################################### # 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 50750 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' . . . 50750 1 2 '3D HNCACB' . . . 50750 1 3 '3D HNCO' . . . 50750 1 4 'Expt_7 (H[N[co[{CA|ca[C]}]]])' . . . 50750 1 5 'Expt_14 (H[N[ca[CO]]])' . . . 50750 1 6 '3D HNCACB' . . . 50750 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 . . 50750 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 3 3 GLU C C 13 176.164 . . 1 . . 200 . . 3 GLU C . 50750 1 2 . 1 . 1 3 3 GLU CA C 13 56.459 . . 1 . . 592 . . 3 GLU CA . 50750 1 3 . 1 . 1 3 3 GLU CB C 13 30.455 . . 1 . . 593 . . 3 GLU CB . 50750 1 4 . 1 . 1 4 4 GLN H H 1 8.530 0.003 . 1 . . 377 . . 4 GLN H . 50750 1 5 . 1 . 1 4 4 GLN HE21 H 1 7.623 0.001 . 1 . . 13 . . 4 GLN HE21 . 50750 1 6 . 1 . 1 4 4 GLN HE22 H 1 6.910 0.001 . 1 . . 403 . . 4 GLN HE22 . 50750 1 7 . 1 . 1 4 4 GLN C C 13 175.791 0.043 . 1 . . 746 . . 4 GLN C . 50750 1 8 . 1 . 1 4 4 GLN CA C 13 55.542 0.036 . 1 . . 1013 . . 4 GLN CA . 50750 1 9 . 1 . 1 4 4 GLN CB C 13 29.796 0.034 . 1 . . 888 . . 4 GLN CB . 50750 1 10 . 1 . 1 4 4 GLN CD C 13 180.694 0.015 . 1 . . 14 . . 4 GLN CD . 50750 1 11 . 1 . 1 4 4 GLN N N 15 121.047 0.006 . 1 . . 379 . . 4 GLN N . 50750 1 12 . 1 . 1 4 4 GLN NE2 N 15 112.874 0.006 . 1 . . 15 . . 4 GLN NE2 . 50750 1 13 . 1 . 1 5 5 LEU H H 1 8.379 0.003 . 1 . . 41 . . 5 LEU H . 50750 1 14 . 1 . 1 5 5 LEU C C 13 177.784 0.01 . 1 . . 892 . . 5 LEU C . 50750 1 15 . 1 . 1 5 5 LEU CA C 13 54.415 0.024 . 1 . . 916 . . 5 LEU CA . 50750 1 16 . 1 . 1 5 5 LEU CB C 13 43.704 0.03 . 1 . . 997 . . 5 LEU CB . 50750 1 17 . 1 . 1 5 5 LEU N N 15 123.522 0.006 . 1 . . 42 . . 5 LEU N . 50750 1 18 . 1 . 1 6 6 THR H H 1 8.857 0.001 . 1 . . 992 . . 6 THR H . 50750 1 19 . 1 . 1 6 6 THR C C 13 175.493 0.003 . 1 . . 996 . . 6 THR C . 50750 1 20 . 1 . 1 6 6 THR CA C 13 60.473 0.041 . 1 . . 596 . . 6 THR CA . 50750 1 21 . 1 . 1 6 6 THR CB C 13 71.417 0.074 . 1 . . 595 . . 6 THR CB . 50750 1 22 . 1 . 1 6 6 THR N N 15 113.110 0.014 . 1 . . 993 . . 6 THR N . 50750 1 23 . 1 . 1 7 7 GLU H H 1 9.101 0.002 . 1 . . 201 . . 7 GLU H . 50750 1 24 . 1 . 1 7 7 GLU C C 13 179.600 0.04 . 1 . . 594 . . 7 GLU C . 50750 1 25 . 1 . 1 7 7 GLU CA C 13 60.183 0.019 . 1 . . 617 . . 7 GLU CA . 50750 1 26 . 1 . 1 7 7 GLU CB C 13 29.293 0.006 . 1 . . 618 . . 7 GLU CB . 50750 1 27 . 1 . 1 7 7 GLU N N 15 120.446 0.007 . 1 . . 203 . . 7 GLU N . 50750 1 28 . 1 . 1 8 8 GLU H H 1 8.808 0.002 . 1 . . 230 . . 8 GLU H . 50750 1 29 . 1 . 1 8 8 GLU C C 13 179.378 . . 1 . . 616 . . 8 GLU C . 50750 1 30 . 1 . 1 8 8 GLU CA C 13 60.173 . . 1 . . 909 . . 8 GLU CA . 50750 1 31 . 1 . 1 8 8 GLU CB C 13 29.244 . . 1 . . 910 . . 8 GLU CB . 50750 1 32 . 1 . 1 8 8 GLU N N 15 119.732 0.018 . 1 . . 232 . . 8 GLU N . 50750 1 33 . 1 . 1 9 9 GLN HE21 H 1 7.582 0.0 . 1 . . 255 . . 9 GLN HE21 . 50750 1 34 . 1 . 1 9 9 GLN HE22 H 1 6.818 0.001 . 1 . . 256 . . 9 GLN HE22 . 50750 1 35 . 1 . 1 9 9 GLN C C 13 178.521 . . 1 . . 140 . . 9 GLN C . 50750 1 36 . 1 . 1 9 9 GLN CA C 13 58.708 . . 1 . . 533 . . 9 GLN CA . 50750 1 37 . 1 . 1 9 9 GLN CB C 13 29.512 . . 1 . . 534 . . 9 GLN CB . 50750 1 38 . 1 . 1 9 9 GLN CD C 13 179.978 0.012 . 1 . . 1171 . . 9 GLN CD . 50750 1 39 . 1 . 1 9 9 GLN NE2 N 15 111.555 0.106 . 1 . . 257 . . 9 GLN NE2 . 50750 1 40 . 1 . 1 10 10 ILE H H 1 8.486 0.001 . 1 . . 139 . . 10 ILE H . 50750 1 41 . 1 . 1 10 10 ILE C C 13 177.796 0.009 . 1 . . 835 . . 10 ILE C . 50750 1 42 . 1 . 1 10 10 ILE CA C 13 66.382 0.052 . 1 . . 532 . . 10 ILE CA . 50750 1 43 . 1 . 1 10 10 ILE CB C 13 38.134 0.076 . 1 . . 510 . . 10 ILE CB . 50750 1 44 . 1 . 1 10 10 ILE N N 15 119.913 0.008 . 1 . . 141 . . 10 ILE N . 50750 1 45 . 1 . 1 11 11 ALA H H 1 8.044 0.001 . 1 . . 97 . . 11 ALA H . 50750 1 46 . 1 . 1 11 11 ALA C C 13 181.157 0.038 . 1 . . 827 . . 11 ALA C . 50750 1 47 . 1 . 1 11 11 ALA CA C 13 55.506 0.003 . 1 . . 612 . . 11 ALA CA . 50750 1 48 . 1 . 1 11 11 ALA CB C 13 17.814 0.059 . 1 . . 613 . . 11 ALA CB . 50750 1 49 . 1 . 1 11 11 ALA N N 15 121.286 0.005 . 1 . . 99 . . 11 ALA N . 50750 1 50 . 1 . 1 12 12 GLU H H 1 7.856 0.001 . 1 . . 221 . . 12 GLU H . 50750 1 51 . 1 . 1 12 12 GLU C C 13 180.648 0.029 . 1 . . 610 . . 12 GLU C . 50750 1 52 . 1 . 1 12 12 GLU CA C 13 59.511 0.039 . 1 . . 611 . . 12 GLU CA . 50750 1 53 . 1 . 1 12 12 GLU CB C 13 29.401 0.054 . 1 . . 551 . . 12 GLU CB . 50750 1 54 . 1 . 1 12 12 GLU N N 15 119.919 0.0 . 1 . . 222 . . 12 GLU N . 50750 1 55 . 1 . 1 13 13 PHE H H 1 8.648 0.001 . 1 . . 163 . . 13 PHE H . 50750 1 56 . 1 . 1 13 13 PHE C C 13 178.685 0.028 . 1 . . 842 . . 13 PHE C . 50750 1 57 . 1 . 1 13 13 PHE CA C 13 59.464 0.047 . 1 . . 899 . . 13 PHE CA . 50750 1 58 . 1 . 1 13 13 PHE CB C 13 38.102 0.009 . 1 . . 843 . . 13 PHE CB . 50750 1 59 . 1 . 1 13 13 PHE N N 15 120.297 0.007 . 1 . . 165 . . 13 PHE N . 50750 1 60 . 1 . 1 14 14 LYS H H 1 9.281 0.002 . 1 . . 353 . . 14 LYS H . 50750 1 61 . 1 . 1 14 14 LYS C C 13 179.417 . . 1 . . 725 . . 14 LYS C . 50750 1 62 . 1 . 1 14 14 LYS CA C 13 60.105 0.001 . 1 . . 727 . . 14 LYS CA . 50750 1 63 . 1 . 1 14 14 LYS CB C 13 31.961 0.046 . 1 . . 726 . . 14 LYS CB . 50750 1 64 . 1 . 1 14 14 LYS N N 15 123.803 0.014 . 1 . . 355 . . 14 LYS N . 50750 1 65 . 1 . 1 15 15 GLU H H 1 7.822 0.001 . 1 . . 1086 . . 15 GLU H . 50750 1 66 . 1 . 1 15 15 GLU C C 13 179.393 0.003 . 1 . . 114 . . 15 GLU C . 50750 1 67 . 1 . 1 15 15 GLU CA C 13 59.431 0.005 . 1 . . 521 . . 15 GLU CA . 50750 1 68 . 1 . 1 15 15 GLU CB C 13 29.055 0.025 . 1 . . 520 . . 15 GLU CB . 50750 1 69 . 1 . 1 15 15 GLU N N 15 120.490 0.016 . 1 . . 1087 . . 15 GLU N . 50750 1 70 . 1 . 1 16 16 ALA H H 1 8.057 0.001 . 1 . . 113 . . 16 ALA H . 50750 1 71 . 1 . 1 16 16 ALA C C 13 178.958 0.003 . 1 . . 830 . . 16 ALA C . 50750 1 72 . 1 . 1 16 16 ALA CA C 13 55.360 0.021 . 1 . . 733 . . 16 ALA CA . 50750 1 73 . 1 . 1 16 16 ALA CB C 13 18.212 0.048 . 1 . . 519 . . 16 ALA CB . 50750 1 74 . 1 . 1 16 16 ALA N N 15 122.690 0.004 . 1 . . 115 . . 16 ALA N . 50750 1 75 . 1 . 1 17 17 PHE H H 1 8.938 0.002 . 1 . . 362 . . 17 PHE H . 50750 1 76 . 1 . 1 17 17 PHE C C 13 176.974 0.003 . 1 . . 732 . . 17 PHE C . 50750 1 77 . 1 . 1 17 17 PHE CA C 13 62.140 0.028 . 1 . . 500 . . 17 PHE CA . 50750 1 78 . 1 . 1 17 17 PHE CB C 13 39.620 0.027 . 1 . . 501 . . 17 PHE CB . 50750 1 79 . 1 . 1 17 17 PHE N N 15 119.376 0.002 . 1 . . 364 . . 17 PHE N . 50750 1 80 . 1 . 1 18 18 SER H H 1 7.904 0.002 . 1 . . 84 . . 18 SER H . 50750 1 81 . 1 . 1 18 18 SER C C 13 175.446 . . 1 . . 1113 . . 18 SER C . 50750 1 82 . 1 . 1 18 18 SER CA C 13 61.532 0.013 . 1 . . 477 . . 18 SER CA . 50750 1 83 . 1 . 1 18 18 SER CB C 13 63.328 0.02 . 1 . . 476 . . 18 SER CB . 50750 1 84 . 1 . 1 18 18 SER N N 15 111.824 0.054 . 1 . . 86 . . 18 SER N . 50750 1 85 . 1 . 1 19 19 LEU H H 1 7.555 0.001 . 1 . . 54 . . 19 LEU H . 50750 1 86 . 1 . 1 19 19 LEU C C 13 178.446 0.006 . 1 . . 821 . . 19 LEU C . 50750 1 87 . 1 . 1 19 19 LEU CA C 13 57.290 0.047 . 1 . . 535 . . 19 LEU CA . 50750 1 88 . 1 . 1 19 19 LEU CB C 13 41.701 0.005 . 1 . . 478 . . 19 LEU CB . 50750 1 89 . 1 . 1 19 19 LEU N N 15 121.162 0.078 . 1 . . 56 . . 19 LEU N . 50750 1 90 . 1 . 1 20 20 PHE H H 1 7.593 0.002 . 1 . . 142 . . 20 PHE H . 50750 1 91 . 1 . 1 20 20 PHE C C 13 176.696 0.037 . 1 . . 836 . . 20 PHE C . 50750 1 92 . 1 . 1 20 20 PHE CA C 13 59.469 0.009 . 1 . . 1078 . . 20 PHE CA . 50750 1 93 . 1 . 1 20 20 PHE CB C 13 40.342 0.035 . 1 . . 756 . . 20 PHE CB . 50750 1 94 . 1 . 1 20 20 PHE N N 15 115.294 0.003 . 1 . . 144 . . 20 PHE N . 50750 1 95 . 1 . 1 21 21 ASP H H 1 7.849 0.002 . 1 . . 387 . . 21 ASP H . 50750 1 96 . 1 . 1 21 21 ASP C C 13 177.386 0.028 . 1 . . 1015 . . 21 ASP C . 50750 1 97 . 1 . 1 21 21 ASP CA C 13 52.641 0.035 . 1 . . 881 . . 21 ASP CA . 50750 1 98 . 1 . 1 21 21 ASP CB C 13 38.671 0.034 . 1 . . 766 . . 21 ASP CB . 50750 1 99 . 1 . 1 21 21 ASP N N 15 119.036 0.003 . 1 . . 389 . . 21 ASP N . 50750 1 100 . 1 . 1 22 22 LYS H H 1 7.712 0.002 . 1 . . 398 . . 22 LYS H . 50750 1 101 . 1 . 1 22 22 LYS C C 13 178.044 0.003 . 1 . . 763 . . 22 LYS C . 50750 1 102 . 1 . 1 22 22 LYS CA C 13 58.801 0.018 . 1 . . 522 . . 22 LYS CA . 50750 1 103 . 1 . 1 22 22 LYS CB C 13 32.685 0.091 . 1 . . 524 . . 22 LYS CB . 50750 1 104 . 1 . 1 22 22 LYS N N 15 124.502 0.003 . 1 . . 399 . . 22 LYS N . 50750 1 105 . 1 . 1 23 23 ASP H H 1 8.065 0.001 . 1 . . 116 . . 23 ASP H . 50750 1 106 . 1 . 1 23 23 ASP C C 13 177.652 0.013 . 1 . . 831 . . 23 ASP C . 50750 1 107 . 1 . 1 23 23 ASP CA C 13 52.819 0.082 . 1 . . 657 . . 23 ASP CA . 50750 1 108 . 1 . 1 23 23 ASP CB C 13 39.276 . . 1 . . 523 . . 23 ASP CB . 50750 1 109 . 1 . 1 23 23 ASP N N 15 113.768 0.001 . 1 . . 118 . . 23 ASP N . 50750 1 110 . 1 . 1 24 24 GLY H H 1 7.701 0.004 . 1 . . 276 . . 24 GLY H . 50750 1 111 . 1 . 1 24 24 GLY C C 13 175.110 0.001 . 1 . . 1007 . . 24 GLY C . 50750 1 112 . 1 . 1 24 24 GLY CA C 13 47.247 0.008 . 1 . . 499 . . 24 GLY CA . 50750 1 113 . 1 . 1 24 24 GLY N N 15 109.179 0.001 . 1 . . 278 . . 24 GLY N . 50750 1 114 . 1 . 1 25 25 ASP H H 1 8.323 0.001 . 1 . . 81 . . 25 ASP H . 50750 1 115 . 1 . 1 25 25 ASP C C 13 177.582 0.019 . 1 . . 801 . . 25 ASP C . 50750 1 116 . 1 . 1 25 25 ASP CA C 13 53.639 0.082 . 1 . . 497 . . 25 ASP CA . 50750 1 117 . 1 . 1 25 25 ASP CB C 13 40.540 . . 1 . . 498 . . 25 ASP CB . 50750 1 118 . 1 . 1 25 25 ASP N N 15 120.209 0.006 . 1 . . 83 . . 25 ASP N . 50750 1 119 . 1 . 1 26 26 GLY H H 1 10.663 0.0 . 1 . . 303 . . 26 GLY H . 50750 1 120 . 1 . 1 26 26 GLY C C 13 173.984 . . 1 . . 1114 . . 26 GLY C . 50750 1 121 . 1 . 1 26 26 GLY CA C 13 45.639 0.018 . 1 . . 861 . . 26 GLY CA . 50750 1 122 . 1 . 1 26 26 GLY N N 15 113.118 0.012 . 1 . . 305 . . 26 GLY N . 50750 1 123 . 1 . 1 27 27 CYS H H 1 8.116 0.003 . 1 . . 1 . . 27 CYS H . 50750 1 124 . 1 . 1 27 27 CYS C C 13 172.697 0.027 . 1 . . 796 . . 27 CYS C . 50750 1 125 . 1 . 1 27 27 CYS CA C 13 55.814 0.012 . 1 . . 834 . . 27 CYS CA . 50750 1 126 . 1 . 1 27 27 CYS CB C 13 31.466 . . 1 . . 435 . . 27 CYS CB . 50750 1 127 . 1 . 1 27 27 CYS N N 15 116.844 0.003 . 1 . . 3 . . 27 CYS N . 50750 1 128 . 1 . 1 28 28 ILE H H 1 9.960 0.003 . 1 . . 133 . . 28 ILE H . 50750 1 129 . 1 . 1 28 28 ILE C C 13 176.055 . . 1 . . 254 . . 28 ILE C . 50750 1 130 . 1 . 1 28 28 ILE CA C 13 59.840 0.054 . 1 . . 530 . . 28 ILE CA . 50750 1 131 . 1 . 1 28 28 ILE CB C 13 39.466 0.018 . 1 . . 640 . . 28 ILE CB . 50750 1 132 . 1 . 1 28 28 ILE N N 15 126.166 0.001 . 1 . . 135 . . 28 ILE N . 50750 1 133 . 1 . 1 29 29 THR H H 1 8.584 0.003 . 1 . . 969 . . 29 THR H . 50750 1 134 . 1 . 1 29 29 THR C C 13 176.484 0.011 . 1 . . 972 . . 29 THR C . 50750 1 135 . 1 . 1 29 29 THR CA C 13 59.815 0.025 . 1 . . 928 . . 29 THR CA . 50750 1 136 . 1 . 1 29 29 THR CB C 13 72.442 0.027 . 1 . . 929 . . 29 THR CB . 50750 1 137 . 1 . 1 29 29 THR N N 15 116.996 0.019 . 1 . . 970 . . 29 THR N . 50750 1 138 . 1 . 1 30 30 THR H H 1 9.098 0.003 . 1 . . 925 . . 30 THR H . 50750 1 139 . 1 . 1 30 30 THR C C 13 177.065 . . 1 . . 1115 . . 30 THR C . 50750 1 140 . 1 . 1 30 30 THR CA C 13 66.867 0.055 . 1 . . 1030 . . 30 THR CA . 50750 1 141 . 1 . 1 30 30 THR CB C 13 68.077 0.019 . 1 . . 930 . . 30 THR CB . 50750 1 142 . 1 . 1 30 30 THR N N 15 113.141 0.046 . 1 . . 926 . . 30 THR N . 50750 1 143 . 1 . 1 31 31 LYS H H 1 7.759 0.002 . 1 . . 1025 . . 31 LYS H . 50750 1 144 . 1 . 1 31 31 LYS C C 13 180.057 0.017 . 1 . . 1028 . . 31 LYS C . 50750 1 145 . 1 . 1 31 31 LYS CA C 13 59.325 0.025 . 1 . . 1029 . . 31 LYS CA . 50750 1 146 . 1 . 1 31 31 LYS CB C 13 32.582 0.029 . 1 . . 1021 . . 31 LYS CB . 50750 1 147 . 1 . 1 31 31 LYS N N 15 120.690 0.006 . 1 . . 1026 . . 31 LYS N . 50750 1 148 . 1 . 1 32 32 GLU H H 1 7.700 0.002 . 1 . . 943 . . 32 GLU H . 50750 1 149 . 1 . 1 32 32 GLU C C 13 179.315 0.042 . 1 . . 946 . . 32 GLU C . 50750 1 150 . 1 . 1 32 32 GLU CA C 13 59.189 0.086 . 1 . . 642 . . 32 GLU CA . 50750 1 151 . 1 . 1 32 32 GLU CB C 13 30.039 0.046 . 1 . . 947 . . 32 GLU CB . 50750 1 152 . 1 . 1 32 32 GLU N N 15 121.020 0.006 . 1 . . 944 . . 32 GLU N . 50750 1 153 . 1 . 1 33 33 LEU H H 1 8.907 0.003 . 1 . . 258 . . 33 LEU H . 50750 1 154 . 1 . 1 33 33 LEU C C 13 178.884 0.017 . 1 . . 315 . . 33 LEU C . 50750 1 155 . 1 . 1 33 33 LEU CA C 13 57.740 0.039 . 1 . . 965 . . 33 LEU CA . 50750 1 156 . 1 . 1 33 33 LEU CB C 13 42.329 . . 1 . . 964 . . 33 LEU CB . 50750 1 157 . 1 . 1 33 33 LEU N N 15 121.210 0.004 . 1 . . 260 . . 33 LEU N . 50750 1 158 . 1 . 1 34 34 GLY H H 1 8.576 0.003 . 1 . . 960 . . 34 GLY H . 50750 1 159 . 1 . 1 34 34 GLY C C 13 175.233 0.037 . 1 . . 963 . . 34 GLY C . 50750 1 160 . 1 . 1 34 34 GLY CA C 13 48.448 0.021 . 1 . . 940 . . 34 GLY CA . 50750 1 161 . 1 . 1 34 34 GLY N N 15 106.278 0.019 . 1 . . 961 . . 34 GLY N . 50750 1 162 . 1 . 1 35 35 THR H H 1 7.773 0.002 . 1 . . 938 . . 35 THR H . 50750 1 163 . 1 . 1 35 35 THR C C 13 177.195 . . 1 . . 1117 . . 35 THR C . 50750 1 164 . 1 . 1 35 35 THR CA C 13 66.850 . . 1 . . 531 . . 35 THR CA . 50750 1 165 . 1 . 1 35 35 THR CB C 13 68.649 . . 1 . . 941 . . 35 THR CB . 50750 1 166 . 1 . 1 35 35 THR N N 15 117.692 0.018 . 1 . . 939 . . 35 THR N . 50750 1 167 . 1 . 1 36 36 VAL H H 1 7.603 0.001 . 1 . . 136 . . 36 VAL H . 50750 1 168 . 1 . 1 36 36 VAL C C 13 179.370 0.015 . 1 . . 795 . . 36 VAL C . 50750 1 169 . 1 . 1 36 36 VAL CA C 13 66.020 0.009 . 1 . . 912 . . 36 VAL CA . 50750 1 170 . 1 . 1 36 36 VAL CB C 13 31.380 0.044 . 1 . . 913 . . 36 VAL CB . 50750 1 171 . 1 . 1 36 36 VAL N N 15 122.293 0.001 . 1 . . 138 . . 36 VAL N . 50750 1 172 . 1 . 1 37 37 MET H H 1 8.478 0.002 . 1 . . 300 . . 37 MET H . 50750 1 173 . 1 . 1 37 37 MET C C 13 179.293 . . 1 . . 877 . . 37 MET C . 50750 1 174 . 1 . 1 37 37 MET CA C 13 58.858 0.019 . 1 . . 677 . . 37 MET CA . 50750 1 175 . 1 . 1 37 37 MET CB C 13 31.097 0.024 . 1 . . 707 . . 37 MET CB . 50750 1 176 . 1 . 1 37 37 MET N N 15 118.373 0.006 . 1 . . 302 . . 37 MET N . 50750 1 177 . 1 . 1 38 38 ARG H H 1 8.529 0.002 . 1 . . 336 . . 38 ARG H . 50750 1 178 . 1 . 1 38 38 ARG C C 13 181.356 0.024 . 1 . . 705 . . 38 ARG C . 50750 1 179 . 1 . 1 38 38 ARG CA C 13 59.141 0.014 . 1 . . 680 . . 38 ARG CA . 50750 1 180 . 1 . 1 38 38 ARG CB C 13 30.139 0.005 . 1 . . 706 . . 38 ARG CB . 50750 1 181 . 1 . 1 38 38 ARG N N 15 119.589 0.007 . 1 . . 338 . . 38 ARG N . 50750 1 182 . 1 . 1 39 39 SER H H 1 7.935 0.001 . 1 . . 306 . . 39 SER H . 50750 1 183 . 1 . 1 39 39 SER C C 13 175.071 . . 1 . . 1119 . . 39 SER C . 50750 1 184 . 1 . 1 39 39 SER CA C 13 61.574 0.069 . 1 . . 444 . . 39 SER CA . 50750 1 185 . 1 . 1 39 39 SER CB C 13 62.761 0.087 . 1 . . 443 . . 39 SER CB . 50750 1 186 . 1 . 1 39 39 SER N N 15 119.084 0.008 . 1 . . 308 . . 39 SER N . 50750 1 187 . 1 . 1 40 40 LEU H H 1 7.391 0.003 . 1 . . 16 . . 40 LEU H . 50750 1 188 . 1 . 1 40 40 LEU C C 13 177.561 0.015 . 1 . . 799 . . 40 LEU C . 50750 1 189 . 1 . 1 40 40 LEU CA C 13 54.553 0.011 . 1 . . 445 . . 40 LEU CA . 50750 1 190 . 1 . 1 40 40 LEU CB C 13 42.044 . . 1 . . 545 . . 40 LEU CB . 50750 1 191 . 1 . 1 40 40 LEU N N 15 121.026 0.005 . 1 . . 18 . . 40 LEU N . 50750 1 192 . 1 . 1 41 41 GLY H H 1 7.925 0.001 . 1 . . 154 . . 41 GLY H . 50750 1 193 . 1 . 1 41 41 GLY C C 13 174.417 0.004 . 1 . . 805 . . 41 GLY C . 50750 1 194 . 1 . 1 41 41 GLY CA C 13 45.601 0.042 . 1 . . 959 . . 41 GLY CA . 50750 1 195 . 1 . 1 41 41 GLY N N 15 107.115 0.003 . 1 . . 156 . . 41 GLY N . 50750 1 196 . 1 . 1 42 42 GLN H H 1 7.845 0.001 . 1 . . 384 . . 42 GLN H . 50750 1 197 . 1 . 1 42 42 GLN HE21 H 1 6.751 0.0 . 1 . . 172 . . 42 GLN HE21 . 50750 1 198 . 1 . 1 42 42 GLN HE22 H 1 7.421 0.001 . 1 . . 193 . . 42 GLN HE22 . 50750 1 199 . 1 . 1 42 42 GLN C C 13 174.142 0.008 . 1 . . 880 . . 42 GLN C . 50750 1 200 . 1 . 1 42 42 GLN CA C 13 54.447 0.07 . 1 . . 747 . . 42 GLN CA . 50750 1 201 . 1 . 1 42 42 GLN CB C 13 30.720 . . 1 . . 754 . . 42 GLN CB . 50750 1 202 . 1 . 1 42 42 GLN CD C 13 179.175 0.0 . 1 . . 1104 . . 42 GLN CD . 50750 1 203 . 1 . 1 42 42 GLN N N 15 118.632 0.003 . 1 . . 386 . . 42 GLN N . 50750 1 204 . 1 . 1 42 42 GLN NE2 N 15 111.364 0.011 . 1 . . 173 . . 42 GLN NE2 . 50750 1 205 . 1 . 1 43 43 ASN H H 1 8.787 0.003 . 1 . . 1180 . . 43 ASN H . 50750 1 206 . 1 . 1 43 43 ASN HD21 H 1 7.613 0.003 . 1 . . 128 . . 43 ASN HD21 . 50750 1 207 . 1 . 1 43 43 ASN HD22 H 1 6.770 0.001 . 1 . . 294 . . 43 ASN HD22 . 50750 1 208 . 1 . 1 43 43 ASN C C 13 171.930 . . 1 . . 1182 . . 43 ASN C . 50750 1 209 . 1 . 1 43 43 ASN CA C 13 51.200 . . 1 . . 1183 . . 43 ASN CA . 50750 1 210 . 1 . 1 43 43 ASN CG C 13 178.258 0.009 . 1 . . 1024 . . 43 ASN CG . 50750 1 211 . 1 . 1 43 43 ASN N N 15 116.239 0.032 . 1 . . 1181 . . 43 ASN N . 50750 1 212 . 1 . 1 43 43 ASN ND2 N 15 112.348 0.003 . 1 . . 130 . . 43 ASN ND2 . 50750 1 213 . 1 . 1 44 44 PRO C C 13 177.809 . . 1 . . 807 . . 44 PRO C . 50750 1 214 . 1 . 1 44 44 PRO CA C 13 62.378 . . 1 . . 487 . . 44 PRO CA . 50750 1 215 . 1 . 1 44 44 PRO CB C 13 32.132 . . 1 . . 488 . . 44 PRO CB . 50750 1 216 . 1 . 1 45 45 THR H H 1 8.826 0.002 . 1 . . 68 . . 45 THR H . 50750 1 217 . 1 . 1 45 45 THR C C 13 175.187 0.039 . 1 . . 69 . . 45 THR C . 50750 1 218 . 1 . 1 45 45 THR CA C 13 60.583 0.017 . 1 . . 493 . . 45 THR CA . 50750 1 219 . 1 . 1 45 45 THR CB C 13 71.219 0.029 . 1 . . 492 . . 45 THR CB . 50750 1 220 . 1 . 1 45 45 THR N N 15 113.185 0.029 . 1 . . 70 . . 45 THR N . 50750 1 221 . 1 . 1 46 46 GLU H H 1 8.863 0.002 . 1 . . 74 . . 46 GLU H . 50750 1 222 . 1 . 1 46 46 GLU C C 13 178.947 0.015 . 1 . . 808 . . 46 GLU C . 50750 1 223 . 1 . 1 46 46 GLU CA C 13 60.144 0.084 . 1 . . 490 . . 46 GLU CA . 50750 1 224 . 1 . 1 46 46 GLU CB C 13 29.024 0.076 . 1 . . 491 . . 46 GLU CB . 50750 1 225 . 1 . 1 46 46 GLU N N 15 120.869 0.062 . 1 . . 76 . . 46 GLU N . 50750 1 226 . 1 . 1 47 47 ALA H H 1 8.347 0.001 . 1 . . 268 . . 47 ALA H . 50750 1 227 . 1 . 1 47 47 ALA C C 13 180.355 0.038 . 1 . . 875 . . 47 ALA C . 50750 1 228 . 1 . 1 47 47 ALA CA C 13 55.145 0.031 . 1 . . 986 . . 47 ALA CA . 50750 1 229 . 1 . 1 47 47 ALA CB C 13 18.315 0.069 . 1 . . 987 . . 47 ALA CB . 50750 1 230 . 1 . 1 47 47 ALA N N 15 120.888 0.017 . 1 . . 270 . . 47 ALA N . 50750 1 231 . 1 . 1 48 48 GLU H H 1 7.750 0.005 . 1 . . 87 . . 48 GLU H . 50750 1 232 . 1 . 1 48 48 GLU C C 13 180.462 . . 1 . . 88 . . 48 GLU C . 50750 1 233 . 1 . 1 48 48 GLU CA C 13 59.077 0.015 . 1 . . 502 . . 48 GLU CA . 50750 1 234 . 1 . 1 48 48 GLU CB C 13 29.687 0.037 . 1 . . 781 . . 48 GLU CB . 50750 1 235 . 1 . 1 48 48 GLU N N 15 118.607 0.015 . 1 . . 89 . . 48 GLU N . 50750 1 236 . 1 . 1 49 49 LEU H H 1 8.295 0.001 . 1 . . 413 . . 49 LEU H . 50750 1 237 . 1 . 1 49 49 LEU C C 13 178.530 0.03 . 1 . . 779 . . 49 LEU C . 50750 1 238 . 1 . 1 49 49 LEU CA C 13 58.075 0.027 . 1 . . 464 . . 49 LEU CA . 50750 1 239 . 1 . 1 49 49 LEU CB C 13 42.427 0.026 . 1 . . 463 . . 49 LEU CB . 50750 1 240 . 1 . 1 49 49 LEU N N 15 121.016 0.017 . 1 . . 415 . . 49 LEU N . 50750 1 241 . 1 . 1 50 50 GLN H H 1 8.245 0.001 . 1 . . 32 . . 50 GLN H . 50750 1 242 . 1 . 1 50 50 GLN C C 13 179.331 0.024 . 1 . . 818 . . 50 GLN C . 50750 1 243 . 1 . 1 50 50 GLN CA C 13 58.956 0.039 . 1 . . 467 . . 50 GLN CA . 50750 1 244 . 1 . 1 50 50 GLN CB C 13 28.054 0.036 . 1 . . 468 . . 50 GLN CB . 50750 1 245 . 1 . 1 50 50 GLN N N 15 118.133 0.018 . 1 . . 34 . . 50 GLN N . 50750 1 246 . 1 . 1 51 51 ASP H H 1 8.156 0.002 . 1 . . 38 . . 51 ASP H . 50750 1 247 . 1 . 1 51 51 ASP C C 13 178.663 0.012 . 1 . . 819 . . 51 ASP C . 50750 1 248 . 1 . 1 51 51 ASP CA C 13 57.315 0.051 . 1 . . 698 . . 51 ASP CA . 50750 1 249 . 1 . 1 51 51 ASP CB C 13 40.255 0.029 . 1 . . 699 . . 51 ASP CB . 50750 1 250 . 1 . 1 51 51 ASP N N 15 120.838 0.064 . 1 . . 40 . . 51 ASP N . 50750 1 251 . 1 . 1 52 52 MET H H 1 8.038 0.001 . 1 . . 328 . . 52 MET H . 50750 1 252 . 1 . 1 52 52 MET C C 13 178.465 0.0 . 1 . . 696 . . 52 MET C . 50750 1 253 . 1 . 1 52 52 MET CA C 13 59.434 0.006 . 1 . . 697 . . 52 MET CA . 50750 1 254 . 1 . 1 52 52 MET CB C 13 33.407 0.041 . 1 . . 624 . . 52 MET CB . 50750 1 255 . 1 . 1 52 52 MET N N 15 120.207 0.013 . 1 . . 330 . . 52 MET N . 50750 1 256 . 1 . 1 53 53 ILE H H 1 7.774 0.002 . 1 . . 239 . . 53 ILE H . 50750 1 257 . 1 . 1 53 53 ILE C C 13 177.889 0.001 . 1 . . 855 . . 53 ILE C . 50750 1 258 . 1 . 1 53 53 ILE CA C 13 65.426 0.021 . 1 . . 687 . . 53 ILE CA . 50750 1 259 . 1 . 1 53 53 ILE CB C 13 37.631 0.072 . 1 . . 623 . . 53 ILE CB . 50750 1 260 . 1 . 1 53 53 ILE N N 15 117.076 0.01 . 1 . . 241 . . 53 ILE N . 50750 1 261 . 1 . 1 54 54 SER H H 1 8.347 0.003 . 1 . . 319 . . 54 SER H . 50750 1 262 . 1 . 1 54 54 SER C C 13 176.356 . . 1 . . 1122 . . 54 SER C . 50750 1 263 . 1 . 1 54 54 SER CA C 13 61.844 0.026 . 1 . . 485 . . 54 SER CA . 50750 1 264 . 1 . 1 54 54 SER CB C 13 63.142 0.047 . 1 . . 484 . . 54 SER CB . 50750 1 265 . 1 . 1 54 54 SER N N 15 114.236 0.0 . 1 . . 321 . . 54 SER N . 50750 1 266 . 1 . 1 55 55 GLU H H 1 7.490 0.002 . 1 . . 63 . . 55 GLU H . 50750 1 267 . 1 . 1 55 55 GLU C C 13 177.859 0.032 . 1 . . 823 . . 55 GLU C . 50750 1 268 . 1 . 1 55 55 GLU CA C 13 58.951 0.078 . 1 . . 483 . . 55 GLU CA . 50750 1 269 . 1 . 1 55 55 GLU CB C 13 30.383 0.084 . 1 . . 620 . . 55 GLU CB . 50750 1 270 . 1 . 1 55 55 GLU N N 15 117.895 0.007 . 1 . . 65 . . 55 GLU N . 50750 1 271 . 1 . 1 56 56 VAL H H 1 7.201 0.002 . 1 . . 233 . . 56 VAL H . 50750 1 272 . 1 . 1 56 56 VAL C C 13 175.970 0.007 . 1 . . 619 . . 56 VAL C . 50750 1 273 . 1 . 1 56 56 VAL CA C 13 60.470 0.003 . 1 . . 517 . . 56 VAL CA . 50750 1 274 . 1 . 1 56 56 VAL CB C 13 32.652 0.055 . 1 . . 518 . . 56 VAL CB . 50750 1 275 . 1 . 1 56 56 VAL N N 15 106.181 0.014 . 1 . . 235 . . 56 VAL N . 50750 1 276 . 1 . 1 57 57 ASP H H 1 7.615 0.002 . 1 . . 110 . . 57 ASP H . 50750 1 277 . 1 . 1 57 57 ASP C C 13 176.767 0.018 . 1 . . 829 . . 57 ASP C . 50750 1 278 . 1 . 1 57 57 ASP CA C 13 53.369 0.033 . 1 . . 851 . . 57 ASP CA . 50750 1 279 . 1 . 1 57 57 ASP CB C 13 39.837 0.032 . 1 . . 516 . . 57 ASP CB . 50750 1 280 . 1 . 1 57 57 ASP N N 15 122.335 0.001 . 1 . . 112 . . 57 ASP N . 50750 1 281 . 1 . 1 58 58 ALA H H 1 8.400 0.003 . 1 . . 218 . . 58 ALA H . 50750 1 282 . 1 . 1 58 58 ALA C C 13 178.670 0.019 . 1 . . 609 . . 58 ALA C . 50750 1 283 . 1 . 1 58 58 ALA CA C 13 54.905 0.025 . 1 . . 865 . . 58 ALA CA . 50750 1 284 . 1 . 1 58 58 ALA CB C 13 19.166 0.013 . 1 . . 466 . . 58 ALA CB . 50750 1 285 . 1 . 1 58 58 ALA N N 15 132.402 0.018 . 1 . . 1169 . . 58 ALA N . 50750 1 286 . 1 . 1 59 59 ASP H H 1 8.056 0.003 . 1 . . 35 . . 59 ASP H . 50750 1 287 . 1 . 1 59 59 ASP C C 13 175.830 0.002 . 1 . . 803 . . 59 ASP C . 50750 1 288 . 1 . 1 59 59 ASP CA C 13 52.597 0.056 . 1 . . 460 . . 59 ASP CA . 50750 1 289 . 1 . 1 59 59 ASP CB C 13 39.172 0.075 . 1 . . 461 . . 59 ASP CB . 50750 1 290 . 1 . 1 59 59 ASP N N 15 113.554 0.08 . 1 . . 37 . . 59 ASP N . 50750 1 291 . 1 . 1 60 60 GLN H H 1 7.740 0.002 . 1 . . 29 . . 60 GLN H . 50750 1 292 . 1 . 1 60 60 GLN HE21 H 1 6.816 . . 1 . . 100 . . 60 GLN HE21 . 50750 1 293 . 1 . 1 60 60 GLN HE22 H 1 7.610 0.0 . 1 . . 189 . . 60 GLN HE22 . 50750 1 294 . 1 . 1 60 60 GLN C C 13 175.298 0.024 . 1 . . 817 . . 60 GLN C . 50750 1 295 . 1 . 1 60 60 GLN CA C 13 57.285 0.006 . 1 . . 514 . . 60 GLN CA . 50750 1 296 . 1 . 1 60 60 GLN CB C 13 26.570 0.049 . 1 . . 462 . . 60 GLN CB . 50750 1 297 . 1 . 1 60 60 GLN CD C 13 181.472 0.0 . 1 . . 1174 . . 60 GLN CD . 50750 1 298 . 1 . 1 60 60 GLN N N 15 113.566 0.009 . 1 . . 31 . . 60 GLN N . 50750 1 299 . 1 . 1 60 60 GLN NE2 N 15 113.704 0.004 . 1 . . 101 . . 60 GLN NE2 . 50750 1 300 . 1 . 1 61 61 ASN H H 1 8.225 0.002 . 1 . . 103 . . 61 ASN H . 50750 1 301 . 1 . 1 61 61 ASN C C 13 177.328 0.012 . 1 . . 828 . . 61 ASN C . 50750 1 302 . 1 . 1 61 61 ASN CA C 13 52.143 0.002 . 1 . . 1082 . . 61 ASN CA . 50750 1 303 . 1 . 1 61 61 ASN CB C 13 38.303 0.001 . 1 . . 1081 . . 61 ASN CB . 50750 1 304 . 1 . 1 61 61 ASN N N 15 117.230 0.008 . 1 . . 105 . . 61 ASN N . 50750 1 305 . 1 . 1 62 62 GLY H H 1 10.793 0.003 . 1 . . 419 . . 62 GLY H . 50750 1 306 . 1 . 1 62 62 GLY C C 13 173.356 0.003 . 1 . . 1123 . . 62 GLY C . 50750 1 307 . 1 . 1 62 62 GLY CA C 13 45.695 0.037 . 1 . . 453 . . 62 GLY CA . 50750 1 308 . 1 . 1 62 62 GLY N N 15 114.096 0.01 . 1 . . 421 . . 62 GLY N . 50750 1 309 . 1 . 1 63 63 THR H H 1 7.679 0.001 . 1 . . 22 . . 63 THR H . 50750 1 310 . 1 . 1 63 63 THR C C 13 173.291 . . 1 . . 866 . . 63 THR C . 50750 1 311 . 1 . 1 63 63 THR CA C 13 59.344 0.013 . 1 . . 557 . . 63 THR CA . 50750 1 312 . 1 . 1 63 63 THR CB C 13 72.625 0.028 . 1 . . 559 . . 63 THR CB . 50750 1 313 . 1 . 1 63 63 THR N N 15 109.082 0.012 . 1 . . 23 . . 63 THR N . 50750 1 314 . 1 . 1 64 64 ILE H H 1 9.052 0.003 . 1 . . 170 . . 64 ILE H . 50750 1 315 . 1 . 1 64 64 ILE C C 13 175.747 0.023 . 1 . . 1000 . . 64 ILE C . 50750 1 316 . 1 . 1 64 64 ILE CA C 13 59.389 0.006 . 1 . . 577 . . 64 ILE CA . 50750 1 317 . 1 . 1 64 64 ILE CB C 13 39.798 . . 1 . . 558 . . 64 ILE CB . 50750 1 318 . 1 . 1 64 64 ILE N N 15 123.453 0.006 . 1 . . 171 . . 64 ILE N . 50750 1 319 . 1 . 1 65 65 ASP H H 1 8.714 0.003 . 1 . . 186 . . 65 ASP H . 50750 1 320 . 1 . 1 65 65 ASP C C 13 176.198 0.013 . 1 . . 849 . . 65 ASP C . 50750 1 321 . 1 . 1 65 65 ASP CA C 13 52.093 0.067 . 1 . . 576 . . 65 ASP CA . 50750 1 322 . 1 . 1 65 65 ASP CB C 13 41.735 0.071 . 1 . . 622 . . 65 ASP CB . 50750 1 323 . 1 . 1 65 65 ASP N N 15 128.451 0.002 . 1 . . 188 . . 65 ASP N . 50750 1 324 . 1 . 1 66 66 PHE H H 1 8.761 0.001 . 1 . . 236 . . 66 PHE H . 50750 1 325 . 1 . 1 66 66 PHE CA C 13 63.799 . . 1 . . 621 . . 66 PHE CA . 50750 1 326 . 1 . 1 66 66 PHE CB C 13 41.760 . . 1 . . 1005 . . 66 PHE CB . 50750 1 327 . 1 . 1 66 66 PHE N N 15 117.791 0.021 . 1 . . 238 . . 66 PHE N . 50750 1 328 . 1 . 1 67 67 PRO C C 13 180.464 . . 1 . . 246 . . 67 PRO C . 50750 1 329 . 1 . 1 67 67 PRO CA C 13 66.502 . . 1 . . 629 . . 67 PRO CA . 50750 1 330 . 1 . 1 67 67 PRO CB C 13 30.699 . . 1 . . 630 . . 67 PRO CB . 50750 1 331 . 1 . 1 68 68 GLU H H 1 8.123 0.001 . 1 . . 245 . . 68 GLU H . 50750 1 332 . 1 . 1 68 68 GLU C C 13 178.783 0.015 . 1 . . 628 . . 68 GLU C . 50750 1 333 . 1 . 1 68 68 GLU CA C 13 59.417 0.077 . 1 . . 1063 . . 68 GLU CA . 50750 1 334 . 1 . 1 68 68 GLU CB C 13 29.926 . . 1 . . 911 . . 68 GLU CB . 50750 1 335 . 1 . 1 68 68 GLU N N 15 117.669 0.006 . 1 . . 247 . . 68 GLU N . 50750 1 336 . 1 . 1 69 69 PHE H H 1 9.032 0.002 . 1 . . 406 . . 69 PHE H . 50750 1 337 . 1 . 1 69 69 PHE C C 13 177.096 0.009 . 1 . . 772 . . 69 PHE C . 50750 1 338 . 1 . 1 69 69 PHE CA C 13 61.350 0.002 . 1 . . 506 . . 69 PHE CA . 50750 1 339 . 1 . 1 69 69 PHE CB C 13 39.717 0.02 . 1 . . 507 . . 69 PHE CB . 50750 1 340 . 1 . 1 69 69 PHE N N 15 123.139 0.02 . 1 . . 408 . . 69 PHE N . 50750 1 341 . 1 . 1 70 70 LEU H H 1 8.246 0.003 . 1 . . 90 . . 70 LEU H . 50750 1 342 . 1 . 1 70 70 LEU C C 13 179.268 0.001 . 1 . . 366 . . 70 LEU C . 50750 1 343 . 1 . 1 70 70 LEU CA C 13 57.785 0.031 . 1 . . 735 . . 70 LEU CA . 50750 1 344 . 1 . 1 70 70 LEU CB C 13 40.890 0.04 . 1 . . 505 . . 70 LEU CB . 50750 1 345 . 1 . 1 70 70 LEU N N 15 118.600 0.005 . 1 . . 92 . . 70 LEU N . 50750 1 346 . 1 . 1 71 71 ASN H H 1 7.196 0.001 . 1 . . 365 . . 71 ASN H . 50750 1 347 . 1 . 1 71 71 ASN HD21 H 1 7.822 0.0 . 1 . . 106 . . 71 ASN HD21 . 50750 1 348 . 1 . 1 71 71 ASN HD22 H 1 6.882 0.001 . 1 . . 1170 . . 71 ASN HD22 . 50750 1 349 . 1 . 1 71 71 ASN C C 13 177.458 0.015 . 1 . . 734 . . 71 ASN C . 50750 1 350 . 1 . 1 71 71 ASN CA C 13 55.675 0.071 . 1 . . 736 . . 71 ASN CA . 50750 1 351 . 1 . 1 71 71 ASN CB C 13 37.831 0.075 . 1 . . 455 . . 71 ASN CB . 50750 1 352 . 1 . 1 71 71 ASN CG C 13 175.672 0.001 . 1 . . 107 . . 71 ASN CG . 50750 1 353 . 1 . 1 71 71 ASN N N 15 116.754 0.001 . 1 . . 367 . . 71 ASN N . 50750 1 354 . 1 . 1 71 71 ASN ND2 N 15 112.601 0.003 . 1 . . 108 . . 71 ASN ND2 . 50750 1 355 . 1 . 1 72 72 LEU H H 1 8.049 0.002 . 1 . . 24 . . 72 LEU H . 50750 1 356 . 1 . 1 72 72 LEU C C 13 178.608 0.057 . 1 . . 1155 . . 72 LEU C . 50750 1 357 . 1 . 1 72 72 LEU CA C 13 58.261 0.031 . 1 . . 672 . . 72 LEU CA . 50750 1 358 . 1 . 1 72 72 LEU CB C 13 41.965 . . 1 . . 671 . . 72 LEU CB . 50750 1 359 . 1 . 1 72 72 LEU N N 15 122.522 0.079 . 1 . . 25 . . 72 LEU N . 50750 1 360 . 1 . 1 73 73 MET H H 1 8.122 0.003 . 1 . . 291 . . 73 MET H . 50750 1 361 . 1 . 1 73 73 MET C C 13 178.597 . . 1 . . 876 . . 73 MET C . 50750 1 362 . 1 . 1 73 73 MET CA C 13 55.712 0.05 . 1 . . 686 . . 73 MET CA . 50750 1 363 . 1 . 1 73 73 MET CB C 13 31.611 0.013 . 1 . . 1008 . . 73 MET CB . 50750 1 364 . 1 . 1 73 73 MET N N 15 116.049 0.004 . 1 . . 293 . . 73 MET N . 50750 1 365 . 1 . 1 74 74 ALA H H 1 7.960 0.002 . 1 . . 316 . . 74 ALA H . 50750 1 366 . 1 . 1 74 74 ALA C C 13 179.584 0.0 . 1 . . 685 . . 74 ALA C . 50750 1 367 . 1 . 1 74 74 ALA CA C 13 54.434 0.045 . 1 . . 710 . . 74 ALA CA . 50750 1 368 . 1 . 1 74 74 ALA CB C 13 18.477 0.071 . 1 . . 711 . . 74 ALA CB . 50750 1 369 . 1 . 1 74 74 ALA N N 15 121.708 0.004 . 1 . . 318 . . 74 ALA N . 50750 1 370 . 1 . 1 75 75 ARG H H 1 7.576 0.003 . 1 . . 339 . . 75 ARG H . 50750 1 371 . 1 . 1 75 75 ARG C C 13 177.799 0.026 . 1 . . 709 . . 75 ARG C . 50750 1 372 . 1 . 1 75 75 ARG CA C 13 57.991 0.021 . 1 . . 775 . . 75 ARG CA . 50750 1 373 . 1 . 1 75 75 ARG CB C 13 30.380 0.003 . 1 . . 776 . . 75 ARG CB . 50750 1 374 . 1 . 1 75 75 ARG N N 15 116.948 0.007 . 1 . . 341 . . 75 ARG N . 50750 1 375 . 1 . 1 76 76 LYS H H 1 7.868 0.001 . 1 . . 409 . . 76 LYS H . 50750 1 376 . 1 . 1 76 76 LYS C C 13 177.592 0.037 . 1 . . 882 . . 76 LYS C . 50750 1 377 . 1 . 1 76 76 LYS CA C 13 56.733 0.043 . 1 . . 661 . . 76 LYS CA . 50750 1 378 . 1 . 1 76 76 LYS CB C 13 32.287 0.02 . 1 . . 662 . . 76 LYS CB . 50750 1 379 . 1 . 1 76 76 LYS N N 15 118.823 0.076 . 1 . . 411 . . 76 LYS N . 50750 1 380 . 1 . 1 77 77 MET H H 1 8.006 0.001 . 1 . . 279 . . 77 MET H . 50750 1 381 . 1 . 1 77 77 MET C C 13 176.494 0.035 . 1 . . 659 . . 77 MET C . 50750 1 382 . 1 . 1 77 77 MET CA C 13 56.394 0.022 . 1 . . 869 . . 77 MET CA . 50750 1 383 . 1 . 1 77 77 MET CB C 13 32.781 0.017 . 1 . . 660 . . 77 MET CB . 50750 1 384 . 1 . 1 77 77 MET N N 15 119.238 0.001 . 1 . . 281 . . 77 MET N . 50750 1 385 . 1 . 1 78 78 LYS H H 1 7.935 0.002 . 1 . . 77 . . 78 LYS H . 50750 1 386 . 1 . 1 78 78 LYS C C 13 176.569 . . 1 . . 78 . . 78 LYS C . 50750 1 387 . 1 . 1 78 78 LYS CA C 13 56.643 0.009 . 1 . . 868 . . 78 LYS CA . 50750 1 388 . 1 . 1 78 78 LYS CB C 13 33.177 0.077 . 1 . . 590 . . 78 LYS CB . 50750 1 389 . 1 . 1 78 78 LYS N N 15 121.093 0.008 . 1 . . 79 . . 78 LYS N . 50750 1 390 . 1 . 1 79 79 ASP H H 1 8.387 0.002 . 1 . . 197 . . 79 ASP H . 50750 1 391 . 1 . 1 79 79 ASP C C 13 176.745 0.035 . 1 . . 588 . . 79 ASP C . 50750 1 392 . 1 . 1 79 79 ASP CA C 13 54.801 0.037 . 1 . . 858 . . 79 ASP CA . 50750 1 393 . 1 . 1 79 79 ASP CB C 13 41.265 . . 1 . . 589 . . 79 ASP CB . 50750 1 394 . 1 . 1 79 79 ASP N N 15 122.029 0.004 . 1 . . 199 . . 79 ASP N . 50750 1 395 . 1 . 1 80 80 THR H H 1 8.173 0.003 . 1 . . 157 . . 80 THR H . 50750 1 396 . 1 . 1 80 80 THR C C 13 174.654 0.045 . 1 . . 840 . . 80 THR C . 50750 1 397 . 1 . 1 80 80 THR CA C 13 62.550 0.01 . 1 . . 526 . . 80 THR CA . 50750 1 398 . 1 . 1 80 80 THR CB C 13 69.903 0.011 . 1 . . 527 . . 80 THR CB . 50750 1 399 . 1 . 1 80 80 THR N N 15 114.775 0.005 . 1 . . 159 . . 80 THR N . 50750 1 400 . 1 . 1 81 81 ASP H H 1 8.496 0.002 . 1 . . 122 . . 81 ASP H . 50750 1 401 . 1 . 1 81 81 ASP C C 13 177.013 0.012 . 1 . . 832 . . 81 ASP C . 50750 1 402 . 1 . 1 81 81 ASP CA C 13 54.934 0.008 . 1 . . 525 . . 81 ASP CA . 50750 1 403 . 1 . 1 81 81 ASP CB C 13 41.230 0.022 . 1 . . 738 . . 81 ASP CB . 50750 1 404 . 1 . 1 81 81 ASP N N 15 123.286 0.012 . 1 . . 124 . . 81 ASP N . 50750 1 405 . 1 . 1 82 82 SER H H 1 8.467 0.002 . 1 . . 368 . . 82 SER H . 50750 1 406 . 1 . 1 82 82 SER C C 13 175.492 0.042 . 1 . . 737 . . 82 SER C . 50750 1 407 . 1 . 1 82 82 SER CA C 13 59.640 0.089 . 1 . . 739 . . 82 SER CA . 50750 1 408 . 1 . 1 82 82 SER CB C 13 63.697 0.088 . 1 . . 606 . . 82 SER CB . 50750 1 409 . 1 . 1 82 82 SER N N 15 117.223 0.0 . 1 . . 370 . . 82 SER N . 50750 1 410 . 1 . 1 83 83 GLU H H 1 8.524 0.003 . 1 . . 210 . . 83 GLU H . 50750 1 411 . 1 . 1 83 83 GLU C C 13 177.670 0.037 . 1 . . 604 . . 83 GLU C . 50750 1 412 . 1 . 1 83 83 GLU CA C 13 58.639 0.025 . 1 . . 784 . . 83 GLU CA . 50750 1 413 . 1 . 1 83 83 GLU CB C 13 29.788 0.028 . 1 . . 783 . . 83 GLU CB . 50750 1 414 . 1 . 1 83 83 GLU N N 15 122.469 0.002 . 1 . . 212 . . 83 GLU N . 50750 1 415 . 1 . 1 84 84 GLU H H 1 8.313 0.002 . 1 . . 416 . . 84 GLU H . 50750 1 416 . 1 . 1 84 84 GLU C C 13 178.897 0.004 . 1 . . 782 . . 84 GLU C . 50750 1 417 . 1 . 1 84 84 GLU CA C 13 59.422 0.035 . 1 . . 741 . . 84 GLU CA . 50750 1 418 . 1 . 1 84 84 GLU CB C 13 29.449 0.076 . 1 . . 742 . . 84 GLU CB . 50750 1 419 . 1 . 1 84 84 GLU N N 15 119.436 0.001 . 1 . . 418 . . 84 GLU N . 50750 1 420 . 1 . 1 85 85 GLU H H 1 8.269 0.001 . 1 . . 371 . . 85 GLU H . 50750 1 421 . 1 . 1 85 85 GLU C C 13 180.039 0.006 . 1 . . 740 . . 85 GLU C . 50750 1 422 . 1 . 1 85 85 GLU CA C 13 59.476 0.057 . 1 . . 878 . . 85 GLU CA . 50750 1 423 . 1 . 1 85 85 GLU CB C 13 29.540 0.029 . 1 . . 667 . . 85 GLU CB . 50750 1 424 . 1 . 1 85 85 GLU N N 15 119.024 0.003 . 1 . . 373 . . 85 GLU N . 50750 1 425 . 1 . 1 86 86 LEU H H 1 8.190 0.001 . 1 . . 285 . . 86 LEU H . 50750 1 426 . 1 . 1 86 86 LEU C C 13 179.159 0.006 . 1 . . 666 . . 86 LEU C . 50750 1 427 . 1 . 1 86 86 LEU CA C 13 58.014 0.026 . 1 . . 580 . . 86 LEU CA . 50750 1 428 . 1 . 1 86 86 LEU CB C 13 42.225 0.009 . 1 . . 581 . . 86 LEU CB . 50750 1 429 . 1 . 1 86 86 LEU N N 15 122.123 0.008 . 1 . . 287 . . 86 LEU N . 50750 1 430 . 1 . 1 87 87 LYS H H 1 8.413 0.003 . 1 . . 190 . . 87 LYS H . 50750 1 431 . 1 . 1 87 87 LYS C C 13 180.059 0.02 . 1 . . 579 . . 87 LYS C . 50750 1 432 . 1 . 1 87 87 LYS CA C 13 60.213 0.009 . 1 . . 482 . . 87 LYS CA . 50750 1 433 . 1 . 1 87 87 LYS CB C 13 32.433 0.034 . 1 . . 582 . . 87 LYS CB . 50750 1 434 . 1 . 1 87 87 LYS N N 15 121.135 0.012 . 1 . . 192 . . 87 LYS N . 50750 1 435 . 1 . 1 88 88 GLU H H 1 8.015 0.003 . 1 . . 60 . . 88 GLU H . 50750 1 436 . 1 . 1 88 88 GLU C C 13 179.046 0.012 . 1 . . 822 . . 88 GLU C . 50750 1 437 . 1 . 1 88 88 GLU CA C 13 58.936 0.009 . 1 . . 664 . . 88 GLU CA . 50750 1 438 . 1 . 1 88 88 GLU CB C 13 29.231 0.011 . 1 . . 665 . . 88 GLU CB . 50750 1 439 . 1 . 1 88 88 GLU N N 15 118.667 0.034 . 1 . . 62 . . 88 GLU N . 50750 1 440 . 1 . 1 89 89 ALA H H 1 8.176 0.001 . 1 . . 282 . . 89 ALA H . 50750 1 441 . 1 . 1 89 89 ALA C C 13 179.522 0.025 . 1 . . 663 . . 89 ALA C . 50750 1 442 . 1 . 1 89 89 ALA CA C 13 55.143 0.012 . 1 . . 719 . . 89 ALA CA . 50750 1 443 . 1 . 1 89 89 ALA CB C 13 18.101 0.016 . 1 . . 720 . . 89 ALA CB . 50750 1 444 . 1 . 1 89 89 ALA N N 15 122.659 0.006 . 1 . . 284 . . 89 ALA N . 50750 1 445 . 1 . 1 90 90 PHE H H 1 8.608 0.003 . 1 . . 347 . . 90 PHE H . 50750 1 446 . 1 . 1 90 90 PHE C C 13 176.559 . . 1 . . 1127 . . 90 PHE C . 50750 1 447 . 1 . 1 90 90 PHE CA C 13 62.087 0.026 . 1 . . 759 . . 90 PHE CA . 50750 1 448 . 1 . 1 90 90 PHE CB C 13 39.339 0.073 . 1 . . 761 . . 90 PHE CB . 50750 1 449 . 1 . 1 90 90 PHE N N 15 119.048 0.0 . 1 . . 349 . . 90 PHE N . 50750 1 450 . 1 . 1 91 91 LYS H H 1 7.475 0.002 . 1 . . 390 . . 91 LYS H . 50750 1 451 . 1 . 1 91 91 LYS C C 13 178.390 0.03 . 1 . . 758 . . 91 LYS C . 50750 1 452 . 1 . 1 91 91 LYS CA C 13 59.211 0.017 . 1 . . 760 . . 91 LYS CA . 50750 1 453 . 1 . 1 91 91 LYS CB C 13 32.707 0.041 . 1 . . 770 . . 91 LYS CB . 50750 1 454 . 1 . 1 91 91 LYS N N 15 115.451 0.001 . 1 . . 392 . . 91 LYS N . 50750 1 455 . 1 . 1 92 92 VAL H H 1 7.473 0.002 . 1 . . 400 . . 92 VAL H . 50750 1 456 . 1 . 1 92 92 VAL C C 13 177.480 0.023 . 1 . . 768 . . 92 VAL C . 50750 1 457 . 1 . 1 92 92 VAL CA C 13 65.782 0.044 . 1 . . 769 . . 92 VAL CA . 50750 1 458 . 1 . 1 92 92 VAL CB C 13 31.785 . . 1 . . 771 . . 92 VAL CB . 50750 1 459 . 1 . 1 92 92 VAL N N 15 118.330 0.003 . 1 . . 402 . . 92 VAL N . 50750 1 460 . 1 . 1 93 93 PHE H H 1 7.428 0.002 . 1 . . 204 . . 93 PHE H . 50750 1 461 . 1 . 1 93 93 PHE C C 13 177.250 . . 1 . . 1128 . . 93 PHE C . 50750 1 462 . 1 . 1 93 93 PHE CA C 13 59.908 0.032 . 1 . . 745 . . 93 PHE CA . 50750 1 463 . 1 . 1 93 93 PHE CB C 13 40.709 . . 1 . . 598 . . 93 PHE CB . 50750 1 464 . 1 . 1 93 93 PHE N N 15 116.291 0.007 . 1 . . 206 . . 93 PHE N . 50750 1 465 . 1 . 1 94 94 ASP H H 1 7.833 0.001 . 1 . . 374 . . 94 ASP H . 50750 1 466 . 1 . 1 94 94 ASP C C 13 177.538 0.052 . 1 . . 743 . . 94 ASP C . 50750 1 467 . 1 . 1 94 94 ASP CA C 13 52.411 0.016 . 1 . . 676 . . 94 ASP CA . 50750 1 468 . 1 . 1 94 94 ASP CB C 13 38.516 0.0 . 1 . . 674 . . 94 ASP CB . 50750 1 469 . 1 . 1 94 94 ASP N N 15 117.199 0.006 . 1 . . 376 . . 94 ASP N . 50750 1 470 . 1 . 1 95 95 LYS H H 1 7.758 0.002 . 1 . . 297 . . 95 LYS H . 50750 1 471 . 1 . 1 95 95 LYS C C 13 178.321 0.007 . 1 . . 673 . . 95 LYS C . 50750 1 472 . 1 . 1 95 95 LYS CA C 13 59.137 0.072 . 1 . . 689 . . 95 LYS CA . 50750 1 473 . 1 . 1 95 95 LYS CB C 13 32.807 0.091 . 1 . . 675 . . 95 LYS CB . 50750 1 474 . 1 . 1 95 95 LYS N N 15 126.094 0.0 . 1 . . 299 . . 95 LYS N . 50750 1 475 . 1 . 1 96 96 ASP H H 1 8.149 0.002 . 1 . . 322 . . 96 ASP H . 50750 1 476 . 1 . 1 96 96 ASP C C 13 175.906 0.007 . 1 . . 688 . . 96 ASP C . 50750 1 477 . 1 . 1 96 96 ASP CA C 13 53.096 0.06 . 1 . . 562 . . 96 ASP CA . 50750 1 478 . 1 . 1 96 96 ASP CB C 13 39.212 0.034 . 1 . . 690 . . 96 ASP CB . 50750 1 479 . 1 . 1 96 96 ASP N N 15 114.407 0.005 . 1 . . 324 . . 96 ASP N . 50750 1 480 . 1 . 1 97 97 GLN H H 1 7.930 0.002 . 1 . . 174 . . 97 GLN H . 50750 1 481 . 1 . 1 97 97 GLN HE21 H 1 6.813 0.0 . 1 . . 404 . . 97 GLN HE21 . 50750 1 482 . 1 . 1 97 97 GLN HE22 H 1 7.590 0.0 . 1 . . 428 . . 97 GLN HE22 . 50750 1 483 . 1 . 1 97 97 GLN C C 13 175.582 0.007 . 1 . . 845 . . 97 GLN C . 50750 1 484 . 1 . 1 97 97 GLN CA C 13 56.909 0.025 . 1 . . 903 . . 97 GLN CA . 50750 1 485 . 1 . 1 97 97 GLN CB C 13 26.604 0.099 . 1 . . 904 . . 97 GLN CB . 50750 1 486 . 1 . 1 97 97 GLN CD C 13 181.341 0.001 . 1 . . 1110 . . 97 GLN CD . 50750 1 487 . 1 . 1 97 97 GLN N N 15 114.064 0.443 . 1 . . 176 . . 97 GLN N . 50750 1 488 . 1 . 1 97 97 GLN NE2 N 15 112.734 0.006 . 1 . . 405 . . 97 GLN NE2 . 50750 1 489 . 1 . 1 98 98 ASN H H 1 8.520 0.002 . 1 . . 207 . . 98 ASN H . 50750 1 490 . 1 . 1 98 98 ASN C C 13 176.508 0.017 . 1 . . 600 . . 98 ASN C . 50750 1 491 . 1 . 1 98 98 ASN CA C 13 52.361 . . 1 . . 601 . . 98 ASN CA . 50750 1 492 . 1 . 1 98 98 ASN CB C 13 38.615 0.002 . 1 . . 602 . . 98 ASN CB . 50750 1 493 . 1 . 1 98 98 ASN N N 15 118.603 0.001 . 1 . . 209 . . 98 ASN N . 50750 1 494 . 1 . 1 99 99 GLY H H 1 10.628 0.001 . 1 . . 359 . . 99 GLY H . 50750 1 495 . 1 . 1 99 99 GLY C C 13 172.384 . . 1 . . 1130 . . 99 GLY C . 50750 1 496 . 1 . 1 99 99 GLY CA C 13 45.212 . . 1 . . 731 . . 99 GLY CA . 50750 1 497 . 1 . 1 99 99 GLY N N 15 113.056 0.095 . 1 . . 361 . . 99 GLY N . 50750 1 498 . 1 . 1 100 100 PHE H H 1 7.689 0.001 . 1 . . 43 . . 100 PHE H . 50750 1 499 . 1 . 1 100 100 PHE C C 13 174.456 0.002 . 1 . . 800 . . 100 PHE C . 50750 1 500 . 1 . 1 100 100 PHE CA C 13 55.965 0.027 . 1 . . 814 . . 100 PHE CA . 50750 1 501 . 1 . 1 100 100 PHE CB C 13 44.351 . . 1 . . 471 . . 100 PHE CB . 50750 1 502 . 1 . 1 100 100 PHE N N 15 115.664 0.001 . 1 . . 44 . . 100 PHE N . 50750 1 503 . 1 . 1 101 101 ILE H H 1 10.244 0.006 . 1 . . 4 . . 101 ILE H . 50750 1 504 . 1 . 1 101 101 ILE C C 13 175.568 0.013 . 1 . . 811 . . 101 ILE C . 50750 1 505 . 1 . 1 101 101 ILE CA C 13 60.291 0.025 . 1 . . 1023 . . 101 ILE CA . 50750 1 506 . 1 . 1 101 101 ILE CB C 13 38.890 . . 1 . . 439 . . 101 ILE CB . 50750 1 507 . 1 . 1 101 101 ILE N N 15 127.117 0.012 . 1 . . 6 . . 101 ILE N . 50750 1 508 . 1 . 1 102 102 SER H H 1 9.007 0.002 . 1 . . 966 . . 102 SER H . 50750 1 509 . 1 . 1 102 102 SER C C 13 175.293 . . 1 . . 1132 . . 102 SER C . 50750 1 510 . 1 . 1 102 102 SER CA C 13 55.898 0.077 . 1 . . 978 . . 102 SER CA . 50750 1 511 . 1 . 1 102 102 SER CB C 13 66.665 0.063 . 1 . . 979 . . 102 SER CB . 50750 1 512 . 1 . 1 102 102 SER N N 15 123.884 0.001 . 1 . . 967 . . 102 SER N . 50750 1 513 . 1 . 1 103 103 ALA H H 1 9.211 0.002 . 1 . . 974 . . 103 ALA H . 50750 1 514 . 1 . 1 103 103 ALA C C 13 179.342 0.01 . 1 . . 977 . . 103 ALA C . 50750 1 515 . 1 . 1 103 103 ALA CA C 13 56.088 0.046 . 1 . . 980 . . 103 ALA CA . 50750 1 516 . 1 . 1 103 103 ALA CB C 13 18.066 0.063 . 1 . . 1041 . . 103 ALA CB . 50750 1 517 . 1 . 1 103 103 ALA N N 15 122.899 0.002 . 1 . . 975 . . 103 ALA N . 50750 1 518 . 1 . 1 104 104 ALA H H 1 8.316 0.002 . 1 . . 1037 . . 104 ALA H . 50750 1 519 . 1 . 1 104 104 ALA C C 13 181.454 0.004 . 1 . . 1040 . . 104 ALA C . 50750 1 520 . 1 . 1 104 104 ALA CA C 13 55.422 0.045 . 1 . . 1043 . . 104 ALA CA . 50750 1 521 . 1 . 1 104 104 ALA CB C 13 18.401 0.074 . 1 . . 1044 . . 104 ALA CB . 50750 1 522 . 1 . 1 104 104 ALA N N 15 118.517 0.004 . 1 . . 1038 . . 104 ALA N . 50750 1 523 . 1 . 1 105 105 GLU H H 1 7.913 0.001 . 1 . . 7 . . 105 GLU H . 50750 1 524 . 1 . 1 105 105 GLU C C 13 179.555 0.023 . 1 . . 797 . . 105 GLU C . 50750 1 525 . 1 . 1 105 105 GLU CA C 13 59.155 0.036 . 1 . . 701 . . 105 GLU CA . 50750 1 526 . 1 . 1 105 105 GLU CB C 13 29.381 0.003 . 1 . . 704 . . 105 GLU CB . 50750 1 527 . 1 . 1 105 105 GLU N N 15 119.763 0.032 . 1 . . 9 . . 105 GLU N . 50750 1 528 . 1 . 1 106 106 LEU H H 1 8.703 0.001 . 1 . . 333 . . 106 LEU H . 50750 1 529 . 1 . 1 106 106 LEU C C 13 178.550 0.057 . 1 . . 700 . . 106 LEU C . 50750 1 530 . 1 . 1 106 106 LEU CA C 13 58.243 0.042 . 1 . . 702 . . 106 LEU CA . 50750 1 531 . 1 . 1 106 106 LEU CB C 13 42.145 0.051 . 1 . . 703 . . 106 LEU CB . 50750 1 532 . 1 . 1 106 106 LEU N N 15 121.510 0.001 . 1 . . 335 . . 106 LEU N . 50750 1 533 . 1 . 1 107 107 ARG H H 1 8.587 0.003 . 1 . . 177 . . 107 ARG H . 50750 1 534 . 1 . 1 107 107 ARG C C 13 178.623 . . 1 . . 1101 . . 107 ARG C . 50750 1 535 . 1 . 1 107 107 ARG CA C 13 59.884 0.001 . 1 . . 1102 . . 107 ARG CA . 50750 1 536 . 1 . 1 107 107 ARG CB C 13 30.674 0.027 . 1 . . 564 . . 107 ARG CB . 50750 1 537 . 1 . 1 107 107 ARG N N 15 117.737 0.003 . 1 . . 179 . . 107 ARG N . 50750 1 538 . 1 . 1 108 108 HIS H H 1 7.879 0.002 . 1 . . 1099 . . 108 HIS H . 50750 1 539 . 1 . 1 108 108 HIS C C 13 177.507 0.007 . 1 . . 152 . . 108 HIS C . 50750 1 540 . 1 . 1 108 108 HIS CA C 13 59.594 0.03 . 1 . . 544 . . 108 HIS CA . 50750 1 541 . 1 . 1 108 108 HIS CB C 13 30.718 0.008 . 1 . . 543 . . 108 HIS CB . 50750 1 542 . 1 . 1 108 108 HIS N N 15 118.731 0.0 . 1 . . 1100 . . 108 HIS N . 50750 1 543 . 1 . 1 109 109 VAL H H 1 7.829 0.001 . 1 . . 151 . . 109 VAL H . 50750 1 544 . 1 . 1 109 109 VAL C C 13 178.095 0.002 . 1 . . 998 . . 109 VAL C . 50750 1 545 . 1 . 1 109 109 VAL CA C 13 65.891 0.016 . 1 . . 508 . . 109 VAL CA . 50750 1 546 . 1 . 1 109 109 VAL CB C 13 31.970 0.013 . 1 . . 542 . . 109 VAL CB . 50750 1 547 . 1 . 1 109 109 VAL N N 15 118.700 0.008 . 1 . . 153 . . 109 VAL N . 50750 1 548 . 1 . 1 110 110 MET H H 1 8.278 0.003 . 1 . . 94 . . 110 MET H . 50750 1 549 . 1 . 1 110 110 MET C C 13 178.578 0.027 . 1 . . 826 . . 110 MET C . 50750 1 550 . 1 . 1 110 110 MET CA C 13 57.385 0.015 . 1 . . 682 . . 110 MET CA . 50750 1 551 . 1 . 1 110 110 MET CB C 13 31.356 0.016 . 1 . . 683 . . 110 MET CB . 50750 1 552 . 1 . 1 110 110 MET N N 15 116.690 0.054 . 1 . . 96 . . 110 MET N . 50750 1 553 . 1 . 1 111 111 THR H H 1 8.225 0.002 . 1 . . 309 . . 111 THR H . 50750 1 554 . 1 . 1 111 111 THR C C 13 177.529 . . 1 . . 1135 . . 111 THR C . 50750 1 555 . 1 . 1 111 111 THR CA C 13 65.525 . . 1 . . 681 . . 111 THR CA . 50750 1 556 . 1 . 1 111 111 THR CB C 13 69.377 0.086 . 1 . . 486 . . 111 THR CB . 50750 1 557 . 1 . 1 111 111 THR N N 15 114.963 0.0 . 1 . . 311 . . 111 THR N . 50750 1 558 . 1 . 1 112 112 ASN H H 1 8.005 0.001 . 1 . . 66 . . 112 ASN H . 50750 1 559 . 1 . 1 112 112 ASN HD21 H 1 7.558 0.001 . 1 . . 57 . . 112 ASN HD21 . 50750 1 560 . 1 . 1 112 112 ASN HD22 H 1 6.638 0.001 . 1 . . 119 . . 112 ASN HD22 . 50750 1 561 . 1 . 1 112 112 ASN C C 13 176.492 0.006 . 1 . . 824 . . 112 ASN C . 50750 1 562 . 1 . 1 112 112 ASN CA C 13 55.654 0.038 . 1 . . 854 . . 112 ASN CA . 50750 1 563 . 1 . 1 112 112 ASN CB C 13 38.466 0.035 . 1 . . 853 . . 112 ASN CB . 50750 1 564 . 1 . 1 112 112 ASN CG C 13 176.375 0.002 . 1 . . 120 . . 112 ASN CG . 50750 1 565 . 1 . 1 112 112 ASN N N 15 122.288 0.053 . 1 . . 121 . . 112 ASN N . 50750 1 566 . 1 . 1 112 112 ASN ND2 N 15 112.229 0.007 . 1 . . 58 . . 112 ASN ND2 . 50750 1 567 . 1 . 1 113 113 LEU H H 1 7.977 0.001 . 1 . . 223 . . 113 LEU H . 50750 1 568 . 1 . 1 113 113 LEU C C 13 177.487 0.005 . 1 . . 852 . . 113 LEU C . 50750 1 569 . 1 . 1 113 113 LEU CA C 13 55.685 . . 1 . . 906 . . 113 LEU CA . 50750 1 570 . 1 . 1 113 113 LEU CB C 13 41.832 0.021 . 1 . . 1136 . . 113 LEU CB . 50750 1 571 . 1 . 1 113 113 LEU N N 15 119.479 0.0 . 1 . . 225 . . 113 LEU N . 50750 1 572 . 1 . 1 114 114 GLY H H 1 7.932 0.003 . 1 . . 1089 . . 114 GLY H . 50750 1 573 . 1 . 1 114 114 GLY C C 13 174.411 0.016 . 1 . . 1091 . . 114 GLY C . 50750 1 574 . 1 . 1 114 114 GLY CA C 13 45.478 0.055 . 1 . . 1094 . . 114 GLY CA . 50750 1 575 . 1 . 1 114 114 GLY N N 15 107.122 0.02 . 1 . . 1090 . . 114 GLY N . 50750 1 576 . 1 . 1 115 115 GLU H H 1 7.951 0.003 . 1 . . 955 . . 115 GLU H . 50750 1 577 . 1 . 1 115 115 GLU C C 13 175.706 0.019 . 1 . . 958 . . 115 GLU C . 50750 1 578 . 1 . 1 115 115 GLU CA C 13 55.345 0.038 . 1 . . 952 . . 115 GLU CA . 50750 1 579 . 1 . 1 115 115 GLU CB C 13 30.468 0.065 . 1 . . 953 . . 115 GLU CB . 50750 1 580 . 1 . 1 115 115 GLU N N 15 120.386 0.002 . 1 . . 956 . . 115 GLU N . 50750 1 581 . 1 . 1 116 116 LYS H H 1 8.656 0.002 . 1 . . 949 . . 116 LYS H . 50750 1 582 . 1 . 1 116 116 LYS C C 13 175.721 . . 1 . . 1022 . . 116 LYS C . 50750 1 583 . 1 . 1 116 116 LYS CA C 13 55.671 0.058 . 1 . . 1036 . . 116 LYS CA . 50750 1 584 . 1 . 1 116 116 LYS CB C 13 32.216 0.01 . 1 . . 954 . . 116 LYS CB . 50750 1 585 . 1 . 1 116 116 LYS N N 15 123.869 0.001 . 1 . . 950 . . 116 LYS N . 50750 1 586 . 1 . 1 117 117 LEU H H 1 8.182 0.004 . 1 . . 1032 . . 117 LEU H . 50750 1 587 . 1 . 1 117 117 LEU C C 13 178.176 0.007 . 1 . . 1035 . . 117 LEU C . 50750 1 588 . 1 . 1 117 117 LEU CA C 13 54.223 0.041 . 1 . . 936 . . 117 LEU CA . 50750 1 589 . 1 . 1 117 117 LEU CB C 13 44.901 0.156 . 1 . . 937 . . 117 LEU CB . 50750 1 590 . 1 . 1 117 117 LEU N N 15 124.736 0.003 . 1 . . 1033 . . 117 LEU N . 50750 1 591 . 1 . 1 118 118 THR H H 1 9.326 0.005 . 1 . . 932 . . 118 THR H . 50750 1 592 . 1 . 1 118 118 THR C C 13 175.528 0.006 . 1 . . 1020 . . 118 THR C . 50750 1 593 . 1 . 1 118 118 THR CA C 13 60.782 0.007 . 1 . . 567 . . 118 THR CA . 50750 1 594 . 1 . 1 118 118 THR CB C 13 71.293 0.028 . 1 . . 569 . . 118 THR CB . 50750 1 595 . 1 . 1 118 118 THR N N 15 114.870 0.02 . 1 . . 933 . . 118 THR N . 50750 1 596 . 1 . 1 119 119 ASP H H 1 8.966 0.002 . 1 . . 180 . . 119 ASP H . 50750 1 597 . 1 . 1 119 119 ASP C C 13 178.649 0.031 . 1 . . 847 . . 119 ASP C . 50750 1 598 . 1 . 1 119 119 ASP CA C 13 58.179 0.011 . 1 . . 626 . . 119 ASP CA . 50750 1 599 . 1 . 1 119 119 ASP CB C 13 39.670 0.013 . 1 . . 627 . . 119 ASP CB . 50750 1 600 . 1 . 1 119 119 ASP N N 15 121.168 0.01 . 1 . . 182 . . 119 ASP N . 50750 1 601 . 1 . 1 120 120 GLU H H 1 8.741 0.001 . 1 . . 242 . . 120 GLU H . 50750 1 602 . 1 . 1 120 120 GLU C C 13 179.362 0.016 . 1 . . 625 . . 120 GLU C . 50750 1 603 . 1 . 1 120 120 GLU CA C 13 60.181 0.008 . 1 . . 655 . . 120 GLU CA . 50750 1 604 . 1 . 1 120 120 GLU CB C 13 29.183 0.05 . 1 . . 656 . . 120 GLU CB . 50750 1 605 . 1 . 1 120 120 GLU N N 15 119.268 0.002 . 1 . . 244 . . 120 GLU N . 50750 1 606 . 1 . 1 121 121 GLU H H 1 7.827 0.001 . 1 . . 273 . . 121 GLU H . 50750 1 607 . 1 . 1 121 121 GLU C C 13 180.308 0.032 . 1 . . 1144 . . 121 GLU C . 50750 1 608 . 1 . 1 121 121 GLU CA C 13 59.206 0.009 . 1 . . 653 . . 121 GLU CA . 50750 1 609 . 1 . 1 121 121 GLU CB C 13 30.520 0.009 . 1 . . 730 . . 121 GLU CB . 50750 1 610 . 1 . 1 121 121 GLU N N 15 120.521 . . 1 . . 275 . . 121 GLU N . 50750 1 611 . 1 . 1 122 122 VAL H H 1 8.160 0.001 . 1 . . 356 . . 122 VAL H . 50750 1 612 . 1 . 1 122 122 VAL C C 13 177.316 0.008 . 1 . . 728 . . 122 VAL C . 50750 1 613 . 1 . 1 122 122 VAL CA C 13 67.011 0.021 . 1 . . 509 . . 122 VAL CA . 50750 1 614 . 1 . 1 122 122 VAL CB C 13 31.242 0.044 . 1 . . 550 . . 122 VAL CB . 50750 1 615 . 1 . 1 122 122 VAL N N 15 121.444 0.0 . 1 . . 358 . . 122 VAL N . 50750 1 616 . 1 . 1 123 123 ASP H H 1 8.113 0.002 . 1 . . 160 . . 123 ASP H . 50750 1 617 . 1 . 1 123 123 ASP C C 13 179.417 0.014 . 1 . . 841 . . 123 ASP C . 50750 1 618 . 1 . 1 123 123 ASP CA C 13 57.644 0.051 . 1 . . 549 . . 123 ASP CA . 50750 1 619 . 1 . 1 123 123 ASP CB C 13 40.465 0.035 . 1 . . 633 . . 123 ASP CB . 50750 1 620 . 1 . 1 123 123 ASP N N 15 120.006 0.011 . 1 . . 162 . . 123 ASP N . 50750 1 621 . 1 . 1 124 124 GLU H H 1 8.024 0.002 . 1 . . 248 . . 124 GLU H . 50750 1 622 . 1 . 1 124 124 GLU C C 13 178.029 0.006 . 1 . . 631 . . 124 GLU C . 50750 1 623 . 1 . 1 124 124 GLU CA C 13 59.188 0.014 . 1 . . 632 . . 124 GLU CA . 50750 1 624 . 1 . 1 124 124 GLU CB C 13 29.523 0.026 . 1 . . 648 . . 124 GLU CB . 50750 1 625 . 1 . 1 124 124 GLU N N 15 119.801 0.003 . 1 . . 250 . . 124 GLU N . 50750 1 626 . 1 . 1 125 125 MET H H 1 7.839 0.002 . 1 . . 264 . . 125 MET H . 50750 1 627 . 1 . 1 125 125 MET C C 13 179.454 0.029 . 1 . . 874 . . 125 MET C . 50750 1 628 . 1 . 1 125 125 MET CA C 13 59.431 0.024 . 1 . . 451 . . 125 MET CA . 50750 1 629 . 1 . 1 125 125 MET CB C 13 33.342 0.006 . 1 . . 647 . . 125 MET CB . 50750 1 630 . 1 . 1 125 125 MET N N 15 119.875 0.008 . 1 . . 266 . . 125 MET N . 50750 1 631 . 1 . 1 126 126 ILE H H 1 8.046 0.001 . 1 . . 10 . . 126 ILE H . 50750 1 632 . 1 . 1 126 126 ILE C C 13 176.950 0.007 . 1 . . 798 . . 126 ILE C . 50750 1 633 . 1 . 1 126 126 ILE CA C 13 63.751 0.004 . 1 . . 446 . . 126 ILE CA . 50750 1 634 . 1 . 1 126 126 ILE CB C 13 36.324 0.01 . 1 . . 448 . . 126 ILE CB . 50750 1 635 . 1 . 1 126 126 ILE N N 15 118.709 0.007 . 1 . . 12 . . 126 ILE N . 50750 1 636 . 1 . 1 127 127 ARG H H 1 8.162 0.001 . 1 . . 26 . . 127 ARG H . 50750 1 637 . 1 . 1 127 127 ARG C C 13 179.456 0.021 . 1 . . 816 . . 127 ARG C . 50750 1 638 . 1 . 1 127 127 ARG CA C 13 59.852 0.049 . 1 . . 457 . . 127 ARG CA . 50750 1 639 . 1 . 1 127 127 ARG CB C 13 30.220 0.012 . 1 . . 528 . . 127 ARG CB . 50750 1 640 . 1 . 1 127 127 ARG N N 15 118.611 0.036 . 1 . . 28 . . 127 ARG N . 50750 1 641 . 1 . 1 128 128 GLU H H 1 7.986 0.002 . 1 . . 125 . . 128 GLU H . 50750 1 642 . 1 . 1 128 128 GLU C C 13 177.460 0.009 . 1 . . 833 . . 128 GLU C . 50750 1 643 . 1 . 1 128 128 GLU CA C 13 58.551 0.003 . 1 . . 787 . . 128 GLU CA . 50750 1 644 . 1 . 1 128 128 GLU CB C 13 29.672 0.023 . 1 . . 788 . . 128 GLU CB . 50750 1 645 . 1 . 1 128 128 GLU N N 15 116.165 0.006 . 1 . . 127 . . 128 GLU N . 50750 1 646 . 1 . 1 129 129 ALA H H 1 7.444 0.002 . 1 . . 422 . . 129 ALA H . 50750 1 647 . 1 . 1 129 129 ALA C C 13 178.250 0.023 . 1 . . 786 . . 129 ALA C . 50750 1 648 . 1 . 1 129 129 ALA CA C 13 52.267 0.018 . 1 . . 669 . . 129 ALA CA . 50750 1 649 . 1 . 1 129 129 ALA CB C 13 21.046 0.058 . 1 . . 789 . . 129 ALA CB . 50750 1 650 . 1 . 1 129 129 ALA N N 15 118.859 . . 1 . . 424 . . 129 ALA N . 50750 1 651 . 1 . 1 130 130 ASP H H 1 7.942 0.001 . 1 . . 288 . . 130 ASP H . 50750 1 652 . 1 . 1 130 130 ASP C C 13 176.157 0.006 . 1 . . 668 . . 130 ASP C . 50750 1 653 . 1 . 1 130 130 ASP CA C 13 54.015 0.028 . 1 . . 714 . . 130 ASP CA . 50750 1 654 . 1 . 1 130 130 ASP CB C 13 40.234 0.002 . 1 . . 670 . . 130 ASP CB . 50750 1 655 . 1 . 1 130 130 ASP N N 15 117.659 0.002 . 1 . . 290 . . 130 ASP N . 50750 1 656 . 1 . 1 131 131 ILE H H 1 8.436 0.003 . 1 . . 342 . . 131 ILE H . 50750 1 657 . 1 . 1 131 131 ILE C C 13 177.969 0.009 . 1 . . 712 . . 131 ILE C . 50750 1 658 . 1 . 1 131 131 ILE CA C 13 63.021 0.018 . 1 . . 693 . . 131 ILE CA . 50750 1 659 . 1 . 1 131 131 ILE CB C 13 38.282 0.033 . 1 . . 713 . . 131 ILE CB . 50750 1 660 . 1 . 1 131 131 ILE N N 15 127.149 0.007 . 1 . . 344 . . 131 ILE N . 50750 1 661 . 1 . 1 132 132 ASP H H 1 8.295 0.001 . 1 . . 325 . . 132 ASP H . 50750 1 662 . 1 . 1 132 132 ASP C C 13 178.359 0.028 . 1 . . 692 . . 132 ASP C . 50750 1 663 . 1 . 1 132 132 ASP CA C 13 53.792 0.014 . 1 . . 694 . . 132 ASP CA . 50750 1 664 . 1 . 1 132 132 ASP CB C 13 39.925 0.02 . 1 . . 695 . . 132 ASP CB . 50750 1 665 . 1 . 1 132 132 ASP N N 15 116.874 0.0 . 1 . . 327 . . 132 ASP N . 50750 1 666 . 1 . 1 133 133 GLY H H 1 7.595 0.003 . 1 . . 380 . . 133 GLY H . 50750 1 667 . 1 . 1 133 133 GLY C C 13 175.315 0.005 . 1 . . 748 . . 133 GLY C . 50750 1 668 . 1 . 1 133 133 GLY CA C 13 47.616 0.074 . 1 . . 749 . . 133 GLY CA . 50750 1 669 . 1 . 1 133 133 GLY N N 15 108.586 0.013 . 1 . . 382 . . 133 GLY N . 50750 1 670 . 1 . 1 134 134 ASP H H 1 8.353 0.001 . 1 . . 214 . . 134 ASP H . 50750 1 671 . 1 . 1 134 134 ASP C C 13 177.641 0.005 . 1 . . 850 . . 134 ASP C . 50750 1 672 . 1 . 1 134 134 ASP CA C 13 53.636 0.041 . 1 . . 489 . . 134 ASP CA . 50750 1 673 . 1 . 1 134 134 ASP CB C 13 40.187 0.052 . 1 . . 1001 . . 134 ASP CB . 50750 1 674 . 1 . 1 134 134 ASP N N 15 120.879 0.0 . 1 . . 216 . . 134 ASP N . 50750 1 675 . 1 . 1 135 135 GLY H H 1 10.396 0.005 . 1 . . 71 . . 135 GLY H . 50750 1 676 . 1 . 1 135 135 GLY C C 13 172.842 0.028 . 1 . . 985 . . 135 GLY C . 50750 1 677 . 1 . 1 135 135 GLY CA C 13 45.801 0.015 . 1 . . 540 . . 135 GLY CA . 50750 1 678 . 1 . 1 135 135 GLY N N 15 112.989 0.008 . 1 . . 73 . . 135 GLY N . 50750 1 679 . 1 . 1 136 136 GLN H H 1 7.954 0.001 . 1 . . 148 . . 136 GLN H . 50750 1 680 . 1 . 1 136 136 GLN HE21 H 1 6.398 0.0 . 1 . . 429 . . 136 GLN HE21 . 50750 1 681 . 1 . 1 136 136 GLN HE22 H 1 5.831 . . 1 . . 430 . . 136 GLN HE22 . 50750 1 682 . 1 . 1 136 136 GLN C C 13 174.635 0.035 . 1 . . 839 . . 136 GLN C . 50750 1 683 . 1 . 1 136 136 GLN CA C 13 53.214 0.005 . 1 . . 539 . . 136 GLN CA . 50750 1 684 . 1 . 1 136 136 GLN CB C 13 32.211 0.007 . 1 . . 541 . . 136 GLN CB . 50750 1 685 . 1 . 1 136 136 GLN CD C 13 178.800 . . 1 . . 1111 . . 136 GLN CD . 50750 1 686 . 1 . 1 136 136 GLN N N 15 115.450 0.003 . 1 . . 150 . . 136 GLN N . 50750 1 687 . 1 . 1 136 136 GLN NE2 N 15 108.872 0.019 . 1 . . 431 . . 136 GLN NE2 . 50750 1 688 . 1 . 1 137 137 VAL H H 1 9.185 0.001 . 1 . . 46 . . 137 VAL H . 50750 1 689 . 1 . 1 137 137 VAL C C 13 175.921 0.0 . 1 . . 820 . . 137 VAL C . 50750 1 690 . 1 . 1 137 137 VAL CA C 13 61.779 0.021 . 1 . . 537 . . 137 VAL CA . 50750 1 691 . 1 . 1 137 137 VAL CB C 13 33.725 0.029 . 1 . . 473 . . 137 VAL CB . 50750 1 692 . 1 . 1 137 137 VAL N N 15 125.344 0.015 . 1 . . 48 . . 137 VAL N . 50750 1 693 . 1 . 1 138 138 ASN H H 1 9.538 0.002 . 1 . . 145 . . 138 ASN H . 50750 1 694 . 1 . 1 138 138 ASN C C 13 174.965 0.027 . 1 . . 837 . . 138 ASN C . 50750 1 695 . 1 . 1 138 138 ASN CA C 13 51.230 0.039 . 1 . . 536 . . 138 ASN CA . 50750 1 696 . 1 . 1 138 138 ASN CB C 13 38.247 0.012 . 1 . . 838 . . 138 ASN CB . 50750 1 697 . 1 . 1 138 138 ASN N N 15 129.044 0.008 . 1 . . 147 . . 138 ASN N . 50750 1 698 . 1 . 1 139 139 TYR H H 1 8.551 0.002 . 1 . . 49 . . 139 TYR H . 50750 1 699 . 1 . 1 139 139 TYR C C 13 176.040 . . 1 . . 1139 . . 139 TYR C . 50750 1 700 . 1 . 1 139 139 TYR CA C 13 62.905 0.017 . 1 . . 723 . . 139 TYR CA . 50750 1 701 . 1 . 1 139 139 TYR CB C 13 37.440 0.002 . 1 . . 724 . . 139 TYR CB . 50750 1 702 . 1 . 1 139 139 TYR N N 15 118.705 0.032 . 1 . . 51 . . 139 TYR N . 50750 1 703 . 1 . 1 140 140 GLU H H 1 8.152 0.0 . 1 . . 350 . . 140 GLU H . 50750 1 704 . 1 . 1 140 140 GLU C C 13 180.530 0.03 . 1 . . 721 . . 140 GLU C . 50750 1 705 . 1 . 1 140 140 GLU CA C 13 60.071 0.003 . 1 . . 722 . . 140 GLU CA . 50750 1 706 . 1 . 1 140 140 GLU CB C 13 28.977 0.054 . 1 . . 1072 . . 140 GLU CB . 50750 1 707 . 1 . 1 140 140 GLU N N 15 118.819 0.0 . 1 . . 352 . . 140 GLU N . 50750 1 708 . 1 . 1 141 141 GLU H H 1 8.805 0.002 . 1 . . 312 . . 141 GLU H . 50750 1 709 . 1 . 1 141 141 GLU C C 13 179.382 0.003 . 1 . . 1010 . . 141 GLU C . 50750 1 710 . 1 . 1 141 141 GLU CA C 13 58.384 0.02 . 1 . . 848 . . 141 GLU CA . 50750 1 711 . 1 . 1 141 141 GLU CB C 13 29.967 0.018 . 1 . . 1068 . . 141 GLU CB . 50750 1 712 . 1 . 1 141 141 GLU N N 15 119.681 0.002 . 1 . . 314 . . 141 GLU N . 50750 1 713 . 1 . 1 142 142 PHE H H 1 9.062 0.002 . 1 . . 183 . . 142 PHE H . 50750 1 714 . 1 . 1 142 142 PHE C C 13 176.353 0.002 . 1 . . 813 . . 142 PHE C . 50750 1 715 . 1 . 1 142 142 PHE CA C 13 61.364 . . 1 . . 573 . . 142 PHE CA . 50750 1 716 . 1 . 1 142 142 PHE CB C 13 39.658 0.008 . 1 . . 553 . . 142 PHE CB . 50750 1 717 . 1 . 1 142 142 PHE N N 15 124.728 0.013 . 1 . . 185 . . 142 PHE N . 50750 1 718 . 1 . 1 143 143 VAL H H 1 8.437 0.001 . 1 . . 166 . . 143 VAL H . 50750 1 719 . 1 . 1 143 143 VAL C C 13 177.585 0.024 . 1 . . 844 . . 143 VAL C . 50750 1 720 . 1 . 1 143 143 VAL CA C 13 67.203 0.008 . 1 . . 644 . . 143 VAL CA . 50750 1 721 . 1 . 1 143 143 VAL CB C 13 31.637 0.079 . 1 . . 646 . . 143 VAL CB . 50750 1 722 . 1 . 1 143 143 VAL N N 15 120.018 0.003 . 1 . . 168 . . 143 VAL N . 50750 1 723 . 1 . 1 144 144 ARG H H 1 7.225 0.002 . 1 . . 261 . . 144 ARG H . 50750 1 724 . 1 . 1 144 144 ARG C C 13 178.711 0.011 . 1 . . 643 . . 144 ARG C . 50750 1 725 . 1 . 1 144 144 ARG CA C 13 59.092 . . 1 . . 645 . . 144 ARG CA . 50750 1 726 . 1 . 1 144 144 ARG CB C 13 29.909 0.066 . 1 . . 586 . . 144 ARG CB . 50750 1 727 . 1 . 1 144 144 ARG N N 15 116.692 0.003 . 1 . . 263 . . 144 ARG N . 50750 1 728 . 1 . 1 145 145 MET H H 1 7.880 0.001 . 1 . . 194 . . 145 MET H . 50750 1 729 . 1 . 1 145 145 MET C C 13 178.308 0.026 . 1 . . 583 . . 145 MET C . 50750 1 730 . 1 . 1 145 145 MET CA C 13 58.317 0.008 . 1 . . 635 . . 145 MET CA . 50750 1 731 . 1 . 1 145 145 MET CB C 13 33.467 0.006 . 1 . . 585 . . 145 MET CB . 50750 1 732 . 1 . 1 145 145 MET N N 15 118.704 0.005 . 1 . . 196 . . 145 MET N . 50750 1 733 . 1 . 1 146 146 MET H H 1 8.094 0.002 . 1 . . 251 . . 146 MET H . 50750 1 734 . 1 . 1 146 146 MET C C 13 178.715 0.001 . 1 . . 1173 . . 146 MET C . 50750 1 735 . 1 . 1 146 146 MET CA C 13 55.877 0.051 . 1 . . 636 . . 146 MET CA . 50750 1 736 . 1 . 1 146 146 MET CB C 13 31.393 0.023 . 1 . . 1172 . . 146 MET CB . 50750 1 737 . 1 . 1 146 146 MET N N 15 117.048 0.0 . 1 . . 253 . . 146 MET N . 50750 1 738 . 1 . 1 147 147 LEU H H 1 7.975 0.001 . 1 . . 396 . . 147 LEU H . 50750 1 739 . 1 . 1 147 147 LEU C C 13 177.489 0.001 . 1 . . 1018 . . 147 LEU C . 50750 1 740 . 1 . 1 147 147 LEU CA C 13 55.796 0.014 . 1 . . 718 . . 147 LEU CA . 50750 1 741 . 1 . 1 147 147 LEU CB C 13 42.056 . . 1 . . 762 . . 147 LEU CB . 50750 1 742 . 1 . 1 147 147 LEU N N 15 119.478 0.001 . 1 . . 397 . . 147 LEU N . 50750 1 743 . 1 . 1 148 148 ALA H H 1 7.452 0.002 . 1 . . 345 . . 148 ALA H . 50750 1 744 . 1 . 1 148 148 ALA C C 13 176.769 0.013 . 1 . . 716 . . 148 ALA C . 50750 1 745 . 1 . 1 148 148 ALA CA C 13 52.605 0.023 . 1 . . 884 . . 148 ALA CA . 50750 1 746 . 1 . 1 148 148 ALA CB C 13 18.986 0.019 . 1 . . 792 . . 148 ALA CB . 50750 1 747 . 1 . 1 148 148 ALA N N 15 122.232 0.001 . 1 . . 346 . . 148 ALA N . 50750 1 748 . 1 . 1 149 149 LYS H H 1 7.468 0.004 . 1 . . 425 . . 149 LYS H . 50750 1 749 . 1 . 1 149 149 LYS C C 13 176.259 . . 1 . . 883 . . 149 LYS C . 50750 1 750 . 1 . 1 149 149 LYS CA C 13 57.925 . . 1 . . 790 . . 149 LYS CA . 50750 1 751 . 1 . 1 149 149 LYS CB C 13 33.644 . . 1 . . 791 . . 149 LYS CB . 50750 1 752 . 1 . 1 149 149 LYS N N 15 124.917 0.001 . 1 . . 427 . . 149 LYS N . 50750 1 stop_ save_