109 0.037 . 1 . . 99 . . 8 ASP CB . 52627 2 21 . 2 . 2 8 8 ASP N N 15 121.823 0.006 . 1 . . 66 . . 8 ASP N . 52627 2 22 . 2 . 2 9 9 LEU H H 1 8.302 0.004 . 1 . . 39 . . 9 LEU H . 52627 2 23 . 2 . 2 9 9 LEU HA H 1 4.300 . . 1 . . 241 . . 9 LEU HA . 52627 2 24 . 2 . 2 9 9 LEU C C 13 177.951 0.004 . 1 . . 94 . . 9 LEU C . 52627 2 25 . 2 . 2 9 9 LEU CA C 13 55.373 0.014 . 1 . . 95 . . 9 LEU CA . 52627 2 26 . 2 . 2 9 9 LEU CB C 13 40.946 0.069 . 1 . . 96 . . 9 LEU CB . 52627 2 27 . 2 . 2 9 9 LEU N N 15 123.558 0.012 . 1 . . 40 . . 9 LEU N . 52627 2 28 . 2 . 2 10 10 ARG H H 1 8.295 0.002 . 1 . . 49 . . 10 ARG H . 52627 2 29 . 2 . 2 10 10 ARG HA H 1 4.263 . . 1 . . 240 . . 10 ARG HA . 52627 2 30 . 2 . 2 10 10 ARG C C 13 177.286 0.003 . 1 . . 75 . . 10 ARG C . 52627 2 31 . 2 . 2 10 10 ARG CA C 13 56.900 0.018 . 1 . . 76 . . 10 ARG CA . 52627 2 32 . 2 . 2 10 10 ARG CB C 13 30.567 0.041 . 1 . . 77 . . 10 ARG CB . 52627 2 33 . 2 . 2 10 10 ARG N N 15 120.222 0.01 . 1 . . 50 . . 10 ARG N . 52627 2 34 . 2 . 2 11 11 GLY H H 1 8.335 0.003 . 1 . . 59 . . 11 GLY H . 52627 2 35 . 2 . 2 11 11 GLY HA2 H 1 3.947 . . 1 . . 239 . . 11 GLY HA2 . 52627 2 36 . 2 . 2 11 11 GLY C C 13 179.460 . . 1 . . 92 . . 11 GLY C . 52627 2 37 . 2 . 2 11 11 GLY CA C 13 45.523 0.016 . 1 . . 93 . . 11 GLY CA . 52627 2 38 . 2 . 2 11 11 GLY N N 15 109.019 0.014 . 1 . . 60 . . 11 GLY N . 52627 2 39 . 2 . 2 12 12 ILE H H 1 7.979 0.003 . 1 . . 11 . . 12 ILE H . 52627 2 40 . 2 . 2 12 12 ILE HA H 1 4.191 . . 1 . . 238 . . 12 ILE HA . 52627 2 41 . 2 . 2 12 12 ILE C C 13 177.046 . . 1 . . 87 . . 12 ILE C . 52627 2 42 . 2 . 2 12 12 ILE CA C 13 61.533 0.011 . 1 . . 88 . . 12 ILE CA . 52627 2 43 . 2 . 2 12 12 ILE CB C 13 38.564 0.019 . 1 . . 89 . . 12 ILE CB . 52627 2 44 . 2 . 2 12 12 ILE N N 15 119.659 0.007 . 1 . . 12 . . 12 ILE N . 52627 2 45 . 2 . 2 13 13 GLY H H 1 8.566 0.003 . 1 . . 37 . . 13 GLY H . 52627 2 46 . 2 . 2 13 13 GLY HA2 H 1 3.949 . . 1 . . 237 . . 13 GLY HA2 . 52627 2 47 . 2 . 2 13 13 GLY C C 13 178.948 0.007 . 1 . . 90 . . 13 GLY C . 52627 2 48 . 2 . 2 13 13 GLY CA C 13 45.366 0.002 . 1 . . 91 . . 13 GLY CA . 52627 2 49 . 2 . 2 13 13 GLY N N 15 112.543 0.012 . 1 . . 38 . . 13 GLY N . 52627 2 50 . 2 . 2 14 14 GLN H H 1 8.138 0.003 . 1 . . 17 . . 14 GLN H . 52627 2 51 . 2 . 2 14 14 GLN HA H 1 4.371 . . 1 . . 236 . . 14 GLN HA . 52627 2 52 . 2 . 2 14 14 GLN C C 13 175.725 0.008 . 1 . . 108 . . 14 GLN C . 52627 2 53 . 2 . 2 14 14 GLN CA C 13 55.648 0.028 . 1 . . 106 . . 14 GLN CA . 52627 2 54 . 2 . 2 14 14 GLN CB C 13 29.755 0.022 . 1 . . 107 . . 14 GLN CB . 52627 2 55 . 2 . 2 14 14 GLN N N 15 119.892 0.023 . 1 . . 18 . . 14 GLN N . 52627 2 56 . 2 . 2 15 15 VAL H H 1 8.269 0.002 . 1 . . 53 . . 15 VAL H . 52627 2 57 . 2 . 2 15 15 VAL HA H 1 4.112 . . 1 . . 235 . . 15 VAL HA . 52627 2 58 . 2 . 2 15 15 VAL C C 13 175.937 0.001 . 1 . . 109 . . 15 VAL C . 52627 2 59 . 2 . 2 15 15 VAL CA C 13 62.244 0.021 . 1 . . 111 . . 15 VAL CA . 52627 2 60 . 2 . 2 15 15 VAL CB C 13 32.758 0.023 . 1 . . 110 . . 15 VAL CB . 52627 2 61 . 2 . 2 15 15 VAL N N 15 122.256 0.016 . 1 . . 54 . . 15 VAL N . 52627 2 62 . 2 . 2 16 16 LEU H H 1 8.446 0.004 . 1 . . 43 . . 16 LEU H . 52627 2 63 . 2 . 2 16 16 LEU HA H 1 4.635 . . 1 . . 234 . . 16 LEU HA . 52627 2 64 . 2 . 2 16 16 LEU C C 13 175.211 . . 1 . . 112 . . 16 LEU C . 52627 2 65 . 2 . 2 16 16 LEU CA C 13 52.772 . . 1 . . 113 . . 16 LEU CA . 52627 2 66 . 2 . 2 16 16 LEU CB C 13 41.142 . . 1 . . 114 . . 16 LEU CB . 52627 2 67 . 2 . 2 16 16 LEU N N 15 127.827 0.009 . 1 . . 44 . . 16 LEU N . 52627 2 68 . 2 . 2 17 17 PRO C C 13 177.522 . . 1 . . 199 . . 17 PRO C . 52627 2 69 . 2 . 2 17 17 PRO CA C 13 63.087 . . 1 . . 204 . . 17 PRO CA . 52627 2 70 . 2 . 2 17 17 PRO CB C 13 32.186 . . 1 . . 205 . . 17 PRO CB . 52627 2 71 . 2 . 2 18 18 THR H H 1 8.261 0.003 . 1 . . 5 . . 18 THR H . 52627 2 72 . 2 . 2 18 18 THR C C 13 175.242 . . 1 . . 173 . . 18 THR C . 52627 2 73 . 2 . 2 18 18 THR CA C 13 63.304 . . 1 . . 171 . . 18 THR CA . 52627 2 74 . 2 . 2 18 18 THR CB C 13 69.549 . . 1 . . 172 . . 18 THR CB . 52627 2 75 . 2 . 2 18 18 THR N N 15 114.397 0.013 . 1 . . 6 . . 18 THR N . 52627 2 76 . 2 . 2 19 19 HIS C C 13 175.877 . . 1 . . 200 . . 19 HIS C . 52627 2 77 . 2 . 2 19 19 HIS CA C 13 57.320 . . 1 . . 207 . . 19 HIS CA . 52627 2 78 . 2 . 2 19 19 HIS CB C 13 30.320 . . 1 . . 206 . . 19 HIS CB . 52627 2 79 . 2 . 2 20 20 LEU H H 1 7.746 0.005 . 1 . . 63 . . 20 LEU H . 52627 2 80 . 2 . 2 20 20 LEU C C 13 177.845 0.003 . 1 . . 177 . . 20 LEU C . 52627 2 81 . 2 . 2 20 20 LEU CA C 13 55.509 0.002 . 1 . . 160 . . 20 LEU CA . 52627 2 82 . 2 . 2 20 20 LEU CB C 13 41.112 0.011 . 1 . . 161 . . 20 LEU CB . 52627 2 83 . 2 . 2 20 20 LEU N N 15 121.916 0.003 . 1 . . 64 . . 20 LEU N . 52627 2 84 . 2 . 2 21 21 MET H H 1 8.137 0.002 . 1 . . 21 . . 21 MET H . 52627 2 85 . 2 . 2 21 21 MET C C 13 176.949 0.002 . 1 . . 118 . . 21 MET C . 52627 2 86 . 2 . 2 21 21 MET CA C 13 56.523 0.006 . 1 . . 119 . . 21 MET CA . 52627 2 87 . 2 . 2 21 21 MET CB C 13 32.662 0.009 . 1 . . 120 . . 21 MET CB . 52627 2 88 . 2 . 2 21 21 MET N N 15 120.491 0.006 . 1 . . 22 . . 21 MET N . 52627 2 89 . 2 . 2 22 22 GLU H H 1 8.368 0.002 . 1 . . 55 . . 22 GLU H . 52627 2 90 . 2 . 2 22 22 GLU HA H 1 4.200 . . 1 . . 233 . . 22 GLU HA . 52627 2 91 . 2 . 2 22 22 GLU C C 13 177.420 0.002 . 1 . . 153 . . 22 GLU C . 52627 2 92 . 2 . 2 22 22 GLU CA C 13 57.807 0.017 . 1 . . 151 . . 22 GLU CA . 52627 2 93 . 2 . 2 22 22 GLU CB C 13 30.073 0.001 . 1 . . 152 . . 22 GLU CB . 52627 2 94 . 2 . 2 22 22 GLU N N 15 121.109 0.014 . 1 . . 56 . . 22 GLU N . 52627 2 95 . 2 . 2 23 23 GLU H H 1 8.355 0.003 . 1 . . 67 . . 23 GLU H . 52627 2 96 . 2 . 2 23 23 GLU HA H 1 4.181 . . 1 . . 232 . . 23 GLU HA . 52627 2 97 . 2 . 2 23 23 GLU C C 13 177.523 0.006 . 1 . . 162 . . 23 GLU C . 52627 2 98 . 2 . 2 23 23 GLU CA C 13 58.074 0.004 . 1 . . 163 . . 23 GLU CA . 52627 2 99 . 2 . 2 23 23 GLU CB C 13 29.942 0.047 . 1 . . 164 . . 23 GLU CB . 52627 2 100 . 2 . 2 23 23 GLU N N 15 121.332 0.004 . 1 . . 68 . . 23 GLU N . 52627 2 101 . 2 . 2 24 24 ARG H H 1 8.226 0.005 . 1 . . 73 . . 24 ARG H . 52627 2 102 . 2 . 2 24 24 ARG HA H 1 4.198 . . 1 . . 231 . . 24 ARG HA . 52627 2 103 . 2 . 2 24 24 ARG C C 13 177.149 0.004 . 1 . . 174 . . 24 ARG C . 52627 2 104 . 2 . 2 24 24 ARG CA C 13 57.517 0.008 . 1 . . 175 . . 24 ARG CA . 52627 2 105 . 2 . 2 24 24 ARG CB C 13 30.324 0.016 . 1 . . 176 . . 24 ARG CB . 52627 2 106 . 2 . 2 24 24 ARG N N 15 120.407 0.002 . 1 . . 74 . . 24 ARG N . 52627 2 107 . 2 . 2 25 25 LEU H H 1 8.034 0.003 . 1 . . 71 . . 25 LEU H . 52627 2 108 . 2 . 2 25 25 LEU HA H 1 4.263 . . 1 . . 230 . . 25 LEU HA . 52627 2 109 . 2 . 2 25 25 LEU C C 13 178.336 0.003 . 1 . . 170 . . 25 LEU C . 52627 2 110 . 2 . 2 25 25 LEU CA C 13 56.250 0.017 . 1 . . 168 . . 25 LEU CA . 52627 2 111 . 2 . 2 25 25 LEU CB C 13 41.067 0.004 . 1 . . 169 . . 25 LEU CB . 52627 2 112 . 2 . 2 25 25 LEU N N 15 121.571 0.01 . 1 . . 72 . . 25 LEU N . 52627 2 113 . 2 . 2 26 26 ILE H H 1 7.999 0.002 . 1 . . 15 . . 26 ILE H . 52627 2 114 . 2 . 2 26 26 ILE HA H 1 4.014 . . 1 . . 229 . . 26 ILE HA . 52627 2 115 . 2 . 2 26 26 ILE C C 13 177.328 0.016 . 1 . . 103 . . 26 ILE C . 52627 2 116 . 2 . 2 26 26 ILE CA C 13 62.554 0.057 . 1 . . 104 . . 26 ILE CA . 52627 2 117 . 2 . 2 26 26 ILE CB C 13 38.261 0.015 . 1 . . 105 . . 26 ILE CB . 52627 2 118 . 2 . 2 26 26 ILE N N 15 121.343 0.011 . 1 . . 16 . . 26 ILE N . 52627 2 119 . 2 . 2 27 27 ARG H H 1 8.209 0.003 . 1 . . 9 . . 27 ARG H . 52627 2 120 . 2 . 2 27 27 ARG HA H 1 4.097 . . 1 . . 228 . . 27 ARG HA . 52627 2 121 . 2 . 2 27 27 ARG C C 13 177.244 . . 1 . . 84 . . 27 ARG C . 52627 2 122 . 2 . 2 27 27 ARG CA C 13 57.316 . . 1 . . 85 . . 27 ARG CA . 52627 2 123 . 2 . 2 27 27 ARG CB C 13 30.421 . . 1 . . 86 . . 27 ARG CB . 52627 2 124 . 2 . 2 27 27 ARG N N 15 123.020 0.016 . 1 . . 10 . . 27 ARG N . 52627 2 125 . 2 . 2 28 28 GLN C C 13 176.981 . . 1 . . 197 . . 28 GLN C . 52627 2 126 . 2 . 2 28 28 GLN CA C 13 57.216 . . 1 . . 208 . . 28 GLN CA . 52627 2 127 . 2 . 2 28 28 GLN CB C 13 29.083 . . 1 . . 209 . . 28 GLN CB . 52627 2 128 . 2 . 2 29 29 GLN H H 1 8.308 0.005 . 1 . . 23 . . 29 GLN H . 52627 2 129 . 2 . 2 29 29 GLN HA H 1 4.250 . . 1 . . 227 . . 29 GLN HA . 52627 2 130 . 2 . 2 29 29 GLN C C 13 177.254 0.008 . 1 . . 121 . . 29 GLN C . 52627 2 131 . 2 . 2 29 29 GLN CA C 13 57.188 0.003 . 1 . . 182 . . 29 GLN CA . 52627 2 132 . 2 . 2 29 29 GLN CB C 13 28.910 0.001 . 1 . . 122 . . 29 GLN CB . 52627 2 133 . 2 . 2 29 29 GLN N N 15 120.557 0.007 . 1 . . 24 . . 29 GLN N . 52627 2 134 . 2 . 2 30 30 GLN H H 1 8.342 0.002 . 1 . . 31 . . 30 GLN H . 52627 2 135 . 2 . 2 30 30 GLN HA H 1 4.246 . . 1 . . 226 . . 30 GLN HA . 52627 2 136 . 2 . 2 30 30 GLN C C 13 176.891 0.008 . 1 . . 180 . . 30 GLN C . 52627 2 137 . 2 . 2 30 30 GLN CA C 13 57.045 0.081 . 1 . . 178 . . 30 GLN CA . 52627 2 138 . 2 . 2 30 30 GLN CB C 13 29.083 0.031 . 1 . . 179 . . 30 GLN CB . 52627 2 139 . 2 . 2 30 30 GLN N N 15 120.390 0.009 . 1 . . 32 . . 30 GLN N . 52627 2 140 . 2 . 2 31 31 GLU H H 1 8.380 0.003 . 1 . . 69 . . 31 GLU H . 52627 2 141 . 2 . 2 31 31 GLU HA H 1 4.214 . . 1 . . 225 . . 31 GLU HA . 52627 2 142 . 2 . 2 31 31 GLU C C 13 177.153 0.009 . 1 . . 167 . . 31 GLU C . 52627 2 143 . 2 . 2 31 31 GLU CA C 13 57.456 0.004 . 1 . . 165 . . 31 GLU CA . 52627 2 144 . 2 . 2 31 31 GLU CB C 13 29.932 0.034 . 1 . . 166 . . 31 GLU CB . 52627 2 145 . 2 . 2 31 31 GLU N N 15 120.938 0.008 . 1 . . 70 . . 31 GLU N . 52627 2 146 . 2 . 2 32 32 MET H H 1 8.221 0.004 . 1 . . 35 . . 32 MET H . 52627 2 147 . 2 . 2 32 32 MET HA H 1 4.424 . . 1 . . 224 . . 32 MET HA . 52627 2 148 . 2 . 2 32 32 MET C C 13 176.839 0.008 . 1 . . 139 . . 32 MET C . 52627 2 149 . 2 . 2 32 32 MET CA C 13 56.246 0.013 . 1 . . 140 . . 32 MET CA . 52627 2 150 . 2 . 2 32 32 MET CB C 13 33.044 0.06 . 1 . . 141 . . 32 MET CB . 52627 2 151 . 2 . 2 32 32 MET N N 15 120.107 0.006 . 1 . . 36 . . 32 MET N . 52627 2 152 . 2 . 2 33 33 GLU H H 1 8.330 0.003 . 1 . . 57 . . 33 GLU H . 52627 2 153 . 2 . 2 33 33 GLU HA H 1 4.224 . . 1 . . 223 . . 33 GLU HA . 52627 2 154 . 2 . 2 33 33 GLU C C 13 177.281 0.002 . 1 . . 156 . . 33 GLU C . 52627 2 155 . 2 . 2 33 33 GLU CA C 13 57.274 0.018 . 1 . . 154 . . 33 GLU CA . 52627 2 156 . 2 . 2 33 33 GLU CB C 13 30.151 0.022 . 1 . . 155 . . 33 GLU CB . 52627 2 157 . 2 . 2 33 33 GLU N N 15 121.458 0.027 . 1 . . 58 . . 33 GLU N . 52627 2 158 . 2 . 2 34 34 GLU H H 1 8.418 0.003 . 1 . . 45 . . 34 GLU H . 52627 2 159 . 2 . 2 34 34 GLU HA H 1 4.188 . . 1 . . 222 . . 34 GLU HA . 52627 2 160 . 2 . 2 34 34 GLU C C 13 176.852 0.008 . 1 . . 142 . . 34 GLU C . 52627 2 161 . 2 . 2 34 34 GLU CA C 13 57.425 0.009 . 1 . . 143 . . 34 GLU CA . 52627 2 162 . 2 . 2 34 34 GLU CB C 13 30.169 0.013 . 1 . . 144 . . 34 GLU CB . 52627 2 163 . 2 . 2 34 34 GLU N N 15 121.395 0.03 . 1 . . 46 . . 34 GLU N . 52627 2 164 . 2 . 2 35 35 ASP H H 1 8.344 0.002 . 1 . . 3 . . 35 ASP H . 52627 2 165 . 2 . 2 35 35 ASP HA H 1 4.556 . . 1 . . 221 . . 35 ASP HA . 52627 2 166 . 2 . 2 35 35 ASP C C 13 176.976 0.007 . 1 . . 78 . . 35 ASP C . 52627 2 167 . 2 . 2 35 35 ASP CA C 13 55.071 0.014 . 1 . . 79 . . 35 ASP CA . 52627 2 168 . 2 . 2 35 35 ASP CB C 13 41.147 0.003 . 1 . . 80 . . 35 ASP CB . 52627 2 169 . 2 . 2 35 35 ASP N N 15 120.783 0.007 . 1 . . 4 . . 35 ASP N . 52627 2 170 . 2 . 2 36 36 GLN H H 1 8.291 0.002 . 1 . . 183 . . 36 GLN H . 52627 2 171 . 2 . 2 36 36 GLN HA H 1 4.214 . . 1 . . 220 . . 36 GLN HA . 52627 2 172 . 2 . 2 36 36 GLN C C 13 176.750 0.002 . 1 . . 187 . . 36 GLN C . 52627 2 173 . 2 . 2 36 36 GLN CA C 13 56.494 0.024 . 1 . . 185 . . 36 GLN CA . 52627 2 174 . 2 . 2 36 36 GLN CB C 13 28.871 0.026 . 1 . . 186 . . 36 GLN CB . 52627 2 175 . 2 . 2 36 36 GLN N N 15 120.500 0.005 . 1 . . 184 . . 36 GLN N . 52627 2 176 . 2 . 2 37 37 ARG H H 1 8.175 0.004 . 1 . . 13 . . 37 ARG H . 52627 2 177 . 2 . 2 37 37 ARG HA H 1 4.156 . . 1 . . 219 . . 37 ARG HA . 52627 2 178 . 2 . 2 37 37 ARG C C 13 176.944 0.002 . 1 . . 188 . . 37 ARG C . 52627 2 179 . 2 . 2 37 37 ARG CA C 13 57.370 0.018 . 1 . . 190 . . 37 ARG CA . 52627 2 180 . 2 . 2 37 37 ARG CB C 13 30.289 0.026 . 1 . . 189 . . 37 ARG CB . 52627 2 181 . 2 . 2 37 37 ARG N N 15 120.622 0.021 . 1 . . 14 . . 37 ARG N . 52627 2 182 . 2 . 2 38 38 TRP H H 1 8.004 0.003 . 1 . . 61 . . 38 TRP H . 52627 2 183 . 2 . 2 38 38 TRP HA H 1 4.639 . . 1 . . 218 . . 38 TRP HA . 52627 2 184 . 2 . 2 38 38 TRP HE1 H 1 10.202 . . 1 . . 245 . . 38 TRP HE1 . 52627 2 185 . 2 . 2 38 38 TRP C C 13 176.568 0.003 . 1 . . 159 . . 38 TRP C . 52627 2 186 . 2 . 2 38 38 TRP CA C 13 57.651 0.026 . 1 . . 158 . . 38 TRP CA . 52627 2 187 . 2 . 2 38 38 TRP CB C 13 29.139 0.001 . 1 . . 157 . . 38 TRP CB . 52627 2 188 . 2 . 2 38 38 TRP N N 15 120.337 0.003 . 1 . . 62 . . 38 TRP N . 52627 2 189 . 2 . 2 38 38 TRP NE1 N 15 129.484 . . 1 . . 246 . . 38 TRP NE1 . 52627 2 190 . 2 . 2 39 39 LEU H H 1 7.815 0.004 . 1 . . 47 . . 39 LEU H . 52627 2 191 . 2 . 2 39 39 LEU HA H 1 4.167 . . 1 . . 217 . . 39 LEU HA . 52627 2 192 . 2 . 2 39 39 LEU C C 13 177.614 0.003 . 1 . . 145 . . 39 LEU C . 52627 2 193 . 2 . 2 39 39 LEU CA C 13 55.548 0.006 . 1 . . 146 . . 39 LEU CA . 52627 2 194 . 2 . 2 39 39 LEU CB C 13 41.380 0.028 . 1 . . 147 . . 39 LEU CB . 52627 2 195 . 2 . 2 39 39 LEU N N 15 122.433 0.009 . 1 . . 48 . . 39 LEU N . 52627 2 196 . 2 . 2 40 40 GLU H H 1 8.158 0.002 . 1 . . 25 . . 40 GLU H . 52627 2 197 . 2 . 2 40 40 GLU C C 13 176.867 0.0 . 1 . . 123 . . 40 GLU C . 52627 2 198 . 2 . 2 40 40 GLU CA C 13 57.028 0.02 . 1 . . 124 . . 40 GLU CA . 52627 2 199 . 2 . 2 40 40 GLU CB C 13 30.003 0.03 . 1 . . 125 . . 40 GLU CB . 52627 2 200 . 2 . 2 40 40 GLU N N 15 120.480 0.01 . 1 . . 26 . . 40 GLU N . 52627 2 201 . 2 . 2 41 41 LYS H H 1 8.140 0.002 . 1 . . 51 . . 41 LYS H . 52627 2 202 . 2 . 2 41 41 LYS HA H 1 4.249 . . 1 . . 216 . . 41 LYS HA . 52627 2 203 . 2 . 2 41 41 LYS C C 13 176.819 0.003 . 1 . . 150 . . 41 LYS C . 52627 2 204 . 2 . 2 41 41 LYS CA C 13 56.833 0.013 . 1 . . 149 . . 41 LYS CA . 52627 2 205 . 2 . 2 41 41 LYS CB C 13 33.018 0.008 . 1 . . 148 . . 41 LYS CB . 52627 2 206 . 2 . 2 41 41 LYS N N 15 121.116 0.008 . 1 . . 52 . . 41 LYS N . 52627 2 207 . 2 . 2 42 42 GLU H H 1 8.311 0.003 . 1 . . 29 . . 42 GLU H . 52627 2 208 . 2 . 2 42 42 GLU HA H 1 4.233 . . 1 . . 215 . . 42 GLU HA . 52627 2 209 . 2 . 2 42 42 GLU C C 13 176.697 0.005 . 1 . . 136 . . 42 GLU C . 52627 2 210 . 2 . 2 42 42 GLU CA C 13 56.886 0.004 . 1 . . 137 . . 42 GLU CA . 52627 2 211 . 2 . 2 42 42 GLU CB C 13 30.259 0.033 . 1 . . 138 . . 42 GLU CB . 52627 2 212 . 2 . 2 42 42 GLU N N 15 121.199 0.004 . 1 . . 30 . . 42 GLU N . 52627 2 213 . 2 . 2 43 43 GLU H H 1 8.406 0.002 . 1 . . 19 . . 43 GLU H . 52627 2 214 . 2 . 2 43 43 GLU HA H 1 4.167 . . 1 . . 214 . . 43 GLU HA . 52627 2 215 . 2 . 2 43 43 GLU C C 13 176.487 0.006 . 1 . . 115 . . 43 GLU C . 52627 2 216 . 2 . 2 43 43 GLU CA C 13 56.963 0.02 . 1 . . 116 . . 43 GLU CA . 52627 2 217 . 2 . 2 43 43 GLU CB C 13 30.065 0.061 . 1 . . 117 . . 43 GLU CB . 52627 2 218 . 2 . 2 43 43 GLU N N 15 121.888 0.01 . 1 . . 20 . . 43 GLU N . 52627 2 219 . 2 . 2 44 44 ARG H H 1 8.143 0.004 . 1 . . 192 . . 44 ARG H . 52627 2 220 . 2 . 2 44 44 ARG HA H 1 4.241 . . 1 . . 213 . . 44 ARG HA . 52627 2 221 . 2 . 2 44 44 ARG C C 13 175.878 0.011 . 1 . . 194 . . 44 ARG C . 52627 2 222 . 2 . 2 44 44 ARG CA C 13 56.314 0.021 . 1 . . 196 . . 44 ARG CA . 52627 2 223 . 2 . 2 44 44 ARG CB C 13 30.686 0.018 . 1 . . 195 . . 44 ARG CB . 52627 2 224 . 2 . 2 44 44 ARG N N 15 120.909 0.0 . 1 . . 193 . . 44 ARG N . 52627 2 225 . 2 . 2 45 45 PHE H H 1 8.181 0.003 . 1 . . 1 . . 45 PHE H . 52627 2 226 . 2 . 2 45 45 PHE HA H 1 4.661 . . 1 . . 212 . . 45 PHE HA . 52627 2 227 . 2 . 2 45 45 PHE C C 13 175.573 0.004 . 1 . . 133 . . 45 PHE C . 52627 2 228 . 2 . 2 45 45 PHE CA C 13 57.540 0.022 . 1 . . 135 . . 45 PHE CA . 52627 2 229 . 2 . 2 45 45 PHE CB C 13 38.671 0.037 . 1 . . 134 . . 45 PHE CB . 52627 2 230 . 2 . 2 45 45 PHE N N 15 120.293 0.006 . 1 . . 2 . . 45 PHE N . 52627 2 231 . 2 . 2 46 46 LEU H H 1 8.140 0.002 . 1 . . 33 . . 46 LEU H . 52627 2 232 . 2 . 2 46 46 LEU HA H 1 4.336 . . 1 . . 211 . . 46 LEU HA . 52627 2 233 . 2 . 2 46 46 LEU C C 13 176.128 0.005 . 1 . . 130 . . 46 LEU C . 52627 2 234 . 2 . 2 46 46 LEU CA C 13 55.126 0.049 . 1 . . 131 . . 46 LEU CA . 52627 2 235 . 2 . 2 46 46 LEU CB C 13 41.461 0.024 . 1 . . 132 . . 46 LEU CB . 52627 2 236 . 2 . 2 46 46 LEU N N 15 123.746 0.009 . 1 . . 34 . . 46 LEU N . 52627 2 237 . 2 . 2 47 47 LYS H H 1 7.805 0.002 . 1 . . 27 . . 47 LYS H . 52627 2 238 . 2 . 2 47 47 LYS HA H 1 4.141 . . 1 . . 210 . . 47 LYS HA . 52627 2 239 . 2 . 2 47 47 LYS C C 13 176.254 . . 1 . . 126 . . 47 LYS C . 52627 2 240 . 2 . 2 47 47 LYS CA C 13 57.708 . . 1 . . 128 . . 47 LYS CA . 52627 2 241 . 2 . 2 47 47 LYS CB C 13 33.788 . . 1 . . 129 . . 47 LYS CB . 52627 2 242 . 2 . 2 47 47 LYS N N 15 127.008 0.008 . 1 . . 28 . . 47 LYS N . 52627 2 stop_ save_