################################### # 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 52216 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 261123_Apo_wt_MDM2 _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 3 '3D HNCO' . . . 52216 1 4 '3D HNCA' . . . 52216 1 5 '3D CBCA(CO)NH' . . . 52216 1 6 '3D HA(CO)NH' . . . 52216 1 7 '3D 15N TOCSY-HSQC' . . . 52216 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 2 $software_2 . . 52216 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 2 2 SER HA H 1 4.575 0.00 . 1 . . . . . 7 SER HA . 52216 1 2 . 1 . 1 2 2 SER C C 13 174.004 0.00 . 1 . . . . . 7 SER C . 52216 1 3 . 1 . 1 2 2 SER CA C 13 55.993 0.02 . 1 . . . . . 7 SER CA . 52216 1 4 . 1 . 1 2 2 SER CB C 13 30.255 0.00 . 1 . . . . . 7 SER CB . 52216 1 5 . 1 . 1 3 3 VAL H H 1 8.121 0.01 . 1 . . . . . 8 VAL H . 52216 1 6 . 1 . 1 3 3 VAL HA H 1 4.394 0.00 . 1 . . . . . 8 VAL HA . 52216 1 7 . 1 . 1 3 3 VAL CA C 13 57.374 0.00 . 1 . . . . . 8 VAL CA . 52216 1 8 . 1 . 1 3 3 VAL N N 15 125.510 0.01 . 1 . . . . . 8 VAL N . 52216 1 9 . 1 . 1 4 4 PRO HA H 1 4.451 0.00 . 1 . . . . . 9 PRO HA . 52216 1 10 . 1 . 1 4 4 PRO C C 13 177.198 0.00 . 1 . . . . . 9 PRO C . 52216 1 11 . 1 . 1 4 4 PRO CA C 13 63.462 0.02 . 1 . . . . . 9 PRO CA . 52216 1 12 . 1 . 1 4 4 PRO CB C 13 32.172 0.00 . 1 . . . . . 9 PRO CB . 52216 1 13 . 1 . 1 5 5 THR H H 1 8.253 0.00 . 1 . . . . . 10 THR H . 52216 1 14 . 1 . 1 5 5 THR HA H 1 4.277 0.01 . 1 . . . . . 10 THR HA . 52216 1 15 . 1 . 1 5 5 THR C C 13 174.574 0.00 . 1 . . . . . 10 THR C . 52216 1 16 . 1 . 1 5 5 THR CA C 13 61.863 0.03 . 1 . . . . . 10 THR CA . 52216 1 17 . 1 . 1 5 5 THR CB C 13 69.618 0.00 . 1 . . . . . 10 THR CB . 52216 1 18 . 1 . 1 5 5 THR N N 15 113.600 0.01 . 1 . . . . . 10 THR N . 52216 1 19 . 1 . 1 6 6 ASP H H 1 8.314 0.00 . 1 . . . . . 11 ASP H . 52216 1 20 . 1 . 1 6 6 ASP HA H 1 4.565 0.00 . 1 . . . . . 11 ASP HA . 52216 1 21 . 1 . 1 6 6 ASP HB2 H 1 2.674 0.00 . 1 . . . . . 11 ASP HB2 . 52216 1 22 . 1 . 1 6 6 ASP C C 13 176.728 0.00 . 1 . . . . . 11 ASP C . 52216 1 23 . 1 . 1 6 6 ASP CA C 13 54.491 0.02 . 1 . . . . . 11 ASP CA . 52216 1 24 . 1 . 1 6 6 ASP CB C 13 41.117 0.00 . 1 . . . . . 11 ASP CB . 52216 1 25 . 1 . 1 6 6 ASP N N 15 122.478 0.05 . 1 . . . . . 11 ASP N . 52216 1 26 . 1 . 1 7 7 GLY H H 1 8.345 0.00 . 1 . . . . . 12 GLY H . 52216 1 27 . 1 . 1 7 7 GLY HA2 H 1 3.854 0.01 . 1 . . . . . 12 GLY HA2 . 52216 1 28 . 1 . 1 7 7 GLY C C 13 173.827 0.00 . 1 . . . . . 12 GLY C . 52216 1 29 . 1 . 1 7 7 GLY CA C 13 45.402 0.08 . 1 . . . . . 12 GLY CA . 52216 1 30 . 1 . 1 7 7 GLY N N 15 109.429 0.00 . 1 . . . . . 12 GLY N . 52216 1 31 . 1 . 1 8 8 ALA H H 1 8.087 0.00 . 1 . . . . . 13 ALA H . 52216 1 32 . 1 . 1 8 8 ALA HA H 1 4.276 0.01 . 1 . . . . . 13 ALA HA . 52216 1 33 . 1 . 1 8 8 ALA C C 13 177.816 0.00 . 1 . . . . . 13 ALA C . 52216 1 34 . 1 . 1 8 8 ALA CA C 13 52.550 0.02 . 1 . . . . . 13 ALA CA . 52216 1 35 . 1 . 1 8 8 ALA CB C 13 19.335 0.00 . 1 . . . . . 13 ALA CB . 52216 1 36 . 1 . 1 8 8 ALA N N 15 123.272 0.01 . 1 . . . . . 13 ALA N . 52216 1 37 . 1 . 1 9 9 VAL H H 1 8.175 0.00 . 1 . . . . . 14 VAL H . 52216 1 38 . 1 . 1 9 9 VAL HA H 1 4.170 0.00 . 1 . . . . . 14 VAL HA . 52216 1 39 . 1 . 1 9 9 VAL HB H 1 2.049 0.00 . 1 . . . . . 14 VAL HB . 52216 1 40 . 1 . 1 9 9 VAL C C 13 176.594 0.00 . 1 . . . . . 14 VAL C . 52216 1 41 . 1 . 1 9 9 VAL CA C 13 62.234 0.02 . 1 . . . . . 14 VAL CA . 52216 1 42 . 1 . 1 9 9 VAL CB C 13 32.817 0.00 . 1 . . . . . 14 VAL CB . 52216 1 43 . 1 . 1 9 9 VAL N N 15 119.319 0.01 . 1 . . . . . 14 VAL N . 52216 1 44 . 1 . 1 10 10 THR H H 1 8.333 0.00 . 1 . . . . . 15 THR H . 52216 1 45 . 1 . 1 10 10 THR HA H 1 4.425 0.00 . 1 . . . . . 15 THR HA . 52216 1 46 . 1 . 1 10 10 THR C C 13 174.884 0.00 . 1 . . . . . 15 THR C . 52216 1 47 . 1 . 1 10 10 THR CA C 13 61.783 0.03 . 1 . . . . . 15 THR CA . 52216 1 48 . 1 . 1 10 10 THR CB C 13 69.737 0.00 . 1 . . . . . 15 THR CB . 52216 1 49 . 1 . 1 10 10 THR N N 15 118.054 0.00 . 1 . . . . . 15 THR N . 52216 1 50 . 1 . 1 11 11 THR H H 1 8.235 0.00 . 1 . . . . . 16 THR H . 52216 1 51 . 1 . 1 11 11 THR HA H 1 4.417 0.00 . 1 . . . . . 16 THR HA . 52216 1 52 . 1 . 1 11 11 THR C C 13 174.577 0.00 . 1 . . . . . 16 THR C . 52216 1 53 . 1 . 1 11 11 THR CA C 13 61.484 0.06 . 1 . . . . . 16 THR CA . 52216 1 54 . 1 . 1 11 11 THR CB C 13 69.533 0.00 . 1 . . . . . 16 THR CB . 52216 1 55 . 1 . 1 11 11 THR N N 15 116.116 0.00 . 1 . . . . . 16 THR N . 52216 1 56 . 1 . 1 12 12 SER H H 1 8.335 0.00 . 1 . . . . . 17 SER H . 52216 1 57 . 1 . 1 12 12 SER HA H 1 4.401 0.01 . 1 . . . . . 17 SER HA . 52216 1 58 . 1 . 1 12 12 SER C C 13 174.690 0.00 . 1 . . . . . 17 SER C . 52216 1 59 . 1 . 1 12 12 SER CA C 13 58.646 0.04 . 1 . . . . . 17 SER CA . 52216 1 60 . 1 . 1 12 12 SER CB C 13 63.708 0.00 . 1 . . . . . 17 SER CB . 52216 1 61 . 1 . 1 12 12 SER N N 15 118.068 0.01 . 1 . . . . . 17 SER N . 52216 1 62 . 1 . 1 13 13 GLN H H 1 8.470 0.00 . 1 . . . . . 18 GLN H . 52216 1 63 . 1 . 1 13 13 GLN HA H 1 4.516 0.00 . 1 . . . . . 18 GLN HA . 52216 1 64 . 1 . 1 13 13 GLN C C 13 174.921 0.00 . 1 . . . . . 18 GLN C . 52216 1 65 . 1 . 1 13 13 GLN CA C 13 56.171 0.05 . 1 . . . . . 18 GLN CA . 52216 1 66 . 1 . 1 13 13 GLN N N 15 121.616 0.01 . 1 . . . . . 18 GLN N . 52216 1 67 . 1 . 1 14 14 ILE H H 1 8.329 0.01 . 1 . . . . . 19 ILE H . 52216 1 68 . 1 . 1 14 14 ILE HA H 1 4.536 0.00 . 1 . . . . . 19 ILE HA . 52216 1 69 . 1 . 1 14 14 ILE CA C 13 56.023 0.00 . 1 . . . . . 19 ILE CA . 52216 1 70 . 1 . 1 14 14 ILE N N 15 120.406 0.01 . 1 . . . . . 19 ILE N . 52216 1 71 . 1 . 1 15 15 PRO HA H 1 4.381 0.00 . 1 . . . . . 20 PRO HA . 52216 1 72 . 1 . 1 15 15 PRO C C 13 177.378 0.00 . 1 . . . . . 20 PRO C . 52216 1 73 . 1 . 1 15 15 PRO CA C 13 63.286 0.00 . 1 . . . . . 20 PRO CA . 52216 1 74 . 1 . 1 15 15 PRO CB C 13 32.501 0.00 . 1 . . . . . 20 PRO CB . 52216 1 75 . 1 . 1 16 16 ALA H H 1 8.877 0.00 . 1 . . . . . 21 ALA H . 52216 1 76 . 1 . 1 16 16 ALA HA H 1 3.990 0.01 . 1 . . . . . 21 ALA HA . 52216 1 77 . 1 . 1 16 16 ALA C C 13 179.528 0.00 . 1 . . . . . 21 ALA C . 52216 1 78 . 1 . 1 16 16 ALA CA C 13 55.427 0.02 . 1 . . . . . 21 ALA CA . 52216 1 79 . 1 . 1 16 16 ALA CB C 13 18.258 0.00 . 1 . . . . . 21 ALA CB . 52216 1 80 . 1 . 1 16 16 ALA N N 15 127.084 0.00 . 1 . . . . . 21 ALA N . 52216 1 81 . 1 . 1 17 17 SER H H 1 8.607 0.01 . 1 . . . . . 22 SER H . 52216 1 82 . 1 . 1 17 17 SER HA H 1 4.131 0.02 . 1 . . . . . 22 SER HA . 52216 1 83 . 1 . 1 17 17 SER C C 13 176.630 0.00 . 1 . . . . . 22 SER C . 52216 1 84 . 1 . 1 17 17 SER CA C 13 60.454 0.03 . 1 . . . . . 22 SER CA . 52216 1 85 . 1 . 1 17 17 SER CB C 13 62.142 0.00 . 1 . . . . . 22 SER CB . 52216 1 86 . 1 . 1 17 17 SER N N 15 111.086 0.01 . 1 . . . . . 22 SER N . 52216 1 87 . 1 . 1 18 18 GLU H H 1 7.489 0.00 . 1 . . . . . 23 GLU H . 52216 1 88 . 1 . 1 18 18 GLU HA H 1 4.189 0.03 . 1 . . . . . 23 GLU HA . 52216 1 89 . 1 . 1 18 18 GLU C C 13 179.045 0.00 . 1 . . . . . 23 GLU C . 52216 1 90 . 1 . 1 18 18 GLU CA C 13 58.244 0.05 . 1 . . . . . 23 GLU CA . 52216 1 91 . 1 . 1 18 18 GLU CB C 13 29.803 0.00 . 1 . . . . . 23 GLU CB . 52216 1 92 . 1 . 1 18 18 GLU N N 15 123.151 0.01 . 1 . . . . . 23 GLU N . 52216 1 93 . 1 . 1 19 19 GLN H H 1 7.887 0.00 . 1 . . . . . 24 GLN H . 52216 1 94 . 1 . 1 19 19 GLN HA H 1 4.459 0.00 . 1 . . . . . 24 GLN HA . 52216 1 95 . 1 . 1 19 19 GLN C C 13 176.568 0.00 . 1 . . . . . 24 GLN C . 52216 1 96 . 1 . 1 19 19 GLN CA C 13 58.535 0.01 . 1 . . . . . 24 GLN CA . 52216 1 97 . 1 . 1 19 19 GLN CB C 13 29.141 0.00 . 1 . . . . . 24 GLN CB . 52216 1 98 . 1 . 1 19 19 GLN N N 15 119.109 0.01 . 1 . . . . . 24 GLN N . 52216 1 99 . 1 . 1 20 20 GLU H H 1 7.569 0.00 . 1 . . . . . 25 GLU H . 52216 1 100 . 1 . 1 20 20 GLU HA H 1 4.425 0.00 . 1 . . . . . 25 GLU HA . 52216 1 101 . 1 . 1 20 20 GLU C C 13 175.861 0.00 . 1 . . . . . 25 GLU C . 52216 1 102 . 1 . 1 20 20 GLU CA C 13 55.674 0.02 . 1 . . . . . 25 GLU CA . 52216 1 103 . 1 . 1 20 20 GLU CB C 13 29.748 0.00 . 1 . . . . . 25 GLU CB . 52216 1 104 . 1 . 1 20 20 GLU N N 15 114.406 0.01 . 1 . . . . . 25 GLU N . 52216 1 105 . 1 . 1 21 21 THR H H 1 7.505 0.00 . 1 . . . . . 26 THR H . 52216 1 106 . 1 . 1 21 21 THR HA H 1 3.964 0.01 . 1 . . . . . 26 THR HA . 52216 1 107 . 1 . 1 21 21 THR C C 13 173.096 0.00 . 1 . . . . . 26 THR C . 52216 1 108 . 1 . 1 21 21 THR CA C 13 64.811 0.02 . 1 . . . . . 26 THR CA . 52216 1 109 . 1 . 1 21 21 THR CB C 13 70.246 0.00 . 1 . . . . . 26 THR CB . 52216 1 110 . 1 . 1 21 21 THR N N 15 117.453 0.01 . 1 . . . . . 26 THR N . 52216 1 111 . 1 . 1 22 22 LEU H H 1 8.491 0.00 . 1 . . . . . 27 LEU H . 52216 1 112 . 1 . 1 22 22 LEU HA H 1 4.823 0.00 . 1 . . . . . 27 LEU HA . 52216 1 113 . 1 . 1 22 22 LEU C C 13 177.086 0.00 . 1 . . . . . 27 LEU C . 52216 1 114 . 1 . 1 22 22 LEU CA C 13 54.582 0.02 . 1 . . . . . 27 LEU CA . 52216 1 115 . 1 . 1 22 22 LEU N N 15 128.091 0.01 . 1 . . . . . 27 LEU N . 52216 1 116 . 1 . 1 23 23 VAL H H 1 9.806 0.00 . 1 . . . . . 28 VAL H . 52216 1 117 . 1 . 1 23 23 VAL HA H 1 5.051 0.00 . 1 . . . . . 28 VAL HA . 52216 1 118 . 1 . 1 23 23 VAL C C 13 173.962 0.00 . 1 . . . . . 28 VAL C . 52216 1 119 . 1 . 1 23 23 VAL CA C 13 59.236 0.02 . 1 . . . . . 28 VAL CA . 52216 1 120 . 1 . 1 23 23 VAL N N 15 117.448 0.03 . 1 . . . . . 28 VAL N . 52216 1 121 . 1 . 1 24 24 ARG H H 1 9.197 0.00 . 1 . . . . . 29 ARG H . 52216 1 122 . 1 . 1 24 24 ARG CA C 13 52.468 0.00 . 1 . . . . . 29 ARG CA . 52216 1 123 . 1 . 1 24 24 ARG N N 15 121.584 0.01 . 1 . . . . . 29 ARG N . 52216 1 124 . 1 . 1 25 25 PRO HA H 1 4.485 0.00 . 1 . . . . . 30 PRO HA . 52216 1 125 . 1 . 1 25 25 PRO C C 13 175.678 0.00 . 1 . . . . . 30 PRO C . 52216 1 126 . 1 . 1 25 25 PRO CA C 13 63.136 0.00 . 1 . . . . . 30 PRO CA . 52216 1 127 . 1 . 1 25 25 PRO CB C 13 32.746 0.00 . 1 . . . . . 30 PRO CB . 52216 1 128 . 1 . 1 26 26 LYS H H 1 8.328 0.00 . 1 . . . . . 31 LYS H . 52216 1 129 . 1 . 1 26 26 LYS HA H 1 4.360 0.00 . 1 . . . . . 31 LYS HA . 52216 1 130 . 1 . 1 26 26 LYS CA C 13 56.812 0.00 . 1 . . . . . 31 LYS CA . 52216 1 131 . 1 . 1 26 26 LYS N N 15 123.209 0.01 . 1 . . . . . 31 LYS N . 52216 1 132 . 1 . 1 27 27 PRO HA H 1 4.078 0.00 . 1 . . . . . 32 PRO HA . 52216 1 133 . 1 . 1 27 27 PRO C C 13 179.052 0.00 . 1 . . . . . 32 PRO C . 52216 1 134 . 1 . 1 27 27 PRO CA C 13 67.368 0.01 . 1 . . . . . 32 PRO CA . 52216 1 135 . 1 . 1 27 27 PRO CB C 13 32.686 0.00 . 1 . . . . . 32 PRO CB . 52216 1 136 . 1 . 1 28 28 LEU H H 1 8.951 0.00 . 1 . . . . . 33 LEU H . 52216 1 137 . 1 . 1 28 28 LEU HA H 1 4.356 0.19 . 1 . . . . . 33 LEU HA . 52216 1 138 . 1 . 1 28 28 LEU C C 13 175.765 0.00 . 1 . . . . . 33 LEU C . 52216 1 139 . 1 . 1 28 28 LEU CA C 13 56.954 1.29 . 1 . . . . . 33 LEU CA . 52216 1 140 . 1 . 1 28 28 LEU CB C 13 31.148 0.00 . 1 . . . . . 33 LEU CB . 52216 1 141 . 1 . 1 28 28 LEU N N 15 118.484 0.02 . 1 . . . . . 33 LEU N . 52216 1 142 . 1 . 1 29 29 LEU H H 1 7.379 0.00 . 1 . . . . . 34 LEU H . 52216 1 143 . 1 . 1 29 29 LEU HA H 1 4.345 0.30 . 1 . . . . . 34 LEU HA . 52216 1 144 . 1 . 1 29 29 LEU C C 13 177.889 0.00 . 1 . . . . . 34 LEU C . 52216 1 145 . 1 . 1 29 29 LEU CA C 13 56.335 0.54 . 1 . . . . . 34 LEU CA . 52216 1 146 . 1 . 1 29 29 LEU CB C 13 40.752 0.00 . 1 . . . . . 34 LEU CB . 52216 1 147 . 1 . 1 29 29 LEU N N 15 118.180 0.02 . 1 . . . . . 34 LEU N . 52216 1 148 . 1 . 1 30 30 LEU H H 1 8.609 0.00 . 1 . . . . . 35 LEU H . 52216 1 149 . 1 . 1 30 30 LEU HA H 1 3.805 0.00 . 1 . . . . . 35 LEU HA . 52216 1 150 . 1 . 1 30 30 LEU C C 13 177.734 0.00 . 1 . . . . . 35 LEU C . 52216 1 151 . 1 . 1 30 30 LEU CA C 13 58.106 0.02 . 1 . . . . . 35 LEU CA . 52216 1 152 . 1 . 1 30 30 LEU CB C 13 41.432 0.00 . 1 . . . . . 35 LEU CB . 52216 1 153 . 1 . 1 30 30 LEU N N 15 120.080 0.01 . 1 . . . . . 35 LEU N . 52216 1 154 . 1 . 1 31 31 LYS H H 1 7.941 0.00 . 1 . . . . . 36 LYS H . 52216 1 155 . 1 . 1 31 31 LYS HA H 1 3.835 0.00 . 1 . . . . . 36 LYS HA . 52216 1 156 . 1 . 1 31 31 LYS C C 13 179.250 0.00 . 1 . . . . . 36 LYS C . 52216 1 157 . 1 . 1 31 31 LYS CA C 13 59.764 0.03 . 1 . . . . . 36 LYS CA . 52216 1 158 . 1 . 1 31 31 LYS CB C 13 32.187 0.00 . 1 . . . . . 36 LYS CB . 52216 1 159 . 1 . 1 31 31 LYS N N 15 118.213 0.01 . 1 . . . . . 36 LYS N . 52216 1 160 . 1 . 1 32 32 LEU H H 1 7.304 0.00 . 1 . . . . . 37 LEU H . 52216 1 161 . 1 . 1 32 32 LEU HA H 1 3.724 0.00 . 1 . . . . . 37 LEU HA . 52216 1 162 . 1 . 1 32 32 LEU C C 13 179.928 0.00 . 1 . . . . . 37 LEU C . 52216 1 163 . 1 . 1 32 32 LEU CA C 13 59.674 0.04 . 1 . . . . . 37 LEU CA . 52216 1 164 . 1 . 1 32 32 LEU N N 15 121.231 0.02 . 1 . . . . . 37 LEU N . 52216 1 165 . 1 . 1 33 33 LEU H H 1 8.154 0.00 . 1 . . . . . 38 LEU H . 52216 1 166 . 1 . 1 33 33 LEU HA H 1 3.584 0.00 . 1 . . . . . 38 LEU HA . 52216 1 167 . 1 . 1 33 33 LEU C C 13 179.103 0.00 . 1 . . . . . 38 LEU C . 52216 1 168 . 1 . 1 33 33 LEU CA C 13 57.985 0.02 . 1 . . . . . 38 LEU CA . 52216 1 169 . 1 . 1 33 33 LEU CB C 13 39.664 0.00 . 1 . . . . . 38 LEU CB . 52216 1 170 . 1 . 1 33 33 LEU N N 15 120.438 0.02 . 1 . . . . . 38 LEU N . 52216 1 171 . 1 . 1 34 34 LYS H H 1 8.861 0.00 . 1 . . . . . 39 LYS H . 52216 1 172 . 1 . 1 34 34 LYS HA H 1 4.252 0.00 . 1 . . . . . 39 LYS HA . 52216 1 173 . 1 . 1 34 34 LYS C C 13 180.359 0.00 . 1 . . . . . 39 LYS C . 52216 1 174 . 1 . 1 34 34 LYS CA C 13 59.335 0.01 . 1 . . . . . 39 LYS CA . 52216 1 175 . 1 . 1 34 34 LYS CB C 13 32.100 0.00 . 1 . . . . . 39 LYS CB . 52216 1 176 . 1 . 1 34 34 LYS N N 15 118.147 0.02 . 1 . . . . . 39 LYS N . 52216 1 177 . 1 . 1 35 35 SER H H 1 7.892 0.00 . 1 . . . . . 40 SER H . 52216 1 178 . 1 . 1 35 35 SER HA H 1 4.405 0.00 . 1 . . . . . 40 SER HA . 52216 1 179 . 1 . 1 35 35 SER C C 13 175.382 0.00 . 1 . . . . . 40 SER C . 52216 1 180 . 1 . 1 35 35 SER CA C 13 61.736 0.00 . 1 . . . . . 40 SER CA . 52216 1 181 . 1 . 1 35 35 SER CB C 13 62.960 0.00 . 1 . . . . . 40 SER CB . 52216 1 182 . 1 . 1 35 35 SER N N 15 116.740 0.01 . 1 . . . . . 40 SER N . 52216 1 183 . 1 . 1 36 36 VAL H H 1 7.266 0.00 . 1 . . . . . 41 VAL H . 52216 1 184 . 1 . 1 36 36 VAL HA H 1 4.804 0.00 . 1 . . . . . 41 VAL HA . 52216 1 185 . 1 . 1 36 36 VAL C C 13 175.651 0.00 . 1 . . . . . 41 VAL C . 52216 1 186 . 1 . 1 36 36 VAL CA C 13 60.456 0.01 . 1 . . . . . 41 VAL CA . 52216 1 187 . 1 . 1 36 36 VAL CB C 13 30.803 0.00 . 1 . . . . . 41 VAL CB . 52216 1 188 . 1 . 1 36 36 VAL N N 15 112.532 0.00 . 1 . . . . . 41 VAL N . 52216 1 189 . 1 . 1 37 37 GLY H H 1 7.511 0.00 . 1 . . . . . 42 GLY H . 52216 1 190 . 1 . 1 37 37 GLY HA2 H 1 4.423 0.00 . 1 . . . . . 42 GLY HA2 . 52216 1 191 . 1 . 1 37 37 GLY HA3 H 1 3.724 0.00 . 1 . . . . . 42 GLY HA3 . 52216 1 192 . 1 . 1 37 37 GLY C C 13 174.465 0.00 . 1 . . . . . 42 GLY C . 52216 1 193 . 1 . 1 37 37 GLY CA C 13 45.575 0.01 . 1 . . . . . 42 GLY CA . 52216 1 194 . 1 . 1 37 37 GLY N N 15 106.182 0.01 . 1 . . . . . 42 GLY N . 52216 1 195 . 1 . 1 38 38 ALA H H 1 7.334 0.00 . 1 . . . . . 43 ALA H . 52216 1 196 . 1 . 1 38 38 ALA HA H 1 4.031 0.00 . 1 . . . . . 43 ALA HA . 52216 1 197 . 1 . 1 38 38 ALA C C 13 178.081 0.00 . 1 . . . . . 43 ALA C . 52216 1 198 . 1 . 1 38 38 ALA CA C 13 53.249 0.00 . 1 . . . . . 43 ALA CA . 52216 1 199 . 1 . 1 38 38 ALA CB C 13 18.351 0.00 . 1 . . . . . 43 ALA CB . 52216 1 200 . 1 . 1 38 38 ALA N N 15 124.969 0.01 . 1 . . . . . 43 ALA N . 52216 1 201 . 1 . 1 39 39 GLN H H 1 8.774 0.00 . 1 . . . . . 44 GLN H . 52216 1 202 . 1 . 1 39 39 GLN HA H 1 4.360 0.19 . 1 . . . . . 44 GLN HA . 52216 1 203 . 1 . 1 39 39 GLN C C 13 178.378 0.00 . 1 . . . . . 44 GLN C . 52216 1 204 . 1 . 1 39 39 GLN CA C 13 57.373 1.17 . 1 . . . . . 44 GLN CA . 52216 1 205 . 1 . 1 39 39 GLN CB C 13 41.495 0.00 . 1 . . . . . 44 GLN CB . 52216 1 206 . 1 . 1 39 39 GLN N N 15 117.975 0.00 . 1 . . . . . 44 GLN N . 52216 1 207 . 1 . 1 40 40 LYS H H 1 7.405 0.00 . 1 . . . . . 45 LYS H . 52216 1 208 . 1 . 1 40 40 LYS HA H 1 4.172 0.12 . 1 . . . . . 45 LYS HA . 52216 1 209 . 1 . 1 40 40 LYS C C 13 176.556 0.00 . 1 . . . . . 45 LYS C . 52216 1 210 . 1 . 1 40 40 LYS CA C 13 56.682 0.05 . 1 . . . . . 45 LYS CA . 52216 1 211 . 1 . 1 40 40 LYS CB C 13 30.357 0.00 . 1 . . . . . 45 LYS CB . 52216 1 212 . 1 . 1 40 40 LYS N N 15 118.335 0.01 . 1 . . . . . 45 LYS N . 52216 1 213 . 1 . 1 41 41 ASP H H 1 8.456 0.00 . 1 . . . . . 46 ASP H . 52216 1 214 . 1 . 1 41 41 ASP HA H 1 4.686 0.21 . 1 . . . . . 46 ASP HA . 52216 1 215 . 1 . 1 41 41 ASP HB2 H 1 3.856 0.00 . 1 . . . . . 46 ASP HB2 . 52216 1 216 . 1 . 1 41 41 ASP C C 13 175.747 0.00 . 1 . . . . . 46 ASP C . 52216 1 217 . 1 . 1 41 41 ASP CA C 13 56.130 1.53 . 1 . . . . . 46 ASP CA . 52216 1 218 . 1 . 1 41 41 ASP CB C 13 42.237 0.00 . 1 . . . . . 46 ASP CB . 52216 1 219 . 1 . 1 41 41 ASP N N 15 117.012 0.01 . 1 . . . . . 46 ASP N . 52216 1 220 . 1 . 1 42 42 THR H H 1 6.986 0.00 . 1 . . . . . 47 THR H . 52216 1 221 . 1 . 1 42 42 THR HA H 1 5.024 0.00 . 1 . . . . . 47 THR HA . 52216 1 222 . 1 . 1 42 42 THR C C 13 172.197 0.00 . 1 . . . . . 47 THR C . 52216 1 223 . 1 . 1 42 42 THR CA C 13 60.381 0.01 . 1 . . . . . 47 THR CA . 52216 1 224 . 1 . 1 42 42 THR CB C 13 71.731 0.00 . 1 . . . . . 47 THR CB . 52216 1 225 . 1 . 1 42 42 THR N N 15 111.016 0.01 . 1 . . . . . 47 THR N . 52216 1 226 . 1 . 1 43 43 TYR H H 1 8.709 0.00 . 1 . . . . . 48 TYR H . 52216 1 227 . 1 . 1 43 43 TYR HA H 1 4.872 0.00 . 1 . . . . . 48 TYR HA . 52216 1 228 . 1 . 1 43 43 TYR C C 13 175.831 0.00 . 1 . . . . . 48 TYR C . 52216 1 229 . 1 . 1 43 43 TYR CA C 13 57.237 0.02 . 1 . . . . . 48 TYR CA . 52216 1 230 . 1 . 1 43 43 TYR CB C 13 45.866 0.00 . 1 . . . . . 48 TYR CB . 52216 1 231 . 1 . 1 43 43 TYR N N 15 119.714 0.01 . 1 . . . . . 48 TYR N . 52216 1 232 . 1 . 1 44 44 THR H H 1 9.017 0.00 . 1 . . . . . 49 THR H . 52216 1 233 . 1 . 1 44 44 THR HA H 1 5.397 0.00 . 1 . . . . . 49 THR HA . 52216 1 234 . 1 . 1 44 44 THR C C 13 177.811 0.00 . 1 . . . . . 49 THR C . 52216 1 235 . 1 . 1 44 44 THR CA C 13 61.007 0.00 . 1 . . . . . 49 THR CA . 52216 1 236 . 1 . 1 44 44 THR N N 15 110.763 0.02 . 1 . . . . . 49 THR N . 52216 1 237 . 1 . 1 45 45 MET H H 1 8.151 0.00 . 1 . . . . . 50 MET H . 52216 1 238 . 1 . 1 45 45 MET HA H 1 4.320 0.00 . 1 . . . . . 50 MET HA . 52216 1 239 . 1 . 1 45 45 MET C C 13 178.521 0.00 . 1 . . . . . 50 MET C . 52216 1 240 . 1 . 1 45 45 MET CA C 13 57.418 0.02 . 1 . . . . . 50 MET CA . 52216 1 241 . 1 . 1 45 45 MET CB C 13 30.290 0.00 . 1 . . . . . 50 MET CB . 52216 1 242 . 1 . 1 45 45 MET N N 15 121.605 0.01 . 1 . . . . . 50 MET N . 52216 1 243 . 1 . 1 46 46 LYS H H 1 8.607 0.00 . 1 . . . . . 51 LYS H . 52216 1 244 . 1 . 1 46 46 LYS HA H 1 4.082 0.00 . 1 . . . . . 51 LYS HA . 52216 1 245 . 1 . 1 46 46 LYS C C 13 179.755 0.00 . 1 . . . . . 51 LYS C . 52216 1 246 . 1 . 1 46 46 LYS CA C 13 59.720 0.19 . 1 . . . . . 51 LYS CA . 52216 1 247 . 1 . 1 46 46 LYS CB C 13 32.653 0.00 . 1 . . . . . 51 LYS CB . 52216 1 248 . 1 . 1 46 46 LYS N N 15 117.732 0.01 . 1 . . . . . 51 LYS N . 52216 1 249 . 1 . 1 47 47 GLU H H 1 7.957 0.00 . 1 . . . . . 52 GLU H . 52216 1 250 . 1 . 1 47 47 GLU HA H 1 4.341 0.20 . 1 . . . . . 52 GLU HA . 52216 1 251 . 1 . 1 47 47 GLU C C 13 178.587 0.00 . 1 . . . . . 52 GLU C . 52216 1 252 . 1 . 1 47 47 GLU CA C 13 59.383 0.02 . 1 . . . . . 52 GLU CA . 52216 1 253 . 1 . 1 47 47 GLU CB C 13 31.593 0.00 . 1 . . . . . 52 GLU CB . 52216 1 254 . 1 . 1 47 47 GLU N N 15 120.697 0.01 . 1 . . . . . 52 GLU N . 52216 1 255 . 1 . 1 48 48 VAL H H 1 8.365 0.02 . 1 . . . . . 53 VAL H . 52216 1 256 . 1 . 1 48 48 VAL HA H 1 3.890 0.57 . 1 . . . . . 53 VAL HA . 52216 1 257 . 1 . 1 48 48 VAL C C 13 177.731 0.00 . 1 . . . . . 53 VAL C . 52216 1 258 . 1 . 1 48 48 VAL CA C 13 67.992 0.03 . 1 . . . . . 53 VAL CA . 52216 1 259 . 1 . 1 48 48 VAL N N 15 119.807 0.34 . 1 . . . . . 53 VAL N . 52216 1 260 . 1 . 1 49 49 LEU H H 1 8.323 0.00 . 1 . . . . . 54 LEU H . 52216 1 261 . 1 . 1 49 49 LEU HA H 1 3.911 0.01 . 1 . . . . . 54 LEU HA . 52216 1 262 . 1 . 1 49 49 LEU C C 13 179.846 0.00 . 1 . . . . . 54 LEU C . 52216 1 263 . 1 . 1 49 49 LEU CA C 13 57.743 0.01 . 1 . . . . . 54 LEU CA . 52216 1 264 . 1 . 1 49 49 LEU CB C 13 40.767 0.00 . 1 . . . . . 54 LEU CB . 52216 1 265 . 1 . 1 49 49 LEU N N 15 119.168 0.02 . 1 . . . . . 54 LEU N . 52216 1 266 . 1 . 1 50 50 PHE H H 1 8.102 0.00 . 1 . . . . . 55 PHE H . 52216 1 267 . 1 . 1 50 50 PHE HA H 1 4.185 0.01 . 1 . . . . . 55 PHE HA . 52216 1 268 . 1 . 1 50 50 PHE C C 13 178.656 0.00 . 1 . . . . . 55 PHE C . 52216 1 269 . 1 . 1 50 50 PHE CA C 13 61.785 0.59 . 1 . . . . . 55 PHE CA . 52216 1 270 . 1 . 1 50 50 PHE CB C 13 38.318 0.00 . 1 . . . . . 55 PHE CB . 52216 1 271 . 1 . 1 50 50 PHE N N 15 122.426 0.02 . 1 . . . . . 55 PHE N . 52216 1 272 . 1 . 1 51 51 TYR H H 1 8.561 0.00 . 1 . . . . . 56 TYR H . 52216 1 273 . 1 . 1 51 51 TYR HA H 1 3.923 0.00 . 1 . . . . . 56 TYR HA . 52216 1 274 . 1 . 1 51 51 TYR C C 13 178.290 0.00 . 1 . . . . . 56 TYR C . 52216 1 275 . 1 . 1 51 51 TYR CA C 13 62.960 0.00 . 1 . . . . . 56 TYR CA . 52216 1 276 . 1 . 1 51 51 TYR CB C 13 38.776 0.00 . 1 . . . . . 56 TYR CB . 52216 1 277 . 1 . 1 51 51 TYR N N 15 120.167 0.03 . 1 . . . . . 56 TYR N . 52216 1 278 . 1 . 1 52 52 LEU H H 1 8.939 0.00 . 1 . . . . . 57 LEU H . 52216 1 279 . 1 . 1 52 52 LEU HA H 1 3.947 0.00 . 1 . . . . . 57 LEU HA . 52216 1 280 . 1 . 1 52 52 LEU C C 13 178.911 0.00 . 1 . . . . . 57 LEU C . 52216 1 281 . 1 . 1 52 52 LEU CA C 13 58.286 0.04 . 1 . . . . . 57 LEU CA . 52216 1 282 . 1 . 1 52 52 LEU CB C 13 41.804 0.00 . 1 . . . . . 57 LEU CB . 52216 1 283 . 1 . 1 52 52 LEU N N 15 121.240 0.03 . 1 . . . . . 57 LEU N . 52216 1 284 . 1 . 1 53 53 GLY H H 1 8.167 0.00 . 1 . . . . . 58 GLY H . 52216 1 285 . 1 . 1 53 53 GLY C C 13 176.568 0.00 . 1 . . . . . 58 GLY C . 52216 1 286 . 1 . 1 53 53 GLY CA C 13 47.418 0.01 . 1 . . . . . 58 GLY CA . 52216 1 287 . 1 . 1 53 53 GLY N N 15 105.910 0.01 . 1 . . . . . 58 GLY N . 52216 1 288 . 1 . 1 54 54 GLN H H 1 7.652 0.00 . 1 . . . . . 59 GLN H . 52216 1 289 . 1 . 1 54 54 GLN HA H 1 4.011 0.01 . 1 . . . . . 59 GLN HA . 52216 1 290 . 1 . 1 54 54 GLN C C 13 178.850 0.00 . 1 . . . . . 59 GLN C . 52216 1 291 . 1 . 1 54 54 GLN CA C 13 58.384 0.04 . 1 . . . . . 59 GLN CA . 52216 1 292 . 1 . 1 54 54 GLN CB C 13 28.528 0.00 . 1 . . . . . 59 GLN CB . 52216 1 293 . 1 . 1 54 54 GLN N N 15 120.492 0.01 . 1 . . . . . 59 GLN N . 52216 1 294 . 1 . 1 55 55 TYR H H 1 8.761 0.00 . 1 . . . . . 60 TYR H . 52216 1 295 . 1 . 1 55 55 TYR HA H 1 3.850 0.00 . 1 . . . . . 60 TYR HA . 52216 1 296 . 1 . 1 55 55 TYR C C 13 175.825 0.00 . 1 . . . . . 60 TYR C . 52216 1 297 . 1 . 1 55 55 TYR CA C 13 56.750 10.55 . 1 . . . . . 60 TYR CA . 52216 1 298 . 1 . 1 55 55 TYR N N 15 124.539 0.01 . 1 . . . . . 60 TYR N . 52216 1 299 . 1 . 1 56 56 ILE H H 1 8.492 0.00 . 1 . . . . . 61 ILE H . 52216 1 300 . 1 . 1 56 56 ILE HA H 1 3.271 0.00 . 1 . . . . . 61 ILE HA . 52216 1 301 . 1 . 1 56 56 ILE C C 13 177.711 0.00 . 1 . . . . . 61 ILE C . 52216 1 302 . 1 . 1 56 56 ILE CA C 13 66.102 0.02 . 1 . . . . . 61 ILE CA . 52216 1 303 . 1 . 1 56 56 ILE N N 15 118.942 0.02 . 1 . . . . . 61 ILE N . 52216 1 304 . 1 . 1 57 57 MET H H 1 7.872 0.00 . 1 . . . . . 62 MET H . 52216 1 305 . 1 . 1 57 57 MET HA H 1 4.450 0.00 . 1 . . . . . 62 MET HA . 52216 1 306 . 1 . 1 57 57 MET C C 13 179.950 0.00 . 1 . . . . . 62 MET C . 52216 1 307 . 1 . 1 57 57 MET CA C 13 58.236 0.03 . 1 . . . . . 62 MET CA . 52216 1 308 . 1 . 1 57 57 MET CB C 13 31.878 0.00 . 1 . . . . . 62 MET CB . 52216 1 309 . 1 . 1 57 57 MET N N 15 115.493 0.01 . 1 . . . . . 62 MET N . 52216 1 310 . 1 . 1 58 58 THR H H 1 8.587 0.00 . 1 . . . . . 63 THR H . 52216 1 311 . 1 . 1 58 58 THR HA H 1 3.998 0.01 . 1 . . . . . 63 THR HA . 52216 1 312 . 1 . 1 58 58 THR C C 13 176.583 0.00 . 1 . . . . . 63 THR C . 52216 1 313 . 1 . 1 58 58 THR CA C 13 66.303 0.02 . 1 . . . . . 63 THR CA . 52216 1 314 . 1 . 1 58 58 THR CB C 13 69.219 0.00 . 1 . . . . . 63 THR CB . 52216 1 315 . 1 . 1 58 58 THR N N 15 116.303 0.01 . 1 . . . . . 63 THR N . 52216 1 316 . 1 . 1 59 59 LYS H H 1 7.885 0.00 . 1 . . . . . 64 LYS H . 52216 1 317 . 1 . 1 59 59 LYS HA H 1 4.078 0.00 . 1 . . . . . 64 LYS HA . 52216 1 318 . 1 . 1 59 59 LYS C C 13 174.726 0.00 . 1 . . . . . 64 LYS C . 52216 1 319 . 1 . 1 59 59 LYS CA C 13 55.616 0.02 . 1 . . . . . 64 LYS CA . 52216 1 320 . 1 . 1 59 59 LYS CB C 13 30.905 0.00 . 1 . . . . . 64 LYS CB . 52216 1 321 . 1 . 1 59 59 LYS N N 15 118.509 0.01 . 1 . . . . . 64 LYS N . 52216 1 322 . 1 . 1 60 60 ARG H H 1 7.610 0.00 . 1 . . . . . 65 ARG H . 52216 1 323 . 1 . 1 60 60 ARG HA H 1 3.755 0.00 . 1 . . . . . 65 ARG HA . 52216 1 324 . 1 . 1 60 60 ARG C C 13 175.871 0.00 . 1 . . . . . 65 ARG C . 52216 1 325 . 1 . 1 60 60 ARG CA C 13 56.759 0.02 . 1 . . . . . 65 ARG CA . 52216 1 326 . 1 . 1 60 60 ARG CB C 13 26.464 0.00 . 1 . . . . . 65 ARG CB . 52216 1 327 . 1 . 1 60 60 ARG N N 15 116.117 0.01 . 1 . . . . . 65 ARG N . 52216 1 328 . 1 . 1 61 61 LEU H H 1 7.672 0.00 . 1 . . . . . 66 LEU H . 52216 1 329 . 1 . 1 61 61 LEU HA H 1 4.425 0.00 . 1 . . . . . 66 LEU HA . 52216 1 330 . 1 . 1 61 61 LEU C C 13 175.881 0.00 . 1 . . . . . 66 LEU C . 52216 1 331 . 1 . 1 61 61 LEU CA C 13 54.775 0.00 . 1 . . . . . 66 LEU CA . 52216 1 332 . 1 . 1 61 61 LEU CB C 13 42.394 0.00 . 1 . . . . . 66 LEU CB . 52216 1 333 . 1 . 1 61 61 LEU N N 15 115.053 0.02 . 1 . . . . . 66 LEU N . 52216 1 334 . 1 . 1 62 62 TYR H H 1 6.807 0.00 . 1 . . . . . 67 TYR H . 52216 1 335 . 1 . 1 62 62 TYR HA H 1 5.095 0.00 . 1 . . . . . 67 TYR HA . 52216 1 336 . 1 . 1 62 62 TYR C C 13 175.789 0.00 . 1 . . . . . 67 TYR C . 52216 1 337 . 1 . 1 62 62 TYR CA C 13 55.108 0.02 . 1 . . . . . 67 TYR CA . 52216 1 338 . 1 . 1 62 62 TYR CB C 13 39.355 0.00 . 1 . . . . . 67 TYR CB . 52216 1 339 . 1 . 1 62 62 TYR N N 15 114.017 0.01 . 1 . . . . . 67 TYR N . 52216 1 340 . 1 . 1 63 63 ASP H H 1 8.619 0.00 . 1 . . . . . 68 ASP H . 52216 1 341 . 1 . 1 63 63 ASP HA H 1 4.486 0.01 . 1 . . . . . 68 ASP HA . 52216 1 342 . 1 . 1 63 63 ASP C C 13 176.660 0.00 . 1 . . . . . 68 ASP C . 52216 1 343 . 1 . 1 63 63 ASP CA C 13 54.136 0.02 . 1 . . . . . 68 ASP CA . 52216 1 344 . 1 . 1 63 63 ASP N N 15 123.412 0.01 . 1 . . . . . 68 ASP N . 52216 1 345 . 1 . 1 64 64 GLU H H 1 8.668 0.00 . 1 . . . . . 69 GLU H . 52216 1 346 . 1 . 1 64 64 GLU HA H 1 3.995 0.00 . 1 . . . . . 69 GLU HA . 52216 1 347 . 1 . 1 64 64 GLU C C 13 177.418 0.00 . 1 . . . . . 69 GLU C . 52216 1 348 . 1 . 1 64 64 GLU CA C 13 55.226 7.13 . 1 . . . . . 69 GLU CA . 52216 1 349 . 1 . 1 64 64 GLU CB C 13 30.070 0.00 . 1 . . . . . 69 GLU CB . 52216 1 350 . 1 . 1 64 64 GLU N N 15 124.157 0.01 . 1 . . . . . 69 GLU N . 52216 1 351 . 1 . 1 65 65 LYS H H 1 8.274 0.00 . 1 . . . . . 70 LYS H . 52216 1 352 . 1 . 1 65 65 LYS HA H 1 4.379 0.00 . 1 . . . . . 70 LYS HA . 52216 1 353 . 1 . 1 65 65 LYS C C 13 177.154 0.00 . 1 . . . . . 70 LYS C . 52216 1 354 . 1 . 1 65 65 LYS CA C 13 57.061 0.02 . 1 . . . . . 70 LYS CA . 52216 1 355 . 1 . 1 65 65 LYS CB C 13 33.366 0.00 . 1 . . . . . 70 LYS CB . 52216 1 356 . 1 . 1 65 65 LYS N N 15 116.410 0.00 . 1 . . . . . 70 LYS N . 52216 1 357 . 1 . 1 66 66 GLN H H 1 8.383 0.00 . 1 . . . . . 71 GLN H . 52216 1 358 . 1 . 1 66 66 GLN HA H 1 4.612 0.00 . 1 . . . . . 71 GLN HA . 52216 1 359 . 1 . 1 66 66 GLN C C 13 175.256 0.00 . 1 . . . . . 71 GLN C . 52216 1 360 . 1 . 1 66 66 GLN CA C 13 54.063 0.03 . 1 . . . . . 71 GLN CA . 52216 1 361 . 1 . 1 66 66 GLN CB C 13 29.323 0.00 . 1 . . . . . 71 GLN CB . 52216 1 362 . 1 . 1 66 66 GLN N N 15 121.113 0.01 . 1 . . . . . 71 GLN N . 52216 1 363 . 1 . 1 67 67 GLN H H 1 8.328 0.01 . 1 . . . . . 72 GLN H . 52216 1 364 . 1 . 1 67 67 GLN HA H 1 4.399 0.00 . 1 . . . . . 72 GLN HA . 52216 1 365 . 1 . 1 67 67 GLN C C 13 174.553 0.00 . 1 . . . . . 72 GLN C . 52216 1 366 . 1 . 1 67 67 GLN CA C 13 58.913 0.01 . 1 . . . . . 72 GLN CA . 52216 1 367 . 1 . 1 67 67 GLN CB C 13 27.493 0.00 . 1 . . . . . 72 GLN CB . 52216 1 368 . 1 . 1 67 67 GLN N N 15 118.990 0.03 . 1 . . . . . 72 GLN N . 52216 1 369 . 1 . 1 68 68 HIS H H 1 7.809 0.00 . 1 . . . . . 73 HIS H . 52216 1 370 . 1 . 1 68 68 HIS HA H 1 4.542 0.00 . 1 . . . . . 73 HIS HA . 52216 1 371 . 1 . 1 68 68 HIS C C 13 173.725 0.00 . 1 . . . . . 73 HIS C . 52216 1 372 . 1 . 1 68 68 HIS CA C 13 55.823 0.02 . 1 . . . . . 73 HIS CA . 52216 1 373 . 1 . 1 68 68 HIS CB C 13 30.714 0.00 . 1 . . . . . 73 HIS CB . 52216 1 374 . 1 . 1 68 68 HIS N N 15 112.627 0.01 . 1 . . . . . 73 HIS N . 52216 1 375 . 1 . 1 69 69 ILE H H 1 7.735 0.00 . 1 . . . . . 74 ILE H . 52216 1 376 . 1 . 1 69 69 ILE HA H 1 4.042 0.00 . 1 . . . . . 74 ILE HA . 52216 1 377 . 1 . 1 69 69 ILE C C 13 173.640 0.00 . 1 . . . . . 74 ILE C . 52216 1 378 . 1 . 1 69 69 ILE CA C 13 59.879 0.02 . 1 . . . . . 74 ILE CA . 52216 1 379 . 1 . 1 69 69 ILE N N 15 122.704 0.01 . 1 . . . . . 74 ILE N . 52216 1 380 . 1 . 1 70 70 VAL H H 1 8.382 0.00 . 1 . . . . . 75 VAL H . 52216 1 381 . 1 . 1 70 70 VAL HA H 1 3.759 0.00 . 1 . . . . . 75 VAL HA . 52216 1 382 . 1 . 1 70 70 VAL C C 13 174.694 0.00 . 1 . . . . . 75 VAL C . 52216 1 383 . 1 . 1 70 70 VAL CA C 13 60.713 0.02 . 1 . . . . . 75 VAL CA . 52216 1 384 . 1 . 1 70 70 VAL N N 15 126.207 0.01 . 1 . . . . . 75 VAL N . 52216 1 385 . 1 . 1 71 71 TYR H H 1 8.374 0.00 . 1 . . . . . 76 TYR H . 52216 1 386 . 1 . 1 71 71 TYR HA H 1 4.868 0.00 . 1 . . . . . 76 TYR HA . 52216 1 387 . 1 . 1 71 71 TYR CA C 13 57.401 0.00 . 1 . . . . . 76 TYR CA . 52216 1 388 . 1 . 1 71 71 TYR N N 15 125.687 0.01 . 1 . . . . . 76 TYR N . 52216 1 389 . 1 . 1 72 72 CYS HA H 1 4.880 0.00 . 1 . . . . . 77 CYS HA . 52216 1 390 . 1 . 1 72 72 CYS C C 13 173.843 0.00 . 1 . . . . . 77 CYS C . 52216 1 391 . 1 . 1 72 72 CYS CA C 13 55.813 0.02 . 1 . . . . . 77 CYS CA . 52216 1 392 . 1 . 1 72 72 CYS CB C 13 29.513 0.00 . 1 . . . . . 77 CYS CB . 52216 1 393 . 1 . 1 73 73 SER H H 1 7.789 0.00 . 1 . . . . . 78 SER H . 52216 1 394 . 1 . 1 73 73 SER HA H 1 4.308 0.00 . 1 . . . . . 78 SER HA . 52216 1 395 . 1 . 1 73 73 SER C C 13 174.739 0.00 . 1 . . . . . 78 SER C . 52216 1 396 . 1 . 1 73 73 SER CA C 13 60.497 0.01 . 1 . . . . . 78 SER CA . 52216 1 397 . 1 . 1 73 73 SER CB C 13 63.266 0.00 . 1 . . . . . 78 SER CB . 52216 1 398 . 1 . 1 73 73 SER N N 15 116.815 0.01 . 1 . . . . . 78 SER N . 52216 1 399 . 1 . 1 74 74 ASN H H 1 8.780 0.00 . 1 . . . . . 79 ASN H . 52216 1 400 . 1 . 1 74 74 ASN HA H 1 4.738 0.01 . 1 . . . . . 79 ASN HA . 52216 1 401 . 1 . 1 74 74 ASN C C 13 172.977 0.00 . 1 . . . . . 79 ASN C . 52216 1 402 . 1 . 1 74 74 ASN CA C 13 53.257 0.01 . 1 . . . . . 79 ASN CA . 52216 1 403 . 1 . 1 74 74 ASN CB C 13 38.065 0.00 . 1 . . . . . 79 ASN CB . 52216 1 404 . 1 . 1 74 74 ASN N N 15 118.227 0.04 . 1 . . . . . 79 ASN N . 52216 1 405 . 1 . 1 75 75 ASP H H 1 7.655 0.00 . 1 . . . . . 80 ASP H . 52216 1 406 . 1 . 1 75 75 ASP HA H 1 4.877 0.00 . 1 . . . . . 80 ASP HA . 52216 1 407 . 1 . 1 75 75 ASP CA C 13 53.249 0.00 . 1 . . . . . 80 ASP CA . 52216 1 408 . 1 . 1 75 75 ASP N N 15 118.475 0.01 . 1 . . . . . 80 ASP N . 52216 1 409 . 1 . 1 76 76 LEU HA H 1 4.213 0.00 . 1 . . . . . 81 LEU HA . 52216 1 410 . 1 . 1 76 76 LEU C C 13 177.961 0.00 . 1 . . . . . 81 LEU C . 52216 1 411 . 1 . 1 76 76 LEU CA C 13 58.167 0.00 . 1 . . . . . 81 LEU CA . 52216 1 412 . 1 . 1 76 76 LEU CB C 13 42.311 0.00 . 1 . . . . . 81 LEU CB . 52216 1 413 . 1 . 1 77 77 LEU H H 1 9.847 0.00 . 1 . . . . . 82 LEU H . 52216 1 414 . 1 . 1 77 77 LEU HA H 1 3.604 0.00 . 1 . . . . . 82 LEU HA . 52216 1 415 . 1 . 1 77 77 LEU C C 13 178.211 0.00 . 1 . . . . . 82 LEU C . 52216 1 416 . 1 . 1 77 77 LEU CA C 13 58.082 0.03 . 1 . . . . . 82 LEU CA . 52216 1 417 . 1 . 1 77 77 LEU N N 15 118.445 0.04 . 1 . . . . . 82 LEU N . 52216 1 418 . 1 . 1 78 78 GLY H H 1 7.753 0.00 . 1 . . . . . 83 GLY H . 52216 1 419 . 1 . 1 78 78 GLY C C 13 177.223 0.00 . 1 . . . . . 83 GLY C . 52216 1 420 . 1 . 1 78 78 GLY CA C 13 47.918 0.01 . 1 . . . . . 83 GLY CA . 52216 1 421 . 1 . 1 78 78 GLY N N 15 106.567 0.03 . 1 . . . . . 83 GLY N . 52216 1 422 . 1 . 1 79 79 ASP H H 1 7.529 0.00 . 1 . . . . . 84 ASP H . 52216 1 423 . 1 . 1 79 79 ASP HA H 1 4.406 0.00 . 1 . . . . . 84 ASP HA . 52216 1 424 . 1 . 1 79 79 ASP C C 13 178.798 0.00 . 1 . . . . . 84 ASP C . 52216 1 425 . 1 . 1 79 79 ASP CA C 13 56.864 0.02 . 1 . . . . . 84 ASP CA . 52216 1 426 . 1 . 1 79 79 ASP CB C 13 40.165 0.00 . 1 . . . . . 84 ASP CB . 52216 1 427 . 1 . 1 79 79 ASP N N 15 122.977 0.01 . 1 . . . . . 84 ASP N . 52216 1 428 . 1 . 1 80 80 LEU H H 1 8.126 0.00 . 1 . . . . . 85 LEU H . 52216 1 429 . 1 . 1 80 80 LEU HA H 1 4.080 0.00 . 1 . . . . . 85 LEU HA . 52216 1 430 . 1 . 1 80 80 LEU CA C 13 57.248 0.00 . 1 . . . . . 85 LEU CA . 52216 1 431 . 1 . 1 80 80 LEU N N 15 118.808 0.02 . 1 . . . . . 85 LEU N . 52216 1 432 . 1 . 1 81 81 PHE H H 1 8.500 0.00 . 1 . . . . . 86 PHE H . 52216 1 433 . 1 . 1 81 81 PHE HA H 1 4.770 0.14 . 1 . . . . . 86 PHE HA . 52216 1 434 . 1 . 1 81 81 PHE C C 13 176.819 0.00 . 1 . . . . . 86 PHE C . 52216 1 435 . 1 . 1 81 81 PHE CA C 13 55.805 0.00 . 1 . . . . . 86 PHE CA . 52216 1 436 . 1 . 1 81 81 PHE CB C 13 38.127 0.00 . 1 . . . . . 86 PHE CB . 52216 1 437 . 1 . 1 81 81 PHE N N 15 117.230 0.00 . 1 . . . . . 86 PHE N . 52216 1 438 . 1 . 1 82 82 GLY H H 1 8.327 0.00 . 1 . . . . . 87 GLY H . 52216 1 439 . 1 . 1 82 82 GLY HA2 H 1 3.978 0.01 . 1 . . . . . 87 GLY HA2 . 52216 1 440 . 1 . 1 82 82 GLY C C 13 174.066 0.00 . 1 . . . . . 87 GLY C . 52216 1 441 . 1 . 1 82 82 GLY CA C 13 46.507 0.01 . 1 . . . . . 87 GLY CA . 52216 1 442 . 1 . 1 82 82 GLY N N 15 108.368 0.02 . 1 . . . . . 87 GLY N . 52216 1 443 . 1 . 1 83 83 VAL H H 1 7.093 0.00 . 1 . . . . . 88 VAL H . 52216 1 444 . 1 . 1 83 83 VAL HA H 1 4.999 0.00 . 1 . . . . . 88 VAL HA . 52216 1 445 . 1 . 1 83 83 VAL CA C 13 56.954 0.00 . 1 . . . . . 88 VAL CA . 52216 1 446 . 1 . 1 83 83 VAL N N 15 108.366 0.00 . 1 . . . . . 88 VAL N . 52216 1 447 . 1 . 1 84 84 PRO HA H 1 4.468 0.00 . 1 . . . . . 89 PRO HA . 52216 1 448 . 1 . 1 84 84 PRO C C 13 176.889 0.00 . 1 . . . . . 89 PRO C . 52216 1 449 . 1 . 1 84 84 PRO CA C 13 63.216 0.00 . 1 . . . . . 89 PRO CA . 52216 1 450 . 1 . 1 84 84 PRO CB C 13 32.051 0.00 . 1 . . . . . 89 PRO CB . 52216 1 451 . 1 . 1 85 85 SER H H 1 7.220 0.00 . 1 . . . . . 90 SER H . 52216 1 452 . 1 . 1 85 85 SER HA H 1 4.498 0.98 . 1 . . . . . 90 SER HA . 52216 1 453 . 1 . 1 85 85 SER C C 13 176.800 0.00 . 1 . . . . . 90 SER C . 52216 1 454 . 1 . 1 85 85 SER CA C 13 60.853 3.00 . 1 . . . . . 90 SER CA . 52216 1 455 . 1 . 1 85 85 SER CB C 13 37.099 0.00 . 1 . . . . . 90 SER CB . 52216 1 456 . 1 . 1 85 85 SER N N 15 111.431 0.01 . 1 . . . . . 90 SER N . 52216 1 457 . 1 . 1 86 86 PHE H H 1 8.193 0.00 . 1 . . . . . 91 PHE H . 52216 1 458 . 1 . 1 86 86 PHE HA H 1 4.802 0.00 . 1 . . . . . 91 PHE HA . 52216 1 459 . 1 . 1 86 86 PHE C C 13 171.308 0.00 . 1 . . . . . 91 PHE C . 52216 1 460 . 1 . 1 86 86 PHE CA C 13 60.275 4.96 . 1 . . . . . 91 PHE CA . 52216 1 461 . 1 . 1 86 86 PHE CB C 13 39.619 0.00 . 1 . . . . . 91 PHE CB . 52216 1 462 . 1 . 1 86 86 PHE N N 15 114.091 0.01 . 1 . . . . . 91 PHE N . 52216 1 463 . 1 . 1 87 87 SER H H 1 8.764 0.00 . 1 . . . . . 92 SER H . 52216 1 464 . 1 . 1 87 87 SER HA H 1 5.614 0.00 . 1 . . . . . 92 SER HA . 52216 1 465 . 1 . 1 87 87 SER C C 13 178.052 0.00 . 1 . . . . . 92 SER C . 52216 1 466 . 1 . 1 87 87 SER CA C 13 57.576 4.54 . 1 . . . . . 92 SER CA . 52216 1 467 . 1 . 1 87 87 SER N N 15 112.617 0.01 . 1 . . . . . 92 SER N . 52216 1 468 . 1 . 1 88 88 VAL H H 1 9.315 0.42 . 1 . . . . . 93 VAL H . 52216 1 469 . 1 . 1 88 88 VAL HA H 1 4.024 0.26 . 1 . . . . . 93 VAL HA . 52216 1 470 . 1 . 1 88 88 VAL C C 13 175.672 0.00 . 1 . . . . . 93 VAL C . 52216 1 471 . 1 . 1 88 88 VAL CA C 13 63.798 0.03 . 1 . . . . . 93 VAL CA . 52216 1 472 . 1 . 1 88 88 VAL N N 15 123.844 1.07 . 1 . . . . . 93 VAL N . 52216 1 473 . 1 . 1 89 89 LYS H H 1 8.003 0.00 . 1 . . . . . 94 LYS H . 52216 1 474 . 1 . 1 89 89 LYS HA H 1 4.137 0.00 . 1 . . . . . 94 LYS HA . 52216 1 475 . 1 . 1 89 89 LYS C C 13 177.430 0.00 . 1 . . . . . 94 LYS C . 52216 1 476 . 1 . 1 89 89 LYS CA C 13 56.651 0.03 . 1 . . . . . 94 LYS CA . 52216 1 477 . 1 . 1 89 89 LYS CB C 13 32.632 0.00 . 1 . . . . . 94 LYS CB . 52216 1 478 . 1 . 1 89 89 LYS N N 15 116.425 0.02 . 1 . . . . . 94 LYS N . 52216 1 479 . 1 . 1 90 90 GLU H H 1 7.364 0.00 . 1 . . . . . 95 GLU H . 52216 1 480 . 1 . 1 90 90 GLU HA H 1 4.504 0.01 . 1 . . . . . 95 GLU HA . 52216 1 481 . 1 . 1 90 90 GLU C C 13 176.377 0.00 . 1 . . . . . 95 GLU C . 52216 1 482 . 1 . 1 90 90 GLU CA C 13 54.669 0.01 . 1 . . . . . 95 GLU CA . 52216 1 483 . 1 . 1 90 90 GLU CB C 13 27.718 0.00 . 1 . . . . . 95 GLU CB . 52216 1 484 . 1 . 1 90 90 GLU N N 15 119.984 0.01 . 1 . . . . . 95 GLU N . 52216 1 485 . 1 . 1 91 91 HIS H H 1 7.563 0.00 . 1 . . . . . 96 HIS H . 52216 1 486 . 1 . 1 91 91 HIS HA H 1 4.142 0.00 . 1 . . . . . 96 HIS HA . 52216 1 487 . 1 . 1 91 91 HIS C C 13 177.433 0.00 . 1 . . . . . 96 HIS C . 52216 1 488 . 1 . 1 91 91 HIS CA C 13 59.965 0.03 . 1 . . . . . 96 HIS CA . 52216 1 489 . 1 . 1 91 91 HIS CB C 13 31.450 0.00 . 1 . . . . . 96 HIS CB . 52216 1 490 . 1 . 1 91 91 HIS N N 15 120.527 0.01 . 1 . . . . . 96 HIS N . 52216 1 491 . 1 . 1 92 92 ARG H H 1 8.858 0.00 . 1 . . . . . 97 ARG H . 52216 1 492 . 1 . 1 92 92 ARG C C 13 178.188 0.00 . 1 . . . . . 97 ARG C . 52216 1 493 . 1 . 1 92 92 ARG CA C 13 58.284 0.03 . 1 . . . . . 97 ARG CA . 52216 1 494 . 1 . 1 92 92 ARG N N 15 118.517 0.01 . 1 . . . . . 97 ARG N . 52216 1 495 . 1 . 1 93 93 LYS H H 1 7.776 0.00 . 1 . . . . . 98 LYS H . 52216 1 496 . 1 . 1 93 93 LYS HA H 1 4.031 0.00 . 1 . . . . . 98 LYS HA . 52216 1 497 . 1 . 1 93 93 LYS C C 13 178.778 0.00 . 1 . . . . . 98 LYS C . 52216 1 498 . 1 . 1 93 93 LYS CA C 13 59.877 0.05 . 1 . . . . . 98 LYS CA . 52216 1 499 . 1 . 1 93 93 LYS CB C 13 32.265 0.00 . 1 . . . . . 98 LYS CB . 52216 1 500 . 1 . 1 93 93 LYS N N 15 120.708 0.02 . 1 . . . . . 98 LYS N . 52216 1 501 . 1 . 1 94 94 ILE H H 1 7.979 0.00 . 1 . . . . . 99 ILE H . 52216 1 502 . 1 . 1 94 94 ILE C C 13 177.444 0.00 . 1 . . . . . 99 ILE C . 52216 1 503 . 1 . 1 94 94 ILE CA C 13 65.340 0.01 . 1 . . . . . 99 ILE CA . 52216 1 504 . 1 . 1 94 94 ILE N N 15 118.923 0.02 . 1 . . . . . 99 ILE N . 52216 1 505 . 1 . 1 95 95 TYR H H 1 8.671 0.00 . 1 . . . . . 100 TYR H . 52216 1 506 . 1 . 1 95 95 TYR C C 13 172.499 0.00 . 1 . . . . . 100 TYR C . 52216 1 507 . 1 . 1 95 95 TYR CA C 13 61.646 3.53 . 1 . . . . . 100 TYR CA . 52216 1 508 . 1 . 1 95 95 TYR CB C 13 56.595 0.00 . 1 . . . . . 100 TYR CB . 52216 1 509 . 1 . 1 95 95 TYR N N 15 121.689 0.02 . 1 . . . . . 100 TYR N . 52216 1 510 . 1 . 1 96 96 THR H H 1 8.208 0.00 . 1 . . . . . 101 THR H . 52216 1 511 . 1 . 1 96 96 THR HA H 1 4.814 0.00 . 1 . . . . . 101 THR HA . 52216 1 512 . 1 . 1 96 96 THR N N 15 114.744 0.01 . 1 . . . . . 101 THR N . 52216 1 513 . 1 . 1 98 98 ILE C C 13 178.742 0.00 . 1 . . . . . 103 ILE C . 52216 1 514 . 1 . 1 98 98 ILE CA C 13 65.942 0.00 . 1 . . . . . 103 ILE CA . 52216 1 515 . 1 . 1 99 99 TYR H H 1 8.909 0.00 . 1 . . . . . 104 TYR H . 52216 1 516 . 1 . 1 99 99 TYR C C 13 177.905 0.00 . 1 . . . . . 104 TYR C . 52216 1 517 . 1 . 1 99 99 TYR CA C 13 61.019 0.02 . 1 . . . . . 104 TYR CA . 52216 1 518 . 1 . 1 99 99 TYR N N 15 119.605 0.01 . 1 . . . . . 104 TYR N . 52216 1 519 . 1 . 1 100 100 ARG H H 1 7.011 0.00 . 1 . . . . . 105 ARG H . 52216 1 520 . 1 . 1 100 100 ARG CA C 13 58.270 0.00 . 1 . . . . . 105 ARG CA . 52216 1 521 . 1 . 1 100 100 ARG N N 15 114.598 0.00 . 1 . . . . . 105 ARG N . 52216 1 522 . 1 . 1 101 101 ASN C C 13 175.017 0.00 . 1 . . . . . 106 ASN C . 52216 1 523 . 1 . 1 101 101 ASN CA C 13 53.230 0.02 . 1 . . . . . 106 ASN CA . 52216 1 524 . 1 . 1 102 102 LEU H H 1 8.470 0.00 . 1 . . . . . 107 LEU H . 52216 1 525 . 1 . 1 102 102 LEU CA C 13 58.239 0.00 . 1 . . . . . 107 LEU CA . 52216 1 526 . 1 . 1 102 102 LEU N N 15 128.904 0.01 . 1 . . . . . 107 LEU N . 52216 1 527 . 1 . 1 104 104 VAL H H 1 8.741 0.00 . 1 . . . . . 109 VAL H . 52216 1 528 . 1 . 1 104 104 VAL HA H 1 4.135 0.00 . 1 . . . . . 109 VAL HA . 52216 1 529 . 1 . 1 104 104 VAL C C 13 176.194 0.00 . 1 . . . . . 109 VAL C . 52216 1 530 . 1 . 1 104 104 VAL CA C 13 63.127 0.00 . 1 . . . . . 109 VAL CA . 52216 1 531 . 1 . 1 104 104 VAL CB C 13 32.462 0.00 . 1 . . . . . 109 VAL CB . 52216 1 532 . 1 . 1 104 104 VAL N N 15 127.799 0.01 . 1 . . . . . 109 VAL N . 52216 1 533 . 1 . 1 105 105 VAL H H 1 8.427 0.00 . 1 . . . . . 110 VAL H . 52216 1 534 . 1 . 1 105 105 VAL HA H 1 3.955 0.00 . 1 . . . . . 110 VAL HA . 52216 1 535 . 1 . 1 105 105 VAL C C 13 175.632 0.00 . 1 . . . . . 110 VAL C . 52216 1 536 . 1 . 1 105 105 VAL CA C 13 63.115 0.02 . 1 . . . . . 110 VAL CA . 52216 1 537 . 1 . 1 105 105 VAL CB C 13 32.387 0.00 . 1 . . . . . 110 VAL CB . 52216 1 538 . 1 . 1 105 105 VAL N N 15 126.979 0.01 . 1 . . . . . 110 VAL N . 52216 1 539 . 1 . 1 106 106 ASN H H 1 8.636 0.00 . 1 . . . . . 111 ASN H . 52216 1 540 . 1 . 1 106 106 ASN HA H 1 4.723 0.00 . 1 . . . . . 111 ASN HA . 52216 1 541 . 1 . 1 106 106 ASN C C 13 175.048 0.00 . 1 . . . . . 111 ASN C . 52216 1 542 . 1 . 1 106 106 ASN CA C 13 53.163 0.02 . 1 . . . . . 111 ASN CA . 52216 1 543 . 1 . 1 106 106 ASN CB C 13 38.866 0.00 . 1 . . . . . 111 ASN CB . 52216 1 544 . 1 . 1 106 106 ASN N N 15 122.660 0.01 . 1 . . . . . 111 ASN N . 52216 1 545 . 1 . 1 107 107 GLN H H 1 8.510 0.02 . 1 . . . . . 112 GLN H . 52216 1 546 . 1 . 1 107 107 GLN HA H 1 4.262 0.02 . 1 . . . . . 112 GLN HA . 52216 1 547 . 1 . 1 107 107 GLN C C 13 175.858 0.00 . 1 . . . . . 112 GLN C . 52216 1 548 . 1 . 1 107 107 GLN CA C 13 56.233 0.01 . 1 . . . . . 112 GLN CA . 52216 1 549 . 1 . 1 107 107 GLN CB C 13 29.474 0.00 . 1 . . . . . 112 GLN CB . 52216 1 550 . 1 . 1 107 107 GLN N N 15 121.633 0.01 . 1 . . . . . 112 GLN N . 52216 1 551 . 1 . 1 108 108 GLN H H 1 8.491 0.00 . 1 . . . . . 113 GLN H . 52216 1 552 . 1 . 1 108 108 GLN HA H 1 4.297 0.00 . 1 . . . . . 113 GLN HA . 52216 1 553 . 1 . 1 108 108 GLN C C 13 176.022 0.00 . 1 . . . . . 113 GLN C . 52216 1 554 . 1 . 1 108 108 GLN CA C 13 56.089 0.03 . 1 . . . . . 113 GLN CA . 52216 1 555 . 1 . 1 108 108 GLN CB C 13 29.410 0.00 . 1 . . . . . 113 GLN CB . 52216 1 556 . 1 . 1 108 108 GLN N N 15 121.315 0.01 . 1 . . . . . 113 GLN N . 52216 1 557 . 1 . 1 109 109 GLU H H 1 8.478 0.00 . 1 . . . . . 114 GLU H . 52216 1 558 . 1 . 1 109 109 GLU HA H 1 4.576 0.28 . 1 . . . . . 114 GLU HA . 52216 1 559 . 1 . 1 109 109 GLU C C 13 175.482 0.00 . 1 . . . . . 114 GLU C . 52216 1 560 . 1 . 1 109 109 GLU CA C 13 57.150 0.33 . 1 . . . . . 114 GLU CA . 52216 1 561 . 1 . 1 109 109 GLU CB C 13 38.430 0.00 . 1 . . . . . 114 GLU CB . 52216 1 562 . 1 . 1 109 109 GLU N N 15 122.301 0.00 . 1 . . . . . 114 GLU N . 52216 1 563 . 1 . 1 110 110 SER H H 1 8.433 0.00 . 1 . . . . . 115 SER H . 52216 1 564 . 1 . 1 110 110 SER HA H 1 4.680 0.20 . 1 . . . . . 115 SER HA . 52216 1 565 . 1 . 1 110 110 SER C C 13 174.742 0.00 . 1 . . . . . 115 SER C . 52216 1 566 . 1 . 1 110 110 SER CA C 13 57.018 1.19 . 1 . . . . . 115 SER CA . 52216 1 567 . 1 . 1 110 110 SER CB C 13 63.899 0.00 . 1 . . . . . 115 SER CB . 52216 1 568 . 1 . 1 110 110 SER N N 15 117.310 0.01 . 1 . . . . . 115 SER N . 52216 1 569 . 1 . 1 111 111 SER H H 1 8.496 0.00 . 1 . . . . . 116 SER H . 52216 1 570 . 1 . 1 111 111 SER HA H 1 4.466 0.00 . 1 . . . . . 116 SER HA . 52216 1 571 . 1 . 1 111 111 SER C C 13 174.383 0.00 . 1 . . . . . 116 SER C . 52216 1 572 . 1 . 1 111 111 SER CA C 13 58.506 0.03 . 1 . . . . . 116 SER CA . 52216 1 573 . 1 . 1 111 111 SER CB C 13 63.815 0.00 . 1 . . . . . 116 SER CB . 52216 1 574 . 1 . 1 111 111 SER N N 15 118.144 0.01 . 1 . . . . . 116 SER N . 52216 1 575 . 1 . 1 112 112 ASP H H 1 8.411 0.00 . 1 . . . . . 117 ASP H . 52216 1 576 . 1 . 1 112 112 ASP HA H 1 4.627 0.03 . 1 . . . . . 117 ASP HA . 52216 1 577 . 1 . 1 112 112 ASP HB2 H 1 2.667 0.00 . 1 . . . . . 117 ASP HB2 . 52216 1 578 . 1 . 1 112 112 ASP C C 13 176.494 0.00 . 1 . . . . . 117 ASP C . 52216 1 579 . 1 . 1 112 112 ASP CA C 13 54.374 0.03 . 1 . . . . . 117 ASP CA . 52216 1 580 . 1 . 1 112 112 ASP CB C 13 41.240 0.00 . 1 . . . . . 117 ASP CB . 52216 1 581 . 1 . 1 112 112 ASP N N 15 122.432 0.00 . 1 . . . . . 117 ASP N . 52216 1 582 . 1 . 1 113 113 SER H H 1 8.352 0.00 . 1 . . . . . 118 SER H . 52216 1 583 . 1 . 1 113 113 SER HA H 1 4.406 0.00 . 1 . . . . . 118 SER HA . 52216 1 584 . 1 . 1 113 113 SER HB2 H 1 3.954 0.00 . 1 . . . . . 118 SER HB2 . 52216 1 585 . 1 . 1 113 113 SER HB3 H 1 3.872 0.00 . 1 . . . . . 118 SER HB3 . 52216 1 586 . 1 . 1 113 113 SER C C 13 175.307 0.00 . 1 . . . . . 118 SER C . 52216 1 587 . 1 . 1 113 113 SER CA C 13 58.892 0.01 . 1 . . . . . 118 SER CA . 52216 1 588 . 1 . 1 113 113 SER CB C 13 63.733 0.00 . 1 . . . . . 118 SER CB . 52216 1 589 . 1 . 1 113 113 SER N N 15 116.601 0.01 . 1 . . . . . 118 SER N . 52216 1 590 . 1 . 1 114 114 GLY H H 1 8.526 0.00 . 1 . . . . . 119 GLY H . 52216 1 591 . 1 . 1 114 114 GLY HA2 H 1 4.001 0.00 . 1 . . . . . 119 GLY HA2 . 52216 1 592 . 1 . 1 114 114 GLY C C 13 174.513 0.00 . 1 . . . . . 119 GLY C . 52216 1 593 . 1 . 1 114 114 GLY CA C 13 45.534 0.00 . 1 . . . . . 119 GLY CA . 52216 1 594 . 1 . 1 114 114 GLY N N 15 110.884 0.00 . 1 . . . . . 119 GLY N . 52216 1 595 . 1 . 1 115 115 THR H H 1 8.067 0.00 . 1 . . . . . 120 THR H . 52216 1 596 . 1 . 1 115 115 THR HA H 1 4.370 0.00 . 1 . . . . . 120 THR HA . 52216 1 597 . 1 . 1 115 115 THR C C 13 174.740 0.00 . 1 . . . . . 120 THR C . 52216 1 598 . 1 . 1 115 115 THR CA C 13 61.882 0.01 . 1 . . . . . 120 THR CA . 52216 1 599 . 1 . 1 115 115 THR CB C 13 69.818 0.00 . 1 . . . . . 120 THR CB . 52216 1 600 . 1 . 1 115 115 THR N N 15 113.436 0.00 . 1 . . . . . 120 THR N . 52216 1 601 . 1 . 1 116 116 SER H H 1 8.412 0.00 . 1 . . . . . 121 SER H . 52216 1 602 . 1 . 1 116 116 SER HA H 1 4.486 0.00 . 1 . . . . . 121 SER HA . 52216 1 603 . 1 . 1 116 116 SER HB2 H 1 3.852 0.00 . 1 . . . . . 121 SER HB2 . 52216 1 604 . 1 . 1 116 116 SER C C 13 174.678 0.00 . 1 . . . . . 121 SER C . 52216 1 605 . 1 . 1 116 116 SER CA C 13 58.400 0.03 . 1 . . . . . 121 SER CA . 52216 1 606 . 1 . 1 116 116 SER CB C 13 63.727 0.00 . 1 . . . . . 121 SER CB . 52216 1 607 . 1 . 1 116 116 SER N N 15 118.654 0.03 . 1 . . . . . 121 SER N . 52216 1 608 . 1 . 1 117 117 VAL H H 1 8.243 0.00 . 1 . . . . . 122 VAL H . 52216 1 609 . 1 . 1 117 117 VAL HA H 1 4.184 0.03 . 1 . . . . . 122 VAL HA . 52216 1 610 . 1 . 1 117 117 VAL HB H 1 2.087 0.00 . 1 . . . . . 122 VAL HB . 52216 1 611 . 1 . 1 117 117 VAL C C 13 176.114 0.00 . 1 . . . . . 122 VAL C . 52216 1 612 . 1 . 1 117 117 VAL CA C 13 58.615 2.72 . 1 . . . . . 122 VAL CA . 52216 1 613 . 1 . 1 117 117 VAL CB C 13 32.601 0.00 . 1 . . . . . 122 VAL CB . 52216 1 614 . 1 . 1 117 117 VAL N N 15 121.680 0.01 . 1 . . . . . 122 VAL N . 52216 1 615 . 1 . 1 118 118 SER H H 1 8.372 0.00 . 1 . . . . . 123 SER H . 52216 1 616 . 1 . 1 118 118 SER HA H 1 4.496 0.10 . 1 . . . . . 123 SER HA . 52216 1 617 . 1 . 1 118 118 SER HB2 H 1 3.823 0.00 . 1 . . . . . 123 SER HB2 . 52216 1 618 . 1 . 1 118 118 SER HB3 H 1 3.834 0.00 . 1 . . . . . 123 SER HB3 . 52216 1 619 . 1 . 1 118 118 SER C C 13 174.688 0.00 . 1 . . . . . 123 SER C . 52216 1 620 . 1 . 1 118 118 SER CA C 13 58.461 0.02 . 1 . . . . . 123 SER CA . 52216 1 621 . 1 . 1 118 118 SER CB C 13 63.752 0.00 . 1 . . . . . 123 SER CB . 52216 1 622 . 1 . 1 118 118 SER N N 15 119.075 0.00 . 1 . . . . . 123 SER N . 52216 1 623 . 1 . 1 119 119 GLU H H 1 8.454 0.00 . 1 . . . . . 124 GLU H . 52216 1 624 . 1 . 1 119 119 GLU HB2 H 1 1.973 0.00 . 1 . . . . . 124 GLU HB2 . 52216 1 625 . 1 . 1 119 119 GLU HB3 H 1 1.869 0.00 . 1 . . . . . 124 GLU HB3 . 52216 1 626 . 1 . 1 119 119 GLU CA C 13 56.728 0.00 . 1 . . . . . 124 GLU CA . 52216 1 627 . 1 . 1 119 119 GLU N N 15 122.814 0.01 . 1 . . . . . 124 GLU N . 52216 1 stop_ save_