################################### # 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 27108 _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' . . . 27108 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 ARG H H 1 8.129 0.010 . . . . . . 398 R H . 27108 1 2 . 1 1 2 2 ARG CA C 13 56.078 0.000 . . . . . . 398 R CA . 27108 1 3 . 1 1 2 2 ARG CB C 13 30.033 0.000 . . . . . . 398 R CB . 27108 1 4 . 1 1 2 2 ARG N N 15 118.766 0.021 . . . . . . 398 R N . 27108 1 5 . 1 1 4 4 VAL CA C 13 63.066 0.000 . . . . . . 400 V CA . 27108 1 6 . 1 1 4 4 VAL CB C 13 32.700 0.065 . . . . . . 400 V CB . 27108 1 7 . 1 1 5 5 LEU H H 1 9.078 0.006 . . . . . . 401 L H . 27108 1 8 . 1 1 5 5 LEU CA C 13 57.808 0.083 . . . . . . 401 L CA . 27108 1 9 . 1 1 5 5 LEU CB C 13 42.854 0.021 . . . . . . 401 L CB . 27108 1 10 . 1 1 5 5 LEU N N 15 129.168 0.043 . . . . . . 401 L N . 27108 1 11 . 1 1 6 6 TYR H H 1 7.141 0.004 . . . . . . 402 Y H . 27108 1 12 . 1 1 6 6 TYR CA C 13 56.401 0.014 . . . . . . 402 Y CA . 27108 1 13 . 1 1 6 6 TYR CB C 13 37.601 0.054 . . . . . . 402 Y CB . 27108 1 14 . 1 1 6 6 TYR N N 15 111.029 0.029 . . . . . . 402 Y N . 27108 1 15 . 1 1 7 7 GLN H H 1 9.051 0.003 . . . . . . 403 Q H . 27108 1 16 . 1 1 7 7 GLN CA C 13 55.078 0.048 . . . . . . 403 Q CA . 27108 1 17 . 1 1 7 7 GLN CB C 13 32.404 0.024 . . . . . . 403 Q CB . 27108 1 18 . 1 1 7 7 GLN N N 15 117.011 0.014 . . . . . . 403 Q N . 27108 1 19 . 1 1 8 8 VAL H H 1 8.999 0.003 . . . . . . 404 V H . 27108 1 20 . 1 1 8 8 VAL CA C 13 58.811 0.071 . . . . . . 404 V CA . 27108 1 21 . 1 1 8 8 VAL CB C 13 36.140 0.070 . . . . . . 404 V CB . 27108 1 22 . 1 1 8 8 VAL N N 15 113.953 0.045 . . . . . . 404 V N . 27108 1 23 . 1 1 9 9 VAL H H 1 9.006 0.004 . . . . . . 405 V H . 27108 1 24 . 1 1 9 9 VAL CA C 13 60.307 0.076 . . . . . . 405 V CA . 27108 1 25 . 1 1 9 9 VAL CB C 13 34.526 0.043 . . . . . . 405 V CB . 27108 1 26 . 1 1 9 9 VAL N N 15 119.716 0.018 . . . . . . 405 V N . 27108 1 27 . 1 1 10 10 ALA H H 1 8.676 0.003 . . . . . . 406 A H . 27108 1 28 . 1 1 10 10 ALA CA C 13 53.246 0.151 . . . . . . 406 A CA . 27108 1 29 . 1 1 10 10 ALA CB C 13 20.282 0.051 . . . . . . 406 A CB . 27108 1 30 . 1 1 10 10 ALA N N 15 128.340 0.027 . . . . . . 406 A N . 27108 1 31 . 1 1 11 11 GLN H H 1 9.469 0.002 . . . . . . 407 Q H . 27108 1 32 . 1 1 11 11 GLN CA C 13 55.835 0.119 . . . . . . 407 Q CA . 27108 1 33 . 1 1 11 11 GLN CB C 13 30.067 0.034 . . . . . . 407 Q CB . 27108 1 34 . 1 1 11 11 GLN N N 15 126.132 0.063 . . . . . . 407 Q N . 27108 1 35 . 1 1 12 12 HIS H H 1 7.770 0.001 . . . . . . 408 H H . 27108 1 36 . 1 1 12 12 HIS CA C 13 54.190 0.103 . . . . . . 408 H CA . 27108 1 37 . 1 1 12 12 HIS CB C 13 33.577 0.052 . . . . . . 408 H CB . 27108 1 38 . 1 1 12 12 HIS N N 15 116.704 0.012 . . . . . . 408 H N . 27108 1 39 . 1 1 13 13 SER H H 1 8.941 0.003 . . . . . . 409 S H . 27108 1 40 . 1 1 13 13 SER CA C 13 59.156 0.000 . . . . . . 409 S CA . 27108 1 41 . 1 1 13 13 SER CB C 13 63.910 0.000 . . . . . . 409 S CB . 27108 1 42 . 1 1 13 13 SER N N 15 118.119 0.070 . . . . . . 409 S N . 27108 1 43 . 1 1 14 14 TYR H H 1 8.271 0.000 . . . . . . 410 Y H . 27108 1 44 . 1 1 14 14 TYR CA C 13 58.145 0.053 . . . . . . 410 Y CA . 27108 1 45 . 1 1 14 14 TYR CB C 13 38.983 0.000 . . . . . . 410 Y CB . 27108 1 46 . 1 1 14 14 TYR N N 15 122.364 0.000 . . . . . . 410 Y N . 27108 1 47 . 1 1 15 15 SER H H 1 8.093 0.004 . . . . . . 411 S H . 27108 1 48 . 1 1 15 15 SER CA C 13 57.121 0.807 . . . . . . 411 S CA . 27108 1 49 . 1 1 15 15 SER CB C 13 63.747 0.389 . . . . . . 411 S CB . 27108 1 50 . 1 1 15 15 SER N N 15 117.696 0.023 . . . . . . 411 S N . 27108 1 51 . 1 1 16 16 ALA H H 1 8.062 0.002 . . . . . . 412 A H . 27108 1 52 . 1 1 16 16 ALA CA C 13 53.135 0.118 . . . . . . 412 A CA . 27108 1 53 . 1 1 16 16 ALA CB C 13 19.679 0.072 . . . . . . 412 A CB . 27108 1 54 . 1 1 16 16 ALA N N 15 127.309 0.013 . . . . . . 412 A N . 27108 1 55 . 1 1 17 17 GLN H H 1 9.090 0.009 . . . . . . 413 Q H . 27108 1 56 . 1 1 17 17 GLN CA C 13 56.073 0.046 . . . . . . 413 Q CA . 27108 1 57 . 1 1 17 17 GLN CB C 13 30.350 0.034 . . . . . . 413 Q CB . 27108 1 58 . 1 1 17 17 GLN N N 15 122.263 0.042 . . . . . . 413 Q N . 27108 1 59 . 1 1 18 18 GLY H H 1 8.060 0.003 . . . . . . 414 G H . 27108 1 60 . 1 1 18 18 GLY CA C 13 45.072 0.000 . . . . . . 414 G CA . 27108 1 61 . 1 1 18 18 GLY N N 15 109.202 0.016 . . . . . . 414 G N . 27108 1 62 . 1 1 19 19 PRO CA C 13 64.938 0.112 . . . . . . 415 P CA . 27108 1 63 . 1 1 19 19 PRO CB C 13 32.257 0.011 . . . . . . 415 P CB . 27108 1 64 . 1 1 20 20 GLU H H 1 9.116 0.004 . . . . . . 416 E H . 27108 1 65 . 1 1 20 20 GLU CA C 13 56.682 0.076 . . . . . . 416 E CA . 27108 1 66 . 1 1 20 20 GLU CB C 13 29.532 0.018 . . . . . . 416 E CB . 27108 1 67 . 1 1 20 20 GLU N N 15 116.943 0.019 . . . . . . 416 E N . 27108 1 68 . 1 1 21 21 ASP H H 1 7.485 0.001 . . . . . . 417 D H . 27108 1 69 . 1 1 21 21 ASP CA C 13 54.653 0.069 . . . . . . 417 D CA . 27108 1 70 . 1 1 21 21 ASP CB C 13 43.716 0.055 . . . . . . 417 D CB . 27108 1 71 . 1 1 21 21 ASP N N 15 120.054 0.046 . . . . . . 417 D N . 27108 1 72 . 1 1 22 22 LEU H H 1 8.939 0.008 . . . . . . 418 L H . 27108 1 73 . 1 1 22 22 LEU CA C 13 54.058 0.128 . . . . . . 418 L CA . 27108 1 74 . 1 1 22 22 LEU CB C 13 44.389 0.169 . . . . . . 418 L CB . 27108 1 75 . 1 1 22 22 LEU N N 15 124.891 0.043 . . . . . . 418 L N . 27108 1 76 . 1 1 23 23 GLY H H 1 7.809 0.003 . . . . . . 419 G H . 27108 1 77 . 1 1 23 23 GLY CA C 13 43.854 0.026 . . . . . . 419 G CA . 27108 1 78 . 1 1 23 23 GLY N N 15 108.220 0.016 . . . . . . 419 G N . 27108 1 79 . 1 1 24 24 PHE H H 1 8.113 0.002 . . . . . . 420 F H . 27108 1 80 . 1 1 24 24 PHE CA C 13 56.514 0.031 . . . . . . 420 F CA . 27108 1 81 . 1 1 24 24 PHE CB C 13 39.835 0.050 . . . . . . 420 F CB . 27108 1 82 . 1 1 24 24 PHE N N 15 113.415 0.038 . . . . . . 420 F N . 27108 1 83 . 1 1 25 25 ARG H H 1 9.399 0.002 . . . . . . 421 R H . 27108 1 84 . 1 1 25 25 ARG CA C 13 53.980 0.065 . . . . . . 421 R CA . 27108 1 85 . 1 1 25 25 ARG CB C 13 32.259 0.030 . . . . . . 421 R CB . 27108 1 86 . 1 1 25 25 ARG N N 15 121.049 0.038 . . . . . . 421 R N . 27108 1 87 . 1 1 26 26 GLN H H 1 8.258 0.002 . . . . . . 422 Q H . 27108 1 88 . 1 1 26 26 GLN CA C 13 58.600 0.055 . . . . . . 422 Q CA . 27108 1 89 . 1 1 26 26 GLN CB C 13 28.479 0.035 . . . . . . 422 Q CB . 27108 1 90 . 1 1 26 26 GLN N N 15 121.510 0.049 . . . . . . 422 Q N . 27108 1 91 . 1 1 27 27 GLY H H 1 8.941 0.002 . . . . . . 423 G H . 27108 1 92 . 1 1 27 27 GLY CA C 13 53.958 0.000 . . . . . . 423 G CA . 27108 1 93 . 1 1 27 27 GLY N N 15 115.419 0.035 . . . . . . 423 G N . 27108 1 94 . 1 1 28 28 ASP H H 1 8.170 0.003 . . . . . . 424 D H . 27108 1 95 . 1 1 28 28 ASP CA C 13 55.941 0.116 . . . . . . 424 D CA . 27108 1 96 . 1 1 28 28 ASP CB C 13 41.526 0.088 . . . . . . 424 D CB . 27108 1 97 . 1 1 28 28 ASP N N 15 122.272 0.020 . . . . . . 424 D N . 27108 1 98 . 1 1 29 29 THR H H 1 8.331 0.002 . . . . . . 425 T H . 27108 1 99 . 1 1 29 29 THR CA C 13 63.136 0.080 . . . . . . 425 T CA . 27108 1 100 . 1 1 29 29 THR CB C 13 69.543 0.104 . . . . . . 425 T CB . 27108 1 101 . 1 1 29 29 THR N N 15 117.060 0.037 . . . . . . 425 T N . 27108 1 102 . 1 1 30 30 VAL H H 1 9.060 0.004 . . . . . . 426 V H . 27108 1 103 . 1 1 30 30 VAL CA C 13 61.229 0.017 . . . . . . 426 V CA . 27108 1 104 . 1 1 30 30 VAL CB C 13 34.408 0.024 . . . . . . 426 V CB . 27108 1 105 . 1 1 30 30 VAL N N 15 128.715 0.045 . . . . . . 426 V N . 27108 1 106 . 1 1 31 31 ASP H H 1 9.013 0.004 . . . . . . 427 D H . 27108 1 107 . 1 1 31 31 ASP CA C 13 54.425 0.067 . . . . . . 427 D CA . 27108 1 108 . 1 1 31 31 ASP CB C 13 43.658 0.027 . . . . . . 427 D CB . 27108 1 109 . 1 1 31 31 ASP N N 15 126.705 0.011 . . . . . . 427 D N . 27108 1 110 . 1 1 32 32 VAL H H 1 8.993 0.004 . . . . . . 428 V H . 27108 1 111 . 1 1 32 32 VAL CA C 13 65.481 0.053 . . . . . . 428 V CA . 27108 1 112 . 1 1 32 32 VAL CB C 13 31.471 0.034 . . . . . . 428 V CB . 27108 1 113 . 1 1 32 32 VAL N N 15 125.300 0.019 . . . . . . 428 V N . 27108 1 114 . 1 1 33 33 LEU H H 1 9.266 0.003 . . . . . . 429 L H . 27108 1 115 . 1 1 33 33 LEU CA C 13 54.946 0.042 . . . . . . 429 L CA . 27108 1 116 . 1 1 33 33 LEU CB C 13 43.865 0.023 . . . . . . 429 L CB . 27108 1 117 . 1 1 33 33 LEU N N 15 126.410 0.030 . . . . . . 429 L N . 27108 1 118 . 1 1 34 34 CYS H H 1 7.785 0.003 . . . . . . 430 C H . 27108 1 119 . 1 1 34 34 CYS CA C 13 58.786 0.012 . . . . . . 430 C CA . 27108 1 120 . 1 1 34 34 CYS CB C 13 29.549 0.062 . . . . . . 430 C CB . 27108 1 121 . 1 1 34 34 CYS N N 15 115.539 0.027 . . . . . . 430 C N . 27108 1 122 . 1 1 35 35 GLU H H 1 9.025 0.002 . . . . . . 431 E H . 27108 1 123 . 1 1 35 35 GLU CA C 13 55.703 0.106 . . . . . . 431 E CA . 27108 1 124 . 1 1 35 35 GLU CB C 13 28.226 0.023 . . . . . . 431 E CB . 27108 1 125 . 1 1 35 35 GLU N N 15 128.110 0.044 . . . . . . 431 E N . 27108 1 126 . 1 1 36 36 VAL H H 1 7.613 0.007 . . . . . . 432 V H . 27108 1 127 . 1 1 36 36 VAL CA C 13 66.024 0.080 . . . . . . 432 V CA . 27108 1 128 . 1 1 36 36 VAL CB C 13 32.497 0.043 . . . . . . 432 V CB . 27108 1 129 . 1 1 36 36 VAL N N 15 127.551 0.028 . . . . . . 432 V N . 27108 1 130 . 1 1 37 37 ASP H H 1 8.214 0.004 . . . . . . 433 D H . 27108 1 131 . 1 1 37 37 ASP CA C 13 54.059 0.071 . . . . . . 433 D CA . 27108 1 132 . 1 1 37 37 ASP CB C 13 40.435 0.026 . . . . . . 433 D CB . 27108 1 133 . 1 1 37 37 ASP N N 15 117.430 0.047 . . . . . . 433 D N . 27108 1 134 . 1 1 38 38 GLN H H 1 8.229 0.006 . . . . . . 434 Q H . 27108 1 135 . 1 1 38 38 GLN CA C 13 58.590 0.043 . . . . . . 434 Q CA . 27108 1 136 . 1 1 38 38 GLN CB C 13 28.644 0.076 . . . . . . 434 Q CB . 27108 1 137 . 1 1 38 38 GLN N N 15 113.561 0.040 . . . . . . 434 Q N . 27108 1 138 . 1 1 39 39 ALA H H 1 8.880 0.005 . . . . . . 435 A H . 27108 1 139 . 1 1 39 39 ALA CA C 13 52.360 0.011 . . . . . . 435 A CA . 27108 1 140 . 1 1 39 39 ALA CB C 13 22.192 0.035 . . . . . . 435 A CB . 27108 1 141 . 1 1 39 39 ALA N N 15 120.767 0.026 . . . . . . 435 A N . 27108 1 142 . 1 1 40 40 TRP H H 1 8.242 0.008 . . . . . . 436 W H . 27108 1 143 . 1 1 40 40 TRP CA C 13 57.126 0.034 . . . . . . 436 W CA . 27108 1 144 . 1 1 40 40 TRP CB C 13 31.708 0.072 . . . . . . 436 W CB . 27108 1 145 . 1 1 40 40 TRP N N 15 121.289 0.022 . . . . . . 436 W N . 27108 1 146 . 1 1 41 41 LEU H H 1 8.429 0.005 . . . . . . 437 L H . 27108 1 147 . 1 1 41 41 LEU CA C 13 52.645 0.035 . . . . . . 437 L CA . 27108 1 148 . 1 1 41 41 LEU CB C 13 45.772 0.019 . . . . . . 437 L CB . 27108 1 149 . 1 1 41 41 LEU N N 15 119.560 0.040 . . . . . . 437 L N . 27108 1 150 . 1 1 42 42 GLU H H 1 8.593 0.003 . . . . . . 438 E H . 27108 1 151 . 1 1 42 42 GLU CA C 13 54.714 0.082 . . . . . . 438 E CA . 27108 1 152 . 1 1 42 42 GLU CB C 13 33.147 0.060 . . . . . . 438 E CB . 27108 1 153 . 1 1 42 42 GLU N N 15 119.234 0.039 . . . . . . 438 E N . 27108 1 154 . 1 1 43 43 GLY H H 1 9.730 0.006 . . . . . . 439 G H . 27108 1 155 . 1 1 43 43 GLY CA C 13 46.544 0.022 . . . . . . 439 G CA . 27108 1 156 . 1 1 43 43 GLY N N 15 114.150 0.042 . . . . . . 439 G N . 27108 1 157 . 1 1 44 44 HIS H H 1 9.176 0.003 . . . . . . 440 H H . 27108 1 158 . 1 1 44 44 HIS CA C 13 54.295 0.035 . . . . . . 440 H CA . 27108 1 159 . 1 1 44 44 HIS CB C 13 33.398 0.027 . . . . . . 440 H CB . 27108 1 160 . 1 1 44 44 HIS N N 15 117.807 0.018 . . . . . . 440 H N . 27108 1 161 . 1 1 45 45 CYS H H 1 8.669 0.003 . . . . . . 441 C H . 27108 1 162 . 1 1 45 45 CYS CA C 13 59.720 0.148 . . . . . . 441 C CA . 27108 1 163 . 1 1 45 45 CYS CB C 13 29.412 0.033 . . . . . . 441 C CB . 27108 1 164 . 1 1 45 45 CYS N N 15 127.212 0.008 . . . . . . 441 C N . 27108 1 165 . 1 1 46 46 ASP H H 1 9.235 0.003 . . . . . . 442 D H . 27108 1 166 . 1 1 46 46 ASP CA C 13 55.722 0.116 . . . . . . 442 D CA . 27108 1 167 . 1 1 46 46 ASP CB C 13 40.412 0.086 . . . . . . 442 D CB . 27108 1 168 . 1 1 46 46 ASP N N 15 128.765 0.038 . . . . . . 442 D N . 27108 1 169 . 1 1 47 47 GLY H H 1 8.294 0.156 . . . . . . 443 G H . 27108 1 170 . 1 1 47 47 GLY CA C 13 45.494 0.032 . . . . . . 443 G CA . 27108 1 171 . 1 1 47 47 GLY N N 15 105.017 0.011 . . . . . . 443 G N . 27108 1 172 . 1 1 48 48 ARG H H 1 7.771 0.003 . . . . . . 444 R H . 27108 1 173 . 1 1 48 48 ARG CA C 13 55.357 0.065 . . . . . . 444 R CA . 27108 1 174 . 1 1 48 48 ARG CB C 13 32.105 0.045 . . . . . . 444 R CB . 27108 1 175 . 1 1 48 48 ARG N N 15 122.164 0.016 . . . . . . 444 R N . 27108 1 176 . 1 1 49 49 ILE H H 1 8.303 0.003 . . . . . . 445 I H . 27108 1 177 . 1 1 49 49 ILE CA C 13 59.509 0.045 . . . . . . 445 I CA . 27108 1 178 . 1 1 49 49 ILE CB C 13 42.050 0.061 . . . . . . 445 I CB . 27108 1 179 . 1 1 49 49 ILE N N 15 119.725 0.037 . . . . . . 445 I N . 27108 1 180 . 1 1 50 50 GLY H H 1 8.738 0.006 . . . . . . 446 G H . 27108 1 181 . 1 1 50 50 GLY CA C 13 45.890 0.026 . . . . . . 446 G CA . 27108 1 182 . 1 1 50 50 GLY N N 15 112.868 0.050 . . . . . . 446 G N . 27108 1 183 . 1 1 51 51 ILE H H 1 8.838 0.001 . . . . . . 447 I H . 27108 1 184 . 1 1 51 51 ILE CA C 13 60.310 0.145 . . . . . . 447 I CA . 27108 1 185 . 1 1 51 51 ILE CB C 13 41.883 0.066 . . . . . . 447 I CB . 27108 1 186 . 1 1 51 51 ILE N N 15 115.512 0.012 . . . . . . 447 I N . 27108 1 187 . 1 1 52 52 PHE H H 1 9.167 0.003 . . . . . . 448 F H . 27108 1 188 . 1 1 52 52 PHE CA C 13 56.312 0.000 . . . . . . 448 F CA . 27108 1 189 . 1 1 52 52 PHE CB C 13 38.864 0.000 . . . . . . 448 F CB . 27108 1 190 . 1 1 52 52 PHE N N 15 118.803 0.014 . . . . . . 448 F N . 27108 1 191 . 1 1 53 53 PRO CA C 13 61.785 0.146 . . . . . . 449 P CA . 27108 1 192 . 1 1 53 53 PRO CB C 13 31.685 0.014 . . . . . . 449 P CB . 27108 1 193 . 1 1 54 54 LYS H H 1 8.186 0.002 . . . . . . 450 K H . 27108 1 194 . 1 1 54 54 LYS CA C 13 59.185 0.059 . . . . . . 450 K CA . 27108 1 195 . 1 1 54 54 LYS CB C 13 33.517 0.163 . . . . . . 450 K CB . 27108 1 196 . 1 1 54 54 LYS N N 15 125.283 0.037 . . . . . . 450 K N . 27108 1 197 . 1 1 55 55 CYS H H 1 8.042 0.006 . . . . . . 451 C H . 27108 1 198 . 1 1 55 55 CYS CA C 13 59.267 0.154 . . . . . . 451 C CA . 27108 1 199 . 1 1 55 55 CYS CB C 13 27.173 0.055 . . . . . . 451 C CB . 27108 1 200 . 1 1 55 55 CYS N N 15 111.657 0.067 . . . . . . 451 C N . 27108 1 201 . 1 1 56 56 VAL H H 1 7.542 0.004 . . . . . . 452 V H . 27108 1 202 . 1 1 56 56 VAL CA C 13 59.001 0.123 . . . . . . 452 V CA . 27108 1 203 . 1 1 56 56 VAL CB C 13 39.821 0.037 . . . . . . 452 V CB . 27108 1 204 . 1 1 56 56 VAL N N 15 120.512 0.026 . . . . . . 452 V N . 27108 1 205 . 1 1 57 57 VAL H H 1 8.034 0.002 . . . . . . 453 V H . 27108 1 206 . 1 1 57 57 VAL CA C 13 59.526 0.105 . . . . . . 453 V CA . 27108 1 207 . 1 1 57 57 VAL CB C 13 35.758 0.045 . . . . . . 453 V CB . 27108 1 208 . 1 1 57 57 VAL N N 15 111.216 0.010 . . . . . . 453 V N . 27108 1 209 . 1 1 58 58 PRO CA C 13 58.882 0.000 . . . . . . 454 P CA . 27108 1 210 . 1 1 58 58 PRO CB C 13 34.269 0.000 . . . . . . 454 P CB . 27108 1 211 . 1 1 58 58 PRO N N 15 114.984 0.030 . . . . . . 454 P N . 27108 1 212 . 1 1 59 59 ALA CA C 13 64.201 0.095 . . . . . . 455 A CA . 27108 1 213 . 1 1 59 59 ALA CB C 13 32.364 0.009 . . . . . . 455 A CB . 27108 1 214 . 1 1 60 60 GLY H H 1 8.256 0.003 . . . . . . 456 G H . 27108 1 215 . 1 1 60 60 GLY CA C 13 52.475 0.061 . . . . . . 456 G CA . 27108 1 216 . 1 1 60 60 GLY N N 15 125.206 0.041 . . . . . . 456 G N . 27108 1 217 . 1 1 61 61 PRO CA C 13 44.794 0.000 . . . . . . 457 P CA . 27108 1 218 . 1 1 61 61 PRO N N 15 108.334 0.067 . . . . . . 457 P N . 27108 1 219 . 1 1 62 62 ARG CA C 13 63.255 0.013 . . . . . . 458 R CA . 27108 1 220 . 1 1 62 62 ARG CB C 13 32.312 0.012 . . . . . . 458 R CB . 27108 1 221 . 1 1 63 63 MET H H 1 8.402 0.001 . . . . . . 459 M H . 27108 1 222 . 1 1 63 63 MET CA C 13 56.420 0.040 . . . . . . 459 M CA . 27108 1 223 . 1 1 63 63 MET CB C 13 30.937 0.031 . . . . . . 459 M CB . 27108 1 224 . 1 1 63 63 MET N N 15 121.400 0.015 . . . . . . 459 M N . 27108 1 225 . 1 1 64 64 SER H H 1 8.473 0.002 . . . . . . 460 S H . 27108 1 226 . 1 1 64 64 SER CA C 13 55.953 0.029 . . . . . . 460 S CA . 27108 1 227 . 1 1 64 64 SER CB C 13 33.293 0.033 . . . . . . 460 S CB . 27108 1 228 . 1 1 64 64 SER N N 15 123.009 0.029 . . . . . . 460 S N . 27108 1 stop_ save_