################################### # 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 54003 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'pLIC2 C-terminus' _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' . . . 54003 1 2 '3D HNCACB' . . . 54003 1 3 HNN . . . 54003 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 . . 54003 1 2 $software_2 . . 54003 1 3 $software_3 . . 54003 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 TRP CA C 13 56.887 0.014 . 1 . . . . . 374 W CA . 54003 1 2 . 1 . 1 1 1 TRP CB C 13 29.588 0.041 . 1 . . . . . 374 W CB . 54003 1 3 . 1 . 1 1 1 TRP N N 15 120.799 0.227 . 1 . . . . . 374 W N . 54003 1 4 . 1 . 1 2 2 ALA H H 1 7.985 0.049 . 1 . . . . . 375 A HN . 54003 1 5 . 1 . 1 2 2 ALA CA C 13 52.088 0.074 . 1 . . . . . 375 A CA . 54003 1 6 . 1 . 1 2 2 ALA CB C 13 19.688 0.060 . 1 . . . . . 375 A CB . 54003 1 7 . 1 . 1 2 2 ALA N N 15 126.106 0.185 . 1 . . . . . 375 A N . 54003 1 8 . 1 . 1 3 3 THR H H 1 8.964 0.063 . 1 . . . . . 376 T HN . 54003 1 9 . 1 . 1 3 3 THR CA C 13 60.436 0.000 . 1 . . . . . 376 T CA . 54003 1 10 . 1 . 1 3 3 THR CB C 13 72.615 0.000 . 1 . . . . . 376 T CB . 54003 1 11 . 1 . 1 3 3 THR N N 15 120.118 0.362 . 1 . . . . . 376 T N . 54003 1 12 . 1 . 1 4 4 PRO CA C 13 63.770 0.082 . 1 . . . . . 377 P CA . 54003 1 13 . 1 . 1 4 4 PRO CB C 13 32.318 0.096 . 1 . . . . . 377 P CB . 54003 1 14 . 1 . 1 5 5 THR H H 1 8.256 0.012 . 1 . . . . . 378 T HN . 54003 1 15 . 1 . 1 5 5 THR CA C 13 62.663 0.003 . 1 . . . . . 378 T CA . 54003 1 16 . 1 . 1 5 5 THR CB C 13 69.520 0.011 . 1 . . . . . 378 T CB . 54003 1 17 . 1 . 1 5 5 THR N N 15 115.184 0.104 . 1 . . . . . 378 T N . 54003 1 18 . 1 . 1 6 6 ARG H H 1 8.332 0.000 . 1 . . . . . 379 R HN . 54003 1 19 . 1 . 1 6 6 ARG CA C 13 55.997 0.000 . 1 . . . . . 379 R CA . 54003 1 20 . 1 . 1 6 6 ARG CB C 13 30.882 0.000 . 1 . . . . . 379 R CB . 54003 1 21 . 1 . 1 6 6 ARG N N 15 124.004 0.002 . 1 . . . . . 379 R N . 54003 1 22 . 1 . 1 7 7 ALA H H 1 8.417 0.024 . 1 . . . . . 380 A HN . 54003 1 23 . 1 . 1 7 7 ALA CA C 13 52.723 0.068 . 1 . . . . . 380 A CA . 54003 1 24 . 1 . 1 7 7 ALA CB C 13 19.247 0.058 . 1 . . . . . 380 A CB . 54003 1 25 . 1 . 1 7 7 ALA N N 15 125.971 0.040 . 1 . . . . . 380 A N . 54003 1 26 . 1 . 1 8 8 SER H H 1 8.259 0.017 . 1 . . . . . 381 S HN . 54003 1 27 . 1 . 1 8 8 SER CA C 13 58.342 0.125 . 1 . . . . . 381 S CA . 54003 1 28 . 1 . 1 8 8 SER CB C 13 63.846 0.094 . 1 . . . . . 381 S CB . 54003 1 29 . 1 . 1 8 8 SER N N 15 114.902 0.063 . 1 . . . . . 381 S N . 54003 1 30 . 1 . 1 9 9 GLU H H 1 8.390 0.043 . 1 . . . . . 382 E HN . 54003 1 31 . 1 . 1 9 9 GLU CA C 13 56.385 0.263 . 1 . . . . . 382 E CA . 54003 1 32 . 1 . 1 9 9 GLU CB C 13 30.446 0.089 . 1 . . . . . 382 E CB . 54003 1 33 . 1 . 1 9 9 GLU N N 15 122.589 0.042 . 1 . . . . . 382 E N . 54003 1 34 . 1 . 1 10 10 SER H H 1 8.657 0.001 . 1 . . . . . 383 S HN . 54003 1 35 . 1 . 1 10 10 SER CA C 13 58.261 0.017 . 1 . . . . . 383 S CA . 54003 1 36 . 1 . 1 10 10 SER CB C 13 65.215 0.000 . 1 . . . . . 383 S CB . 54003 1 37 . 1 . 1 10 10 SER N N 15 119.571 0.175 . 1 . . . . . 383 S N . 54003 1 38 . 1 . 1 11 11 PRO CA C 13 63.266 0.019 . 1 . . . . . 384 P CA . 54003 1 39 . 1 . 1 11 11 PRO CB C 13 32.003 0.013 . 1 . . . . . 384 P CB . 54003 1 40 . 1 . 1 12 12 ALA H H 1 8.362 0.009 . 1 . . . . . 385 A HN . 54003 1 41 . 1 . 1 12 12 ALA CA C 13 52.760 0.148 . 1 . . . . . 385 A CA . 54003 1 42 . 1 . 1 12 12 ALA CB C 13 18.979 0.151 . 1 . . . . . 385 A CB . 54003 1 43 . 1 . 1 12 12 ALA N N 15 124.224 0.188 . 1 . . . . . 385 A N . 54003 1 44 . 1 . 1 13 13 ARG H H 1 8.323 0.024 . 1 . . . . . 386 R HN . 54003 1 45 . 1 . 1 13 13 ARG CA C 13 55.859 0.101 . 1 . . . . . 386 R CA . 54003 1 46 . 1 . 1 13 13 ARG CB C 13 31.301 0.104 . 1 . . . . . 386 R CB . 54003 1 47 . 1 . 1 13 13 ARG N N 15 120.489 0.135 . 1 . . . . . 386 R N . 54003 1 48 . 1 . 1 15 15 PRO CA C 13 63.551 0.000 . 1 . . . . . 388 P CA . 54003 1 49 . 1 . 1 16 16 SER H H 1 8.554 0.033 . 1 . . . . . 389 S HN . 54003 1 50 . 1 . 1 16 16 SER CA C 13 58.430 0.121 . 1 . . . . . 389 S CA . 54003 1 51 . 1 . 1 16 16 SER CB C 13 63.904 0.022 . 1 . . . . . 389 S CB . 54003 1 52 . 1 . 1 16 16 SER N N 15 116.186 0.076 . 1 . . . . . 389 S N . 54003 1 53 . 1 . 1 17 17 GLY H H 1 8.352 0.040 . 1 . . . . . 390 G HN . 54003 1 54 . 1 . 1 17 17 GLY CA C 13 45.132 0.067 . 1 . . . . . 390 G CA . 54003 1 55 . 1 . 1 17 17 GLY N N 15 110.691 0.126 . 1 . . . . . 390 G N . 54003 1 56 . 1 . 1 18 18 SER H H 1 8.682 0.001 . 1 . . . . . 391 S HN . 54003 1 57 . 1 . 1 18 18 SER CA C 13 55.892 0.000 . 1 . . . . . 391 S CA . 54003 1 58 . 1 . 1 18 18 SER CB C 13 65.116 0.000 . 1 . . . . . 391 S CB . 54003 1 59 . 1 . 1 18 18 SER N N 15 118.585 0.121 . 1 . . . . . 391 S N . 54003 1 60 . 1 . 1 19 19 PRO CA C 13 64.115 0.000 . 1 . . . . . 392 P CA . 54003 1 61 . 1 . 1 19 19 PRO CB C 13 31.994 0.000 . 1 . . . . . 392 P CB . 54003 1 62 . 1 . 1 20 20 ARG H H 1 8.505 0.030 . 1 . . . . . 393 R HN . 54003 1 63 . 1 . 1 20 20 ARG CA C 13 58.852 3.335 . 1 . . . . . 393 R CA . 54003 1 64 . 1 . 1 20 20 ARG CB C 13 31.222 0.686 . 1 . . . . . 393 R CB . 54003 1 65 . 1 . 1 20 20 ARG CG C 13 27.490 0.162 . 1 . . . . . 393 R CG . 54003 1 66 . 1 . 1 20 20 ARG N N 15 120.983 0.222 . 1 . . . . . 393 R N . 54003 1 67 . 1 . 1 21 21 THR H H 1 8.131 0.009 . 1 . . . . . 394 T HN . 54003 1 68 . 1 . 1 21 21 THR CA C 13 62.130 0.302 . 1 . . . . . 394 T CA . 54003 1 69 . 1 . 1 21 21 THR CB C 13 69.813 0.050 . 1 . . . . . 394 T CB . 54003 1 70 . 1 . 1 21 21 THR N N 15 115.028 0.057 . 1 . . . . . 394 T N . 54003 1 71 . 1 . 1 22 22 GLN H H 1 8.425 0.014 . 1 . . . . . 395 Q HN . 54003 1 72 . 1 . 1 22 22 GLN CA C 13 56.243 0.152 . 1 . . . . . 395 Q CA . 54003 1 73 . 1 . 1 22 22 GLN CB C 13 29.780 0.641 . 1 . . . . . 395 Q CB . 54003 1 74 . 1 . 1 22 22 GLN N N 15 122.501 0.180 . 1 . . . . . 395 Q N . 54003 1 75 . 1 . 1 23 23 GLY H H 1 8.476 0.035 . 1 . . . . . 396 G HN . 54003 1 76 . 1 . 1 23 23 GLY CA C 13 45.354 0.137 . 1 . . . . . 396 G CA . 54003 1 77 . 1 . 1 23 23 GLY N N 15 110.043 0.131 . 1 . . . . . 396 G N . 54003 1 78 . 1 . 1 24 24 ARG H H 1 8.285 0.051 . 1 . . . . . 397 R HN . 54003 1 79 . 1 . 1 24 24 ARG CA C 13 56.261 0.156 . 1 . . . . . 397 R CA . 54003 1 80 . 1 . 1 24 24 ARG CB C 13 30.781 0.039 . 1 . . . . . 397 R CB . 54003 1 81 . 1 . 1 24 24 ARG N N 15 120.667 0.168 . 1 . . . . . 397 R N . 54003 1 82 . 1 . 1 25 25 GLY H H 1 8.484 0.008 . 1 . . . . . 398 G HN . 54003 1 83 . 1 . 1 25 25 GLY CA C 13 45.304 0.111 . 1 . . . . . 398 G CA . 54003 1 84 . 1 . 1 25 25 GLY N N 15 110.221 0.236 . 1 . . . . . 398 G N . 54003 1 85 . 1 . 1 26 26 GLY H H 1 8.149 0.006 . 1 . . . . . 399 G HN . 54003 1 86 . 1 . 1 26 26 GLY CA C 13 44.512 0.005 . 1 . . . . . 399 G CA . 54003 1 87 . 1 . 1 26 26 GLY N N 15 108.928 0.031 . 1 . . . . . 399 G N . 54003 1 88 . 1 . 1 27 27 PRO CA C 13 63.236 0.019 . 1 . . . . . 400 P CA . 54003 1 89 . 1 . 1 27 27 PRO CB C 13 31.988 0.034 . 1 . . . . . 400 P CB . 54003 1 90 . 1 . 1 27 27 PRO CG C 13 27.000 0.039 . 1 . . . . . 400 P CG . 54003 1 91 . 1 . 1 27 27 PRO CD C 13 49.549 0.031 . 1 . . . . . 400 P CD . 54003 1 92 . 1 . 1 28 28 ALA H H 1 8.440 0.004 . 1 . . . . . 401 A HN . 54003 1 93 . 1 . 1 28 28 ALA CA C 13 52.455 0.014 . 1 . . . . . 401 A CA . 54003 1 94 . 1 . 1 28 28 ALA CB C 13 19.236 0.075 . 1 . . . . . 401 A CB . 54003 1 95 . 1 . 1 28 28 ALA N N 15 123.884 0.081 . 1 . . . . . 401 A N . 54003 1 96 . 1 . 1 29 29 SER H H 1 8.211 0.005 . 1 . . . . . 402 S HN . 54003 1 97 . 1 . 1 29 29 SER CA C 13 58.197 0.020 . 1 . . . . . 402 S CA . 54003 1 98 . 1 . 1 29 29 SER CB C 13 63.894 0.035 . 1 . . . . . 402 S CB . 54003 1 99 . 1 . 1 29 29 SER N N 15 115.249 0.039 . 1 . . . . . 402 S N . 54003 1 100 . 1 . 1 30 30 VAL H H 1 8.131 0.008 . 1 . . . . . 403 V HN . 54003 1 101 . 1 . 1 30 30 VAL CA C 13 59.839 0.037 . 1 . . . . . 403 V CA . 54003 1 102 . 1 . 1 30 30 VAL CB C 13 32.723 0.067 . 1 . . . . . 403 V CB . 54003 1 103 . 1 . 1 30 30 VAL N N 15 122.994 0.052 . 1 . . . . . 403 V N . 54003 1 104 . 1 . 1 31 31 PRO CA C 13 63.182 0.022 . 1 . . . . . 404 P CA . 54003 1 105 . 1 . 1 31 31 PRO CB C 13 32.188 0.000 . 1 . . . . . 404 P CB . 54003 1 106 . 1 . 1 32 32 SER H H 1 8.458 0.005 . 1 . . . . . 405 S HN . 54003 1 107 . 1 . 1 32 32 SER CA C 13 58.233 0.111 . 1 . . . . . 405 S CA . 54003 1 108 . 1 . 1 32 32 SER CB C 13 63.924 0.009 . 1 . . . . . 405 S CB . 54003 1 109 . 1 . 1 32 32 SER N N 15 116.317 0.082 . 1 . . . . . 405 S N . 54003 1 110 . 1 . 1 33 33 SER H H 1 8.389 0.041 . 1 . . . . . 406 S HN . 54003 1 111 . 1 . 1 33 33 SER CA C 13 58.260 0.098 . 1 . . . . . 406 S CA . 54003 1 112 . 1 . 1 33 33 SER CB C 13 64.151 0.261 . 1 . . . . . 406 S CB . 54003 1 113 . 1 . 1 33 33 SER N N 15 117.913 0.203 . 1 . . . . . 406 S N . 54003 1 114 . 1 . 1 34 34 SER H H 1 8.658 0.000 . 1 . . . . . 407 S HN . 54003 1 115 . 1 . 1 34 34 SER CA C 13 58.261 0.000 . 1 . . . . . 407 S CA . 54003 1 116 . 1 . 1 34 34 SER CB C 13 65.727 0.000 . 1 . . . . . 407 S CB . 54003 1 117 . 1 . 1 34 34 SER N N 15 119.589 0.000 . 1 . . . . . 407 S N . 54003 1 118 . 1 . 1 35 35 PRO CA C 13 64.172 0.000 . 1 . . . . . 408 P CA . 54003 1 119 . 1 . 1 35 35 PRO CB C 13 32.055 0.091 . 1 . . . . . 408 P CB . 54003 1 120 . 1 . 1 36 36 GLY H H 1 8.507 0.021 . 1 . . . . . 409 G HN . 54003 1 121 . 1 . 1 36 36 GLY CA C 13 45.565 0.170 . 1 . . . . . 409 G CA . 54003 1 122 . 1 . 1 36 36 GLY N N 15 108.976 0.301 . 1 . . . . . 409 G N . 54003 1 123 . 1 . 1 37 37 THR H H 1 8.012 0.003 . 1 . . . . . 410 T HN . 54003 1 124 . 1 . 1 37 37 THR CA C 13 61.923 0.083 . 1 . . . . . 410 T CA . 54003 1 125 . 1 . 1 37 37 THR CB C 13 69.858 0.041 . 1 . . . . . 410 T CB . 54003 1 126 . 1 . 1 37 37 THR N N 15 113.396 0.040 . 1 . . . . . 410 T N . 54003 1 127 . 1 . 1 38 38 SER H H 1 8.378 0.023 . 1 . . . . . 411 S HN . 54003 1 128 . 1 . 1 38 38 SER CA C 13 58.655 0.000 . 1 . . . . . 411 S CA . 54003 1 129 . 1 . 1 38 38 SER CB C 13 63.812 0.118 . 1 . . . . . 411 S CB . 54003 1 130 . 1 . 1 38 38 SER N N 15 118.624 0.070 . 1 . . . . . 411 S N . 54003 1 131 . 1 . 1 39 39 VAL H H 1 8.109 0.036 . 1 . . . . . 412 V HN . 54003 1 132 . 1 . 1 39 39 VAL CA C 13 62.307 0.020 . 1 . . . . . 412 V CA . 54003 1 133 . 1 . 1 39 39 VAL CB C 13 32.764 0.123 . 1 . . . . . 412 V CB . 54003 1 134 . 1 . 1 39 39 VAL N N 15 121.983 0.163 . 1 . . . . . 412 V N . 54003 1 135 . 1 . 1 40 40 LYS H H 1 8.356 0.015 . 1 . . . . . 413 K HN . 54003 1 136 . 1 . 1 40 40 LYS CA C 13 56.031 0.042 . 1 . . . . . 413 K CA . 54003 1 137 . 1 . 1 40 40 LYS CB C 13 32.932 0.106 . 1 . . . . . 413 K CB . 54003 1 138 . 1 . 1 40 40 LYS N N 15 125.906 0.070 . 1 . . . . . 413 K N . 54003 1 139 . 1 . 1 41 41 LYS H H 1 8.423 0.010 . 1 . . . . . 414 K HN . 54003 1 140 . 1 . 1 41 41 LYS CA C 13 56.074 0.006 . 1 . . . . . 414 K CA . 54003 1 141 . 1 . 1 41 41 LYS CB C 13 32.567 0.051 . 1 . . . . . 414 K CB . 54003 1 142 . 1 . 1 41 41 LYS N N 15 125.110 0.096 . 1 . . . . . 414 K N . 54003 1 143 . 1 . 1 42 42 PRO CA C 13 62.839 0.000 . 1 . . . . . 415 P CA . 54003 1 144 . 1 . 1 42 42 PRO CB C 13 32.037 0.000 . 1 . . . . . 415 P CB . 54003 1 145 . 1 . 1 43 43 ASP H H 1 8.443 0.007 . 1 . . . . . 416 D HN . 54003 1 146 . 1 . 1 43 43 ASP CA C 13 56.354 0.000 . 1 . . . . . 416 D CA . 54003 1 147 . 1 . 1 43 43 ASP CB C 13 41.471 0.042 . 1 . . . . . 416 D CB . 54003 1 148 . 1 . 1 43 43 ASP N N 15 122.936 0.044 . 1 . . . . . 416 D N . 54003 1 149 . 1 . 1 44 44 PRO CA C 13 63.283 0.000 . 1 . . . . . 417 P CA . 54003 1 150 . 1 . 1 44 44 PRO CB C 13 32.154 0.077 . 1 . . . . . 417 P CB . 54003 1 151 . 1 . 1 44 44 PRO CG C 13 26.991 0.024 . 1 . . . . . 417 P CG . 54003 1 152 . 1 . 1 44 44 PRO CD C 13 50.685 0.151 . 1 . . . . . 417 P CD . 54003 1 153 . 1 . 1 45 45 ASN H H 1 8.604 0.006 . 1 . . . . . 418 N HN . 54003 1 154 . 1 . 1 45 45 ASN CA C 13 53.682 0.020 . 1 . . . . . 418 N CA . 54003 1 155 . 1 . 1 45 45 ASN CB C 13 38.714 0.133 . 1 . . . . . 418 N CB . 54003 1 156 . 1 . 1 45 45 ASN N N 15 117.815 0.074 . 1 . . . . . 418 N N . 54003 1 157 . 1 . 1 46 46 ILE H H 1 7.740 0.008 . 1 . . . . . 419 I HN . 54003 1 158 . 1 . 1 46 46 ILE CA C 13 61.466 0.017 . 1 . . . . . 419 I CA . 54003 1 159 . 1 . 1 46 46 ILE CB C 13 38.488 0.134 . 1 . . . . . 419 I CB . 54003 1 160 . 1 . 1 46 46 ILE N N 15 120.697 0.037 . 1 . . . . . 419 I N . 54003 1 161 . 1 . 1 47 47 LYS H H 1 8.320 0.007 . 1 . . . . . 420 K HN . 54003 1 162 . 1 . 1 47 47 LYS CA C 13 56.300 0.050 . 1 . . . . . 420 K CA . 54003 1 163 . 1 . 1 47 47 LYS CB C 13 32.894 0.086 . 1 . . . . . 420 K CB . 54003 1 164 . 1 . 1 47 47 LYS N N 15 124.936 0.057 . 1 . . . . . 420 K N . 54003 1 165 . 1 . 1 48 48 ASN H H 1 8.386 0.005 . 1 . . . . . 421 N HN . 54003 1 166 . 1 . 1 48 48 ASN CA C 13 53.264 0.016 . 1 . . . . . 421 N CA . 54003 1 167 . 1 . 1 48 48 ASN CB C 13 38.889 0.016 . 1 . . . . . 421 N CB . 54003 1 168 . 1 . 1 48 48 ASN N N 15 119.865 0.041 . 1 . . . . . 421 N N . 54003 1 169 . 1 . 1 49 49 ASN H H 1 8.416 0.005 . 1 . . . . . 422 N HN . 54003 1 170 . 1 . 1 49 49 ASN CA C 13 53.364 0.061 . 1 . . . . . 422 N CA . 54003 1 171 . 1 . 1 49 49 ASN CB C 13 38.874 0.054 . 1 . . . . . 422 N CB . 54003 1 172 . 1 . 1 49 49 ASN N N 15 119.793 0.033 . 1 . . . . . 422 N N . 54003 1 173 . 1 . 1 50 50 ALA H H 1 8.245 0.008 . 1 . . . . . 423 A HN . 54003 1 174 . 1 . 1 50 50 ALA CA C 13 52.958 0.072 . 1 . . . . . 423 A CA . 54003 1 175 . 1 . 1 50 50 ALA CB C 13 19.099 0.128 . 1 . . . . . 423 A CB . 54003 1 176 . 1 . 1 50 50 ALA N N 15 124.214 0.050 . 1 . . . . . 423 A N . 54003 1 177 . 1 . 1 51 51 ALA H H 1 8.225 0.006 . 1 . . . . . 424 A HN . 54003 1 178 . 1 . 1 51 51 ALA CA C 13 52.918 0.060 . 1 . . . . . 424 A CA . 54003 1 179 . 1 . 1 51 51 ALA CB C 13 19.147 0.038 . 1 . . . . . 424 A CB . 54003 1 180 . 1 . 1 51 51 ALA N N 15 122.671 0.049 . 1 . . . . . 424 A N . 54003 1 181 . 1 . 1 52 52 SER H H 1 8.169 0.007 . 1 . . . . . 425 S HN . 54003 1 182 . 1 . 1 52 52 SER CA C 13 58.619 0.063 . 1 . . . . . 425 S CA . 54003 1 183 . 1 . 1 52 52 SER CB C 13 63.825 0.085 . 1 . . . . . 425 S CB . 54003 1 184 . 1 . 1 52 52 SER N N 15 114.735 0.045 . 1 . . . . . 425 S N . 54003 1 185 . 1 . 1 53 53 GLU H H 1 8.375 0.008 . 1 . . . . . 426 E HN . 54003 1 186 . 1 . 1 53 53 GLU CA C 13 57.111 0.071 . 1 . . . . . 426 E CA . 54003 1 187 . 1 . 1 53 53 GLU CB C 13 30.203 0.063 . 1 . . . . . 426 E CB . 54003 1 188 . 1 . 1 53 53 GLU N N 15 122.415 0.035 . 1 . . . . . 426 E N . 54003 1 189 . 1 . 1 54 54 GLY H H 1 8.377 0.005 . 1 . . . . . 427 G HN . 54003 1 190 . 1 . 1 54 54 GLY CA C 13 45.569 0.042 . 1 . . . . . 427 G CA . 54003 1 191 . 1 . 1 54 54 GLY N N 15 109.451 0.029 . 1 . . . . . 427 G N . 54003 1 192 . 1 . 1 55 55 VAL H H 1 7.938 0.005 . 1 . . . . . 428 V HN . 54003 1 193 . 1 . 1 55 55 VAL CA C 13 62.975 0.055 . 1 . . . . . 428 V CA . 54003 1 194 . 1 . 1 55 55 VAL CB C 13 32.561 0.107 . 1 . . . . . 428 V CB . 54003 1 195 . 1 . 1 55 55 VAL N N 15 119.804 0.030 . 1 . . . . . 428 V N . 54003 1 196 . 1 . 1 56 56 LEU H H 1 8.257 0.006 . 1 . . . . . 429 L HN . 54003 1 197 . 1 . 1 56 56 LEU CA C 13 55.510 0.024 . 1 . . . . . 429 L CA . 54003 1 198 . 1 . 1 56 56 LEU CB C 13 42.149 0.031 . 1 . . . . . 429 L CB . 54003 1 199 . 1 . 1 56 56 LEU N N 15 124.878 0.077 . 1 . . . . . 429 L N . 54003 1 200 . 1 . 1 57 57 ALA H H 1 8.213 0.004 . 1 . . . . . 430 A HN . 54003 1 201 . 1 . 1 57 57 ALA CA C 13 53.334 0.089 . 1 . . . . . 430 A CA . 54003 1 202 . 1 . 1 57 57 ALA CB C 13 18.997 0.086 . 1 . . . . . 430 A CB . 54003 1 203 . 1 . 1 57 57 ALA N N 15 124.142 0.072 . 1 . . . . . 430 A N . 54003 1 204 . 1 . 1 58 58 SER H H 1 8.103 0.005 . 1 . . . . . 431 S HN . 54003 1 205 . 1 . 1 58 58 SER CA C 13 58.989 0.102 . 1 . . . . . 431 S CA . 54003 1 206 . 1 . 1 58 58 SER CB C 13 63.585 0.031 . 1 . . . . . 431 S CB . 54003 1 207 . 1 . 1 58 58 SER N N 15 113.861 0.046 . 1 . . . . . 431 S N . 54003 1 208 . 1 . 1 59 59 PHE H H 1 8.055 0.005 . 1 . . . . . 432 F HN . 54003 1 209 . 1 . 1 59 59 PHE CA C 13 58.695 0.112 . 1 . . . . . 432 F CA . 54003 1 210 . 1 . 1 59 59 PHE CB C 13 39.445 0.062 . 1 . . . . . 432 F CB . 54003 1 211 . 1 . 1 59 59 PHE N N 15 122.113 0.048 . 1 . . . . . 432 F N . 54003 1 212 . 1 . 1 60 60 PHE H H 1 8.102 0.008 . 1 . . . . . 433 F HN . 54003 1 213 . 1 . 1 60 60 PHE CA C 13 58.685 0.147 . 1 . . . . . 433 F CA . 54003 1 214 . 1 . 1 60 60 PHE CB C 13 39.279 0.276 . 1 . . . . . 433 F CB . 54003 1 215 . 1 . 1 60 60 PHE N N 15 120.485 0.065 . 1 . . . . . 433 F N . 54003 1 216 . 1 . 1 61 61 ASN H H 1 8.228 0.005 . 1 . . . . . 434 N HN . 54003 1 217 . 1 . 1 61 61 ASN CA C 13 53.715 0.103 . 1 . . . . . 434 N CA . 54003 1 218 . 1 . 1 61 61 ASN CB C 13 38.812 0.027 . 1 . . . . . 434 N CB . 54003 1 219 . 1 . 1 61 61 ASN N N 15 119.976 0.054 . 1 . . . . . 434 N N . 54003 1 220 . 1 . 1 62 62 SER H H 1 8.173 0.024 . 1 . . . . . 435 S HN . 54003 1 221 . 1 . 1 62 62 SER CA C 13 59.319 0.050 . 1 . . . . . 435 S CA . 54003 1 222 . 1 . 1 62 62 SER CB C 13 63.572 0.021 . 1 . . . . . 435 S CB . 54003 1 223 . 1 . 1 62 62 SER N N 15 116.768 0.070 . 1 . . . . . 435 S N . 54003 1 224 . 1 . 1 63 63 LEU H H 1 8.044 0.007 . 1 . . . . . 436 L HN . 54003 1 225 . 1 . 1 63 63 LEU CA C 13 56.010 0.051 . 1 . . . . . 436 L CA . 54003 1 226 . 1 . 1 63 63 LEU CB C 13 42.047 0.068 . 1 . . . . . 436 L CB . 54003 1 227 . 1 . 1 63 63 LEU N N 15 123.008 0.037 . 1 . . . . . 436 L N . 54003 1 228 . 1 . 1 64 64 LEU H H 1 7.880 0.006 . 1 . . . . . 437 L HN . 54003 1 229 . 1 . 1 64 64 LEU CA C 13 55.579 0.083 . 1 . . . . . 437 L CA . 54003 1 230 . 1 . 1 64 64 LEU CB C 13 42.139 0.024 . 1 . . . . . 437 L CB . 54003 1 231 . 1 . 1 64 64 LEU N N 15 120.616 0.056 . 1 . . . . . 437 L N . 54003 1 232 . 1 . 1 65 65 SER H H 1 8.010 0.006 . 1 . . . . . 438 S HN . 54003 1 233 . 1 . 1 65 65 SER CA C 13 58.633 0.048 . 1 . . . . . 438 S CA . 54003 1 234 . 1 . 1 65 65 SER CB C 13 63.832 0.011 . 1 . . . . . 438 S CB . 54003 1 235 . 1 . 1 65 65 SER N N 15 115.565 0.054 . 1 . . . . . 438 S N . 54003 1 236 . 1 . 1 66 66 LYS H H 1 8.156 0.015 . 1 . . . . . 439 K HN . 54003 1 237 . 1 . 1 66 66 LYS CA C 13 56.494 0.072 . 1 . . . . . 439 K CA . 54003 1 238 . 1 . 1 66 66 LYS CB C 13 32.995 0.089 . 1 . . . . . 439 K CB . 54003 1 239 . 1 . 1 66 66 LYS N N 15 122.959 0.073 . 1 . . . . . 439 K N . 54003 1 240 . 1 . 1 67 67 LYS H H 1 8.317 0.014 . 1 . . . . . 440 K HN . 54003 1 241 . 1 . 1 67 67 LYS CA C 13 56.582 0.000 . 1 . . . . . 440 K CA . 54003 1 242 . 1 . 1 67 67 LYS CB C 13 32.978 0.050 . 1 . . . . . 440 K CB . 54003 1 243 . 1 . 1 67 67 LYS N N 15 122.497 0.138 . 1 . . . . . 440 K N . 54003 1 244 . 1 . 1 68 68 THR H H 1 8.190 0.030 . 1 . . . . . 441 T HN . 54003 1 245 . 1 . 1 68 68 THR CA C 13 62.011 0.040 . 1 . . . . . 441 T CA . 54003 1 246 . 1 . 1 68 68 THR CB C 13 69.851 0.079 . 1 . . . . . 441 T CB . 54003 1 247 . 1 . 1 68 68 THR N N 15 115.265 0.129 . 1 . . . . . 441 T N . 54003 1 248 . 1 . 1 69 69 GLY H H 1 8.474 0.054 . 1 . . . . . 442 G HN . 54003 1 249 . 1 . 1 69 69 GLY CA C 13 45.175 0.047 . 1 . . . . . 442 G CA . 54003 1 250 . 1 . 1 69 69 GLY N N 15 111.360 0.165 . 1 . . . . . 442 G N . 54003 1 251 . 1 . 1 70 70 SER H H 1 8.341 0.006 . 1 . . . . . 443 S HN . 54003 1 252 . 1 . 1 70 70 SER CA C 13 56.539 0.030 . 1 . . . . . 443 S CA . 54003 1 253 . 1 . 1 70 70 SER CB C 13 63.473 0.043 . 1 . . . . . 443 S CB . 54003 1 254 . 1 . 1 70 70 SER N N 15 117.329 0.101 . 1 . . . . . 443 S N . 54003 1 255 . 1 . 1 71 71 PRO CA C 13 63.387 0.023 . 1 . . . . . 444 P CA . 54003 1 256 . 1 . 1 71 71 PRO CB C 13 31.994 0.042 . 1 . . . . . 444 P CB . 54003 1 257 . 1 . 1 71 71 PRO CG C 13 27.271 0.216 . 1 . . . . . 444 P CG . 54003 1 258 . 1 . 1 71 71 PRO CD C 13 51.415 0.701 . 1 . . . . . 444 P CD . 54003 1 259 . 1 . 1 72 72 GLY H H 1 8.364 0.011 . 1 . . . . . 445 G HN . 54003 1 260 . 1 . 1 72 72 GLY CA C 13 45.161 0.194 . 1 . . . . . 445 G CA . 54003 1 261 . 1 . 1 72 72 GLY N N 15 108.868 0.059 . 1 . . . . . 445 G N . 54003 1 262 . 1 . 1 73 73 SER H H 1 8.393 0.011 . 1 . . . . . 446 S HN . 54003 1 263 . 1 . 1 73 73 SER CA C 13 57.122 1.586 . 1 . . . . . 446 S CA . 54003 1 264 . 1 . 1 73 73 SER CB C 13 64.693 0.758 . 1 . . . . . 446 S CB . 54003 1 265 . 1 . 1 73 73 SER N N 15 117.673 0.147 . 1 . . . . . 446 S N . 54003 1 266 . 1 . 1 74 74 PRO CA C 13 63.538 0.278 . 1 . . . . . 447 P CA . 54003 1 267 . 1 . 1 74 74 PRO CB C 13 32.025 0.039 . 1 . . . . . 447 P CB . 54003 1 268 . 1 . 1 74 74 PRO CG C 13 27.529 0.049 . 1 . . . . . 447 P CG . 54003 1 269 . 1 . 1 74 74 PRO CD C 13 50.748 0.047 . 1 . . . . . 447 P CD . 54003 1 270 . 1 . 1 75 75 GLY H H 1 8.472 0.010 . 1 . . . . . 448 G HN . 54003 1 271 . 1 . 1 75 75 GLY CA C 13 45.352 0.114 . 1 . . . . . 448 G CA . 54003 1 272 . 1 . 1 75 75 GLY N N 15 109.147 0.205 . 1 . . . . . 448 G N . 54003 1 273 . 1 . 1 76 76 ALA H H 1 8.190 0.019 . 1 . . . . . 449 A HN . 54003 1 274 . 1 . 1 76 76 ALA CA C 13 52.839 0.091 . 1 . . . . . 449 A CA . 54003 1 275 . 1 . 1 76 76 ALA CB C 13 19.253 0.130 . 1 . . . . . 449 A CB . 54003 1 276 . 1 . 1 76 76 ALA N N 15 123.948 0.045 . 1 . . . . . 449 A N . 54003 1 277 . 1 . 1 77 77 GLY H H 1 8.475 0.016 . 1 . . . . . 450 G HN . 54003 1 278 . 1 . 1 77 77 GLY CA C 13 45.367 0.082 . 1 . . . . . 450 G CA . 54003 1 279 . 1 . 1 77 77 GLY N N 15 108.155 0.084 . 1 . . . . . 450 G N . 54003 1 280 . 1 . 1 78 78 GLY H H 1 8.218 0.005 . 1 . . . . . 451 G HN . 54003 1 281 . 1 . 1 78 78 GLY CA C 13 45.217 0.060 . 1 . . . . . 451 G CA . 54003 1 282 . 1 . 1 78 78 GLY N N 15 108.659 0.026 . 1 . . . . . 451 G N . 54003 1 283 . 1 . 1 79 79 VAL H H 1 8.068 0.007 . 1 . . . . . 452 V HN . 54003 1 284 . 1 . 1 79 79 VAL CA C 13 62.595 0.034 . 1 . . . . . 452 V CA . 54003 1 285 . 1 . 1 79 79 VAL CB C 13 32.582 0.226 . 1 . . . . . 452 V CB . 54003 1 286 . 1 . 1 79 79 VAL N N 15 119.594 0.029 . 1 . . . . . 452 V N . 54003 1 287 . 1 . 1 80 80 GLN H H 1 8.572 0.014 . 1 . . . . . 453 Q HN . 54003 1 288 . 1 . 1 80 80 GLN CA C 13 55.940 0.061 . 1 . . . . . 453 Q CA . 54003 1 289 . 1 . 1 80 80 GLN CB C 13 29.466 0.045 . 1 . . . . . 453 Q CB . 54003 1 290 . 1 . 1 80 80 GLN N N 15 124.243 0.104 . 1 . . . . . 453 Q N . 54003 1 291 . 1 . 1 81 81 SER H H 1 8.421 0.006 . 1 . . . . . 454 S HN . 54003 1 292 . 1 . 1 81 81 SER CA C 13 58.512 0.067 . 1 . . . . . 454 S CA . 54003 1 293 . 1 . 1 81 81 SER CB C 13 63.774 0.104 . 1 . . . . . 454 S CB . 54003 1 294 . 1 . 1 81 81 SER N N 15 117.492 0.070 . 1 . . . . . 454 S N . 54003 1 295 . 1 . 1 82 82 THR H H 1 8.225 0.006 . 1 . . . . . 455 T HN . 54003 1 296 . 1 . 1 82 82 THR CA C 13 62.042 0.046 . 1 . . . . . 455 T CA . 54003 1 297 . 1 . 1 82 82 THR CB C 13 69.638 0.065 . 1 . . . . . 455 T CB . 54003 1 298 . 1 . 1 82 82 THR N N 15 115.988 0.057 . 1 . . . . . 455 T N . 54003 1 299 . 1 . 1 83 83 ALA H H 1 8.229 0.012 . 1 . . . . . 456 A HN . 54003 1 300 . 1 . 1 83 83 ALA CA C 13 52.725 0.007 . 1 . . . . . 456 A CA . 54003 1 301 . 1 . 1 83 83 ALA CB C 13 19.262 0.116 . 1 . . . . . 456 A CB . 54003 1 302 . 1 . 1 83 83 ALA N N 15 126.356 0.074 . 1 . . . . . 456 A N . 54003 1 303 . 1 . 1 84 84 LYS H H 1 8.264 0.010 . 1 . . . . . 457 K HN . 54003 1 304 . 1 . 1 84 84 LYS CA C 13 56.386 0.022 . 1 . . . . . 457 K CA . 54003 1 305 . 1 . 1 84 84 LYS CB C 13 32.898 0.277 . 1 . . . . . 457 K CB . 54003 1 306 . 1 . 1 84 84 LYS N N 15 120.942 0.087 . 1 . . . . . 457 K N . 54003 1 307 . 1 . 1 85 85 LYS H H 1 8.378 0.008 . 1 . . . . . 458 K HN . 54003 1 308 . 1 . 1 85 85 LYS CA C 13 56.591 0.166 . 1 . . . . . 458 K CA . 54003 1 309 . 1 . 1 85 85 LYS CB C 13 33.073 0.083 . 1 . . . . . 458 K CB . 54003 1 310 . 1 . 1 85 85 LYS N N 15 122.958 0.107 . 1 . . . . . 458 K N . 54003 1 311 . 1 . 1 86 86 SER H H 1 8.390 0.005 . 1 . . . . . 459 S HN . 54003 1 312 . 1 . 1 86 86 SER CA C 13 58.536 0.028 . 1 . . . . . 459 S CA . 54003 1 313 . 1 . 1 86 86 SER CB C 13 63.910 0.029 . 1 . . . . . 459 S CB . 54003 1 314 . 1 . 1 86 86 SER N N 15 117.241 0.069 . 1 . . . . . 459 S N . 54003 1 315 . 1 . 1 87 87 GLY H H 1 8.498 0.006 . 1 . . . . . 460 G HN . 54003 1 316 . 1 . 1 87 87 GLY CA C 13 45.392 0.041 . 1 . . . . . 460 G CA . 54003 1 317 . 1 . 1 87 87 GLY N N 15 111.003 0.088 . 1 . . . . . 460 G N . 54003 1 318 . 1 . 1 88 88 GLN H H 1 8.219 0.006 . 1 . . . . . 461 Q HN . 54003 1 319 . 1 . 1 88 88 GLN CA C 13 55.911 0.087 . 1 . . . . . 461 Q CA . 54003 1 320 . 1 . 1 88 88 GLN CB C 13 29.651 0.099 . 1 . . . . . 461 Q CB . 54003 1 321 . 1 . 1 88 88 GLN N N 15 119.975 0.033 . 1 . . . . . 461 Q N . 54003 1 322 . 1 . 1 89 89 LYS H H 1 8.471 0.007 . 1 . . . . . 462 K HN . 54003 1 323 . 1 . 1 89 89 LYS CA C 13 56.495 0.062 . 1 . . . . . 462 K CA . 54003 1 324 . 1 . 1 89 89 LYS CB C 13 33.077 0.013 . 1 . . . . . 462 K CB . 54003 1 325 . 1 . 1 89 89 LYS N N 15 123.170 0.080 . 1 . . . . . 462 K N . 54003 1 326 . 1 . 1 90 90 THR H H 1 8.259 0.004 . 1 . . . . . 463 T HN . 54003 1 327 . 1 . 1 90 90 THR CA C 13 62.189 0.089 . 1 . . . . . 463 T CA . 54003 1 328 . 1 . 1 90 90 THR CB C 13 69.936 0.016 . 1 . . . . . 463 T CB . 54003 1 329 . 1 . 1 90 90 THR N N 15 116.940 0.038 . 1 . . . . . 463 T N . 54003 1 330 . 1 . 1 91 91 VAL H H 1 8.270 0.005 . 1 . . . . . 464 V HN . 54003 1 331 . 1 . 1 91 91 VAL CA C 13 62.339 0.035 . 1 . . . . . 464 V CA . 54003 1 332 . 1 . 1 91 91 VAL CB C 13 32.832 0.094 . 1 . . . . . 464 V CB . 54003 1 333 . 1 . 1 91 91 VAL N N 15 123.626 0.040 . 1 . . . . . 464 V N . 54003 1 334 . 1 . 1 92 92 LEU H H 1 8.390 0.011 . 1 . . . . . 465 L HN . 54003 1 335 . 1 . 1 92 92 LEU CA C 13 55.135 0.005 . 1 . . . . . 465 L CA . 54003 1 336 . 1 . 1 92 92 LEU CB C 13 42.374 0.033 . 1 . . . . . 465 L CB . 54003 1 337 . 1 . 1 92 92 LEU N N 15 126.394 0.041 . 1 . . . . . 465 L N . 54003 1 338 . 1 . 1 93 93 SER H H 1 8.312 0.005 . 1 . . . . . 466 S HN . 54003 1 339 . 1 . 1 93 93 SER CA C 13 58.401 0.042 . 1 . . . . . 466 S CA . 54003 1 340 . 1 . 1 93 93 SER CB C 13 63.893 0.022 . 1 . . . . . 466 S CB . 54003 1 341 . 1 . 1 93 93 SER N N 15 116.631 0.042 . 1 . . . . . 466 S N . 54003 1 342 . 1 . 1 94 94 ASN H H 1 8.509 0.007 . 1 . . . . . 467 N HN . 54003 1 343 . 1 . 1 94 94 ASN CA C 13 53.588 0.014 . 1 . . . . . 467 N CA . 54003 1 344 . 1 . 1 94 94 ASN CB C 13 38.740 0.071 . 1 . . . . . 467 N CB . 54003 1 345 . 1 . 1 94 94 ASN N N 15 120.996 0.040 . 1 . . . . . 467 N N . 54003 1 346 . 1 . 1 95 95 VAL H H 1 8.036 0.005 . 1 . . . . . 468 V HN . 54003 1 347 . 1 . 1 95 95 VAL CA C 13 63.342 0.026 . 1 . . . . . 468 V CA . 54003 1 348 . 1 . 1 95 95 VAL CB C 13 32.456 0.103 . 1 . . . . . 468 V CB . 54003 1 349 . 1 . 1 95 95 VAL N N 15 120.380 0.038 . 1 . . . . . 468 V N . 54003 1 350 . 1 . 1 96 96 GLN H H 1 8.383 0.005 . 1 . . . . . 469 Q HN . 54003 1 351 . 1 . 1 96 96 GLN CA C 13 56.817 0.076 . 1 . . . . . 469 Q CA . 54003 1 352 . 1 . 1 96 96 GLN CB C 13 29.140 0.042 . 1 . . . . . 469 Q CB . 54003 1 353 . 1 . 1 96 96 GLN N N 15 123.272 0.040 . 1 . . . . . 469 Q N . 54003 1 354 . 1 . 1 97 97 GLU H H 1 8.375 0.005 . 1 . . . . . 470 E HN . 54003 1 355 . 1 . 1 97 97 GLU CA C 13 57.683 0.075 . 1 . . . . . 470 E CA . 54003 1 356 . 1 . 1 97 97 GLU CB C 13 30.140 0.077 . 1 . . . . . 470 E CB . 54003 1 357 . 1 . 1 97 97 GLU N N 15 121.314 0.036 . 1 . . . . . 470 E N . 54003 1 358 . 1 . 1 98 98 GLU H H 1 8.220 0.008 . 1 . . . . . 471 E HN . 54003 1 359 . 1 . 1 98 98 GLU CA C 13 57.590 0.049 . 1 . . . . . 471 E CA . 54003 1 360 . 1 . 1 98 98 GLU CB C 13 29.923 0.091 . 1 . . . . . 471 E CB . 54003 1 361 . 1 . 1 98 98 GLU N N 15 120.795 0.025 . 1 . . . . . 471 E N . 54003 1 362 . 1 . 1 99 99 LEU H H 1 8.126 0.006 . 1 . . . . . 472 L HN . 54003 1 363 . 1 . 1 99 99 LEU CA C 13 56.545 0.023 . 1 . . . . . 472 L CA . 54003 1 364 . 1 . 1 99 99 LEU CB C 13 42.070 0.019 . 1 . . . . . 472 L CB . 54003 1 365 . 1 . 1 99 99 LEU N N 15 122.140 0.024 . 1 . . . . . 472 L N . 54003 1 366 . 1 . 1 100 100 ASP H H 1 8.353 0.004 . 1 . . . . . 473 D HN . 54003 1 367 . 1 . 1 100 100 ASP CA C 13 55.440 0.004 . 1 . . . . . 473 D CA . 54003 1 368 . 1 . 1 100 100 ASP CB C 13 40.910 0.053 . 1 . . . . . 473 D CB . 54003 1 369 . 1 . 1 100 100 ASP N N 15 120.153 0.033 . 1 . . . . . 473 D N . 54003 1 370 . 1 . 1 101 101 ARG H H 1 8.017 0.006 . 1 . . . . . 474 R HN . 54003 1 371 . 1 . 1 101 101 ARG CA C 13 57.330 0.015 . 1 . . . . . 474 R CA . 54003 1 372 . 1 . 1 101 101 ARG CB C 13 30.524 0.063 . 1 . . . . . 474 R CB . 54003 1 373 . 1 . 1 101 101 ARG N N 15 120.040 0.027 . 1 . . . . . 474 R N . 54003 1 374 . 1 . 1 102 102 MET H H 1 8.149 0.008 . 1 . . . . . 475 M HN . 54003 1 375 . 1 . 1 102 102 MET CA C 13 56.260 0.016 . 1 . . . . . 475 M CA . 54003 1 376 . 1 . 1 102 102 MET CB C 13 32.715 0.046 . 1 . . . . . 475 M CB . 54003 1 377 . 1 . 1 102 102 MET N N 15 118.886 0.034 . 1 . . . . . 475 M N . 54003 1 378 . 1 . 1 103 103 THR H H 1 7.986 0.006 . 1 . . . . . 476 T HN . 54003 1 379 . 1 . 1 103 103 THR CA C 13 62.371 0.034 . 1 . . . . . 476 T CA . 54003 1 380 . 1 . 1 103 103 THR CB C 13 69.765 0.040 . 1 . . . . . 476 T CB . 54003 1 381 . 1 . 1 103 103 THR N N 15 114.280 0.034 . 1 . . . . . 476 T N . 54003 1 382 . 1 . 1 104 104 ARG H H 1 8.128 0.006 . 1 . . . . . 477 R HN . 54003 1 383 . 1 . 1 104 104 ARG CA C 13 55.964 0.009 . 1 . . . . . 477 R CA . 54003 1 384 . 1 . 1 104 104 ARG CB C 13 30.925 0.086 . 1 . . . . . 477 R CB . 54003 1 385 . 1 . 1 104 104 ARG N N 15 123.675 0.032 . 1 . . . . . 477 R N . 54003 1 386 . 1 . 1 105 105 LYS H H 1 8.448 0.005 . 1 . . . . . 478 K HN . 54003 1 387 . 1 . 1 105 105 LYS CA C 13 54.463 0.000 . 1 . . . . . 478 K CA . 54003 1 388 . 1 . 1 105 105 LYS CB C 13 32.377 0.059 . 1 . . . . . 478 K CB . 54003 1 389 . 1 . 1 105 105 LYS N N 15 124.721 0.036 . 1 . . . . . 478 K N . 54003 1 390 . 1 . 1 106 106 PRO CA C 13 63.290 0.078 . 1 . . . . . 479 P CA . 54003 1 391 . 1 . 1 106 106 PRO CB C 13 32.024 0.015 . 1 . . . . . 479 P CB . 54003 1 392 . 1 . 1 107 107 ASP H H 1 8.452 0.005 . 1 . . . . . 480 D HN . 54003 1 393 . 1 . 1 107 107 ASP CA C 13 54.666 0.019 . 1 . . . . . 480 D CA . 54003 1 394 . 1 . 1 107 107 ASP CB C 13 41.061 0.045 . 1 . . . . . 480 D CB . 54003 1 395 . 1 . 1 107 107 ASP N N 15 120.374 0.045 . 1 . . . . . 480 D N . 54003 1 396 . 1 . 1 108 108 SER H H 1 8.189 0.004 . 1 . . . . . 481 S HN . 54003 1 397 . 1 . 1 108 108 SER CA C 13 58.630 0.060 . 1 . . . . . 481 S CA . 54003 1 398 . 1 . 1 108 108 SER CB C 13 63.884 0.028 . 1 . . . . . 481 S CB . 54003 1 399 . 1 . 1 108 108 SER N N 15 115.567 0.041 . 1 . . . . . 481 S N . 54003 1 400 . 1 . 1 109 109 MET H H 1 8.374 0.004 . 1 . . . . . 482 M HN . 54003 1 401 . 1 . 1 109 109 MET CA C 13 55.718 0.007 . 1 . . . . . 482 M CA . 54003 1 402 . 1 . 1 109 109 MET CB C 13 32.814 0.109 . 1 . . . . . 482 M CB . 54003 1 403 . 1 . 1 109 109 MET N N 15 122.048 0.045 . 1 . . . . . 482 M N . 54003 1 404 . 1 . 1 110 110 VAL H H 1 8.097 0.005 . 1 . . . . . 483 V HN . 54003 1 405 . 1 . 1 110 110 VAL CA C 13 62.600 0.029 . 1 . . . . . 483 V CA . 54003 1 406 . 1 . 1 110 110 VAL CB C 13 32.985 0.016 . 1 . . . . . 483 V CB . 54003 1 407 . 1 . 1 110 110 VAL N N 15 121.359 0.045 . 1 . . . . . 483 V N . 54003 1 408 . 1 . 1 111 111 THR H H 1 8.255 0.004 . 1 . . . . . 484 T HN . 54003 1 409 . 1 . 1 111 111 THR CA C 13 61.687 0.015 . 1 . . . . . 484 T CA . 54003 1 410 . 1 . 1 111 111 THR CB C 13 69.912 0.026 . 1 . . . . . 484 T CB . 54003 1 411 . 1 . 1 111 111 THR N N 15 117.923 0.069 . 1 . . . . . 484 T N . 54003 1 412 . 1 . 1 112 112 ASN H H 1 8.490 0.005 . 1 . . . . . 485 N HN . 54003 1 413 . 1 . 1 112 112 ASN CA C 13 53.303 0.029 . 1 . . . . . 485 N CA . 54003 1 414 . 1 . 1 112 112 ASN CB C 13 39.066 0.061 . 1 . . . . . 485 N CB . 54003 1 415 . 1 . 1 112 112 ASN N N 15 121.500 0.078 . 1 . . . . . 485 N N . 54003 1 416 . 1 . 1 113 113 SER H H 1 8.388 0.005 . 1 . . . . . 486 S HN . 54003 1 417 . 1 . 1 113 113 SER CA C 13 58.540 0.032 . 1 . . . . . 486 S CA . 54003 1 418 . 1 . 1 113 113 SER CB C 13 63.872 0.004 . 1 . . . . . 486 S CB . 54003 1 419 . 1 . 1 113 113 SER N N 15 116.572 0.055 . 1 . . . . . 486 S N . 54003 1 420 . 1 . 1 114 114 SER H H 1 8.452 0.006 . 1 . . . . . 487 S HN . 54003 1 421 . 1 . 1 114 114 SER CA C 13 58.634 0.047 . 1 . . . . . 487 S CA . 54003 1 422 . 1 . 1 114 114 SER CB C 13 63.813 0.068 . 1 . . . . . 487 S CB . 54003 1 423 . 1 . 1 114 114 SER N N 15 118.065 0.057 . 1 . . . . . 487 S N . 54003 1 424 . 1 . 1 115 115 THR H H 1 8.216 0.005 . 1 . . . . . 488 T HN . 54003 1 425 . 1 . 1 115 115 THR CA C 13 62.101 0.077 . 1 . . . . . 488 T CA . 54003 1 426 . 1 . 1 115 115 THR CB C 13 69.675 0.073 . 1 . . . . . 488 T CB . 54003 1 427 . 1 . 1 115 115 THR N N 15 115.530 0.041 . 1 . . . . . 488 T N . 54003 1 428 . 1 . 1 116 116 GLU H H 1 8.358 0.005 . 1 . . . . . 489 E HN . 54003 1 429 . 1 . 1 116 116 GLU CA C 13 56.955 0.029 . 1 . . . . . 489 E CA . 54003 1 430 . 1 . 1 116 116 GLU CB C 13 30.228 0.093 . 1 . . . . . 489 E CB . 54003 1 431 . 1 . 1 116 116 GLU N N 15 122.745 0.055 . 1 . . . . . 489 E N . 54003 1 432 . 1 . 1 117 117 ASN H H 1 8.407 0.004 . 1 . . . . . 490 N HN . 54003 1 433 . 1 . 1 117 117 ASN CA C 13 53.479 0.039 . 1 . . . . . 490 N CA . 54003 1 434 . 1 . 1 117 117 ASN CB C 13 39.025 0.060 . 1 . . . . . 490 N CB . 54003 1 435 . 1 . 1 117 117 ASN N N 15 119.285 0.053 . 1 . . . . . 490 N N . 54003 1 436 . 1 . 1 118 118 GLU H H 1 8.382 0.004 . 1 . . . . . 491 E HN . 54003 1 437 . 1 . 1 118 118 GLU CA C 13 56.881 0.068 . 1 . . . . . 491 E CA . 54003 1 438 . 1 . 1 118 118 GLU CB C 13 30.192 0.060 . 1 . . . . . 491 E CB . 54003 1 439 . 1 . 1 118 118 GLU N N 15 121.665 0.034 . 1 . . . . . 491 E N . 54003 1 440 . 1 . 1 119 119 ALA H H 1 8.366 0.007 . 1 . . . . . 492 A HN . 54003 1 441 . 1 . 1 119 119 ALA CA C 13 52.906 0.132 . 1 . . . . . 492 A CA . 54003 1 442 . 1 . 1 119 119 ALA CB C 13 19.026 0.098 . 1 . . . . . 492 A CB . 54003 1 443 . 1 . 1 119 119 ALA N N 15 124.838 0.061 . 1 . . . . . 492 A N . 54003 1 444 . 1 . 1 120 120 GLY H H 1 8.344 0.005 . 1 . . . . . 493 G HN . 54003 1 445 . 1 . 1 120 120 GLY CA C 13 45.494 0.044 . 1 . . . . . 493 G CA . 54003 1 446 . 1 . 1 120 120 GLY N N 15 108.118 0.041 . 1 . . . . . 493 G N . 54003 1 447 . 1 . 1 121 121 SER H H 1 8.276 0.014 . 1 . . . . . 494 S HN . 54003 1 448 . 1 . 1 121 121 SER CA C 13 58.618 0.067 . 1 . . . . . 494 S CA . 54003 1 449 . 1 . 1 121 121 SER CB C 13 63.897 0.036 . 1 . . . . . 494 S CB . 54003 1 450 . 1 . 1 121 121 SER N N 15 115.720 0.047 . 1 . . . . . 494 S N . 54003 1 451 . 1 . 1 122 122 GLY H H 1 8.550 0.005 . 1 . . . . . 495 G HN . 54003 1 452 . 1 . 1 122 122 GLY CA C 13 45.520 0.025 . 1 . . . . . 495 G CA . 54003 1 453 . 1 . 1 122 122 GLY N N 15 111.130 0.054 . 1 . . . . . 495 G N . 54003 1 454 . 1 . 1 123 123 SER H H 1 8.261 0.005 . 1 . . . . . 496 S HN . 54003 1 455 . 1 . 1 123 123 SER N N 15 115.741 0.044 . 1 . . . . . 496 S N . 54003 1 stop_ save_