################################### # 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 53814 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '_Assigned_chem_shift_list.HSPB8_8M_UREA' _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' . . . 53814 1 2 '3D HNCO' . . . 53814 1 3 '3D HNCACB' . . . 53814 1 4 '3D HN(CO)CACB' . . . 53814 1 5 '3D 1H-15N TOCSY' . . . 53814 1 6 HNN . . . 53814 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 . . 53814 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 SER C C 13 172.028 0 . 1 . . . . . 71 SER C . 53814 1 2 . 1 . 1 3 3 SER CA C 13 55.834 0.002 . 1 . . . . . 71 SER CA . 53814 1 3 . 1 . 1 3 3 SER CB C 13 61.422 0.029 . 1 . . . . . 71 SER CB . 53814 1 4 . 1 . 1 4 4 GLU H H 1 8.697 0.006 . 1 . . . . . 72 GLU H . 53814 1 5 . 1 . 1 4 4 GLU HA H 1 4.286 0 . 1 . . . . . 72 GLU HA . 53814 1 6 . 1 . 1 4 4 GLU HB2 H 1 1.912 0 . 1 . . . . . 72 GLU HB2 . 53814 1 7 . 1 . 1 4 4 GLU HB3 H 1 1.914 0 . 1 . . . . . 72 GLU HB3 . 53814 1 8 . 1 . 1 4 4 GLU HG2 H 1 2.162 0 . 1 . . . . . 72 GLU HG2 . 53814 1 9 . 1 . 1 4 4 GLU C C 13 173.565 0 . 1 . . . . . 72 GLU C . 53814 1 10 . 1 . 1 4 4 GLU CA C 13 54.163 0.019 . 1 . . . . . 72 GLU CA . 53814 1 11 . 1 . 1 4 4 GLU CB C 13 27.685 0.08 . 1 . . . . . 72 GLU CB . 53814 1 12 . 1 . 1 4 4 GLU N N 15 123 0 . 1 . . . . . 72 GLU N . 53814 1 13 . 1 . 1 5 5 PHE H H 1 8.326 0.005 . 1 . . . . . 73 PHE H . 53814 1 14 . 1 . 1 5 5 PHE HA H 1 4.71 0 . 1 . . . . . 73 PHE HA . 53814 1 15 . 1 . 1 5 5 PHE HB2 H 1 3.209 0 . 1 . . . . . 73 PHE HB2 . 53814 1 16 . 1 . 1 5 5 PHE HB3 H 1 3.031 0 . 1 . . . . . 73 PHE HB3 . 53814 1 17 . 1 . 1 5 5 PHE C C 13 173.227 0 . 1 . . . . . 73 PHE C . 53814 1 18 . 1 . 1 5 5 PHE CA C 13 55.309 0.087 . 1 . . . . . 73 PHE CA . 53814 1 19 . 1 . 1 5 5 PHE CB C 13 37.01 0.066 . 1 . . . . . 73 PHE CB . 53814 1 20 . 1 . 1 5 5 PHE N N 15 120.986 0.009 . 1 . . . . . 73 PHE N . 53814 1 21 . 1 . 1 6 6 THR H H 1 8.105 0.005 . 1 . . . . . 74 THR H . 53814 1 22 . 1 . 1 6 6 THR HA H 1 4.367 0 . 1 . . . . . 74 THR HA . 53814 1 23 . 1 . 1 6 6 THR HB H 1 4.216 0 . 1 . . . . . 74 THR HB . 53814 1 24 . 1 . 1 6 6 THR HG21 H 1 1.239 0 . 1 . . . . . 74 THR HG2 . 53814 1 25 . 1 . 1 6 6 THR HG22 H 1 1.239 0 . 1 . . . . . 74 THR HG2 . 53814 1 26 . 1 . 1 6 6 THR HG23 H 1 1.239 0 . 1 . . . . . 74 THR HG2 . 53814 1 27 . 1 . 1 6 6 THR C C 13 171.422 0 . 1 . . . . . 74 THR C . 53814 1 28 . 1 . 1 6 6 THR CA C 13 59.118 0.034 . 1 . . . . . 74 THR CA . 53814 1 29 . 1 . 1 6 6 THR CB C 13 67.545 0.051 . 1 . . . . . 74 THR CB . 53814 1 30 . 1 . 1 6 6 THR N N 15 116.307 0 . 1 . . . . . 74 THR N . 53814 1 31 . 1 . 1 7 7 ALA H H 1 8.315 0.003 . 1 . . . . . 75 ALA H . 53814 1 32 . 1 . 1 7 7 ALA HA H 1 4.399 0 . 1 . . . . . 75 ALA HA . 53814 1 33 . 1 . 1 7 7 ALA HB1 H 1 1.46 0 . 1 . . . . . 75 ALA HB . 53814 1 34 . 1 . 1 7 7 ALA HB2 H 1 1.46 0 . 1 . . . . . 75 ALA HB . 53814 1 35 . 1 . 1 7 7 ALA HB3 H 1 1.46 0 . 1 . . . . . 75 ALA HB . 53814 1 36 . 1 . 1 7 7 ALA C C 13 175.136 0 . 1 . . . . . 75 ALA C . 53814 1 37 . 1 . 1 7 7 ALA CA C 13 50.03 0.088 . 1 . . . . . 75 ALA CA . 53814 1 38 . 1 . 1 7 7 ALA CB C 13 16.653 0.081 . 1 . . . . . 75 ALA CB . 53814 1 39 . 1 . 1 7 7 ALA N N 15 126.71 0 . 1 . . . . . 75 ALA N . 53814 1 40 . 1 . 1 8 8 THR H H 1 8.113 0.005 . 1 . . . . . 76 THR H . 53814 1 41 . 1 . 1 8 8 THR HA H 1 4.358 0 . 1 . . . . . 76 THR HA . 53814 1 42 . 1 . 1 8 8 THR HB H 1 4.236 0 . 1 . . . . . 76 THR HB . 53814 1 43 . 1 . 1 8 8 THR HG21 H 1 1.275 0 . 1 . . . . . 76 THR HG2 . 53814 1 44 . 1 . 1 8 8 THR HG22 H 1 1.275 0 . 1 . . . . . 76 THR HG2 . 53814 1 45 . 1 . 1 8 8 THR HG23 H 1 1.275 0 . 1 . . . . . 76 THR HG2 . 53814 1 46 . 1 . 1 8 8 THR C C 13 171.736 0 . 1 . . . . . 76 THR C . 53814 1 47 . 1 . 1 8 8 THR CA C 13 59.195 0.048 . 1 . . . . . 76 THR CA . 53814 1 48 . 1 . 1 8 8 THR CB C 13 67.365 0.063 . 1 . . . . . 76 THR CB . 53814 1 49 . 1 . 1 8 8 THR N N 15 113.141 0 . 1 . . . . . 76 THR N . 53814 1 50 . 1 . 1 9 9 ALA H H 1 8.27 0.004 . 1 . . . . . 77 ALA H . 53814 1 51 . 1 . 1 9 9 ALA HA H 1 4.277 0 . 1 . . . . . 77 ALA HA . 53814 1 52 . 1 . 1 9 9 ALA HB1 H 1 1.353 0 . 1 . . . . . 77 ALA HB . 53814 1 53 . 1 . 1 9 9 ALA HB2 H 1 1.353 0 . 1 . . . . . 77 ALA HB . 53814 1 54 . 1 . 1 9 9 ALA HB3 H 1 1.353 0 . 1 . . . . . 77 ALA HB . 53814 1 55 . 1 . 1 9 9 ALA C C 13 174.748 0 . 1 . . . . . 77 ALA C . 53814 1 56 . 1 . 1 9 9 ALA CA C 13 49.955 0.042 . 1 . . . . . 77 ALA CA . 53814 1 57 . 1 . 1 9 9 ALA CB C 13 16.693 0.045 . 1 . . . . . 77 ALA CB . 53814 1 58 . 1 . 1 9 9 ALA N N 15 126.531 0 . 1 . . . . . 77 ALA N . 53814 1 59 . 1 . 1 10 10 ARG H H 1 8.269 0.006 . 1 . . . . . 78 ARG H . 53814 1 60 . 1 . 1 10 10 ARG HA H 1 4.274 0 . 1 . . . . . 78 ARG HA . 53814 1 61 . 1 . 1 10 10 ARG HB2 H 1 1.875 0 . 1 . . . . . 78 ARG HB2 . 53814 1 62 . 1 . 1 10 10 ARG HB3 H 1 1.708 0 . 1 . . . . . 78 ARG HB3 . 53814 1 63 . 1 . 1 10 10 ARG HG2 H 1 1.482 0 . 1 . . . . . 78 ARG HG2 . 53814 1 64 . 1 . 1 10 10 ARG HD2 H 1 3.174 0 . 1 . . . . . 78 ARG HD2 . 53814 1 65 . 1 . 1 10 10 ARG C C 13 173.282 0 . 1 . . . . . 78 ARG C . 53814 1 66 . 1 . 1 10 10 ARG CA C 13 53.693 0.006 . 1 . . . . . 78 ARG CA . 53814 1 67 . 1 . 1 10 10 ARG CB C 13 28.348 0.141 . 1 . . . . . 78 ARG CB . 53814 1 68 . 1 . 1 10 10 ARG N N 15 120.549 0 . 1 . . . . . 78 ARG N . 53814 1 69 . 1 . 1 11 11 PHE H H 1 8.331 0.004 . 1 . . . . . 79 PHE H . 53814 1 70 . 1 . 1 11 11 PHE HA H 1 4.705 0 . 1 . . . . . 79 PHE HA . 53814 1 71 . 1 . 1 11 11 PHE HB2 H 1 3.192 0 . 1 . . . . . 79 PHE HB2 . 53814 1 72 . 1 . 1 11 11 PHE HB3 H 1 3.032 0 . 1 . . . . . 79 PHE HB3 . 53814 1 73 . 1 . 1 11 11 PHE C C 13 173.551 0 . 1 . . . . . 79 PHE C . 53814 1 74 . 1 . 1 11 11 PHE CA C 13 55.051 0.068 . 1 . . . . . 79 PHE CA . 53814 1 75 . 1 . 1 11 11 PHE CB C 13 37.124 0.06 . 1 . . . . . 79 PHE CB . 53814 1 76 . 1 . 1 11 11 PHE N N 15 120.807 0 . 1 . . . . . 79 PHE N . 53814 1 77 . 1 . 1 12 12 GLY H H 1 8.379 0.007 . 1 . . . . . 80 GLY H . 53814 1 78 . 1 . 1 12 12 GLY HA2 H 1 3.965 0 . 1 . . . . . 80 GLY HA2 . 53814 1 79 . 1 . 1 12 12 GLY HA3 H 1 3.965 0 . 1 . . . . . 80 GLY HA3 . 53814 1 80 . 1 . 1 12 12 GLY C C 13 170.825 0 . 1 . . . . . 80 GLY C . 53814 1 81 . 1 . 1 12 12 GLY CA C 13 42.391 0.06 . 1 . . . . . 80 GLY CA . 53814 1 82 . 1 . 1 12 12 GLY N N 15 110.486 0 . 1 . . . . . 80 GLY N . 53814 1 83 . 1 . 1 13 13 VAL H H 1 8.03 0.007 . 1 . . . . . 81 VAL H . 53814 1 84 . 1 . 1 13 13 VAL HA H 1 4.47 0 . 1 . . . . . 81 VAL HA . 53814 1 85 . 1 . 1 13 13 VAL HB H 1 2.098 0 . 1 . . . . . 81 VAL HB . 53814 1 86 . 1 . 1 13 13 VAL HG11 H 1 0.987 0 . 1 . . . . . 81 VAL HG1 . 53814 1 87 . 1 . 1 13 13 VAL HG12 H 1 0.987 0 . 1 . . . . . 81 VAL HG1 . 53814 1 88 . 1 . 1 13 13 VAL HG13 H 1 0.987 0 . 1 . . . . . 81 VAL HG1 . 53814 1 89 . 1 . 1 13 13 VAL CA C 13 57.099 0 . 1 . . . . . 81 VAL CA . 53814 1 90 . 1 . 1 13 13 VAL CB C 13 30.038 0 . 1 . . . . . 81 VAL CB . 53814 1 91 . 1 . 1 13 13 VAL N N 15 120.096 0.002 . 1 . . . . . 81 VAL N . 53814 1 92 . 1 . 1 14 14 PRO C C 13 172.827 0 . 1 . . . . . 82 PRO C . 53814 1 93 . 1 . 1 14 14 PRO CA C 13 60.717 0.048 . 1 . . . . . 82 PRO CA . 53814 1 94 . 1 . 1 14 14 PRO CB C 13 29.518 0.061 . 1 . . . . . 82 PRO CB . 53814 1 95 . 1 . 1 15 15 ALA H H 1 8.461 0.01 . 1 . . . . . 83 ALA H . 53814 1 96 . 1 . 1 15 15 ALA HA H 1 4.296 0 . 1 . . . . . 83 ALA HA . 53814 1 97 . 1 . 1 15 15 ALA HB1 H 1 1.428 0 . 1 . . . . . 83 ALA HB . 53814 1 98 . 1 . 1 15 15 ALA HB2 H 1 1.428 0 . 1 . . . . . 83 ALA HB . 53814 1 99 . 1 . 1 15 15 ALA HB3 H 1 1.428 0 . 1 . . . . . 83 ALA HB . 53814 1 100 . 1 . 1 15 15 ALA C C 13 175.167 0 . 1 . . . . . 83 ALA C . 53814 1 101 . 1 . 1 15 15 ALA CA C 13 49.985 0.097 . 1 . . . . . 83 ALA CA . 53814 1 102 . 1 . 1 15 15 ALA CB C 13 16.54 0.067 . 1 . . . . . 83 ALA CB . 53814 1 103 . 1 . 1 15 15 ALA N N 15 124.74 0.008 . 1 . . . . . 83 ALA N . 53814 1 104 . 1 . 1 16 16 GLU H H 1 8.486 0.01 . 1 . . . . . 84 GLU H . 53814 1 105 . 1 . 1 16 16 GLU HA H 1 4.317 0 . 1 . . . . . 84 GLU HA . 53814 1 106 . 1 . 1 16 16 GLU HB2 H 1 2.005 0 . 1 . . . . . 84 GLU HB2 . 53814 1 107 . 1 . 1 16 16 GLU HB3 H 1 2.008 0 . 1 . . . . . 84 GLU HB3 . 53814 1 108 . 1 . 1 16 16 GLU HG2 H 1 2.301 0 . 1 . . . . . 84 GLU HG2 . 53814 1 109 . 1 . 1 16 16 GLU HG3 H 1 2.296 0 . 1 . . . . . 84 GLU HG3 . 53814 1 110 . 1 . 1 16 16 GLU C C 13 174.268 0 . 1 . . . . . 84 GLU C . 53814 1 111 . 1 . 1 16 16 GLU CA C 13 54.032 0.061 . 1 . . . . . 84 GLU CA . 53814 1 112 . 1 . 1 16 16 GLU CB C 13 27.903 0.097 . 1 . . . . . 84 GLU CB . 53814 1 113 . 1 . 1 16 16 GLU N N 15 119.885 0.063 . 1 . . . . . 84 GLU N . 53814 1 114 . 1 . 1 17 17 GLY H H 1 8.423 0.007 . 1 . . . . . 85 GLY H . 53814 1 115 . 1 . 1 17 17 GLY HA2 H 1 3.968 0 . 1 . . . . . 85 GLY HA2 . 53814 1 116 . 1 . 1 17 17 GLY HA3 H 1 3.974 0 . 1 . . . . . 85 GLY HA3 . 53814 1 117 . 1 . 1 17 17 GLY C C 13 174.76 0 . 1 . . . . . 85 GLY C . 53814 1 118 . 1 . 1 17 17 GLY CA C 13 42.523 0.057 . 1 . . . . . 85 GLY CA . 53814 1 119 . 1 . 1 17 17 GLY N N 15 109.799 0 . 1 . . . . . 85 GLY N . 53814 1 120 . 1 . 1 18 18 ARG H H 1 8.265 0.01 . 1 . . . . . 86 ARG H . 53814 1 121 . 1 . 1 18 18 ARG HA H 1 4.287 0 . 1 . . . . . 86 ARG HA . 53814 1 122 . 1 . 1 18 18 ARG HB2 H 1 1.867 0 . 1 . . . . . 86 ARG HB2 . 53814 1 123 . 1 . 1 18 18 ARG HB3 H 1 1.699 0 . 1 . . . . . 86 ARG HB3 . 53814 1 124 . 1 . 1 18 18 ARG HG3 H 1 1.479 0 . 1 . . . . . 86 ARG HG3 . 53814 1 125 . 1 . 1 18 18 ARG HD2 H 1 3.193 0 . 1 . . . . . 86 ARG HD2 . 53814 1 126 . 1 . 1 18 18 ARG C C 13 173.751 0 . 1 . . . . . 86 ARG C . 53814 1 127 . 1 . 1 18 18 ARG CA C 13 53.471 0.086 . 1 . . . . . 86 ARG CA . 53814 1 128 . 1 . 1 18 18 ARG CB C 13 28.551 0.039 . 1 . . . . . 86 ARG CB . 53814 1 129 . 1 . 1 18 18 ARG N N 15 120.547 0.005 . 1 . . . . . 86 ARG N . 53814 1 130 . 1 . 1 19 19 THR H H 1 8.381 0.006 . 1 . . . . . 87 THR H . 53814 1 131 . 1 . 1 19 19 THR HA H 1 4.503 0 . 1 . . . . . 87 THR HA . 53814 1 132 . 1 . 1 19 19 THR HB H 1 3.837 0 . 1 . . . . . 87 THR HB . 53814 1 133 . 1 . 1 19 19 THR HG21 H 1 1.291 0 . 1 . . . . . 87 THR HG2 . 53814 1 134 . 1 . 1 19 19 THR HG22 H 1 1.291 0 . 1 . . . . . 87 THR HG2 . 53814 1 135 . 1 . 1 19 19 THR HG23 H 1 1.291 0 . 1 . . . . . 87 THR HG2 . 53814 1 136 . 1 . 1 19 19 THR CA C 13 57.414 0 . 1 . . . . . 87 THR CA . 53814 1 137 . 1 . 1 19 19 THR CB C 13 66.971 0 . 1 . . . . . 87 THR CB . 53814 1 138 . 1 . 1 19 19 THR N N 15 118.253 0 . 1 . . . . . 87 THR N . 53814 1 139 . 1 . 1 22 22 PRO C C 13 172.244 0 . 1 . . . . . 90 PRO C . 53814 1 140 . 1 . 1 22 22 PRO CA C 13 60.389 0.031 . 1 . . . . . 90 PRO CA . 53814 1 141 . 1 . 1 22 22 PRO CB C 13 29.233 0.019 . 1 . . . . . 90 PRO CB . 53814 1 142 . 1 . 1 22 22 PRO CG C 13 29.252 0 . 1 . . . . . 90 PRO CG . 53814 1 143 . 1 . 1 23 23 PHE H H 1 8.304 0.002 . 1 . . . . . 91 PHE H . 53814 1 144 . 1 . 1 23 23 PHE HA H 1 4.86 0 . 1 . . . . . 91 PHE HA . 53814 1 145 . 1 . 1 23 23 PHE HB2 H 1 3.167 0 . 1 . . . . . 91 PHE HB2 . 53814 1 146 . 1 . 1 23 23 PHE HB3 H 1 3.03 0 . 1 . . . . . 91 PHE HB3 . 53814 1 147 . 1 . 1 23 23 PHE CA C 13 52.907 0 . 1 . . . . . 91 PHE CA . 53814 1 148 . 1 . 1 23 23 PHE CB C 13 36.553 0 . 1 . . . . . 91 PHE CB . 53814 1 149 . 1 . 1 23 23 PHE N N 15 121.333 0.019 . 1 . . . . . 91 PHE N . 53814 1 150 . 1 . 1 24 24 PRO C C 13 174.326 0 . 1 . . . . . 92 PRO C . 53814 1 151 . 1 . 1 24 24 PRO CA C 13 61.009 0.007 . 1 . . . . . 92 PRO CA . 53814 1 152 . 1 . 1 24 24 PRO CB C 13 29.369 0.062 . 1 . . . . . 92 PRO CB . 53814 1 153 . 1 . 1 25 25 GLY H H 1 7.998 0.01 . 1 . . . . . 93 GLY H . 53814 1 154 . 1 . 1 25 25 GLY HA2 H 1 3.969 0 . 1 . . . . . 93 GLY HA2 . 53814 1 155 . 1 . 1 25 25 GLY HA3 H 1 3.979 0 . 1 . . . . . 93 GLY HA3 . 53814 1 156 . 1 . 1 25 25 GLY C C 13 171.168 0 . 1 . . . . . 93 GLY C . 53814 1 157 . 1 . 1 25 25 GLY CA C 13 42.48 0.05 . 1 . . . . . 93 GLY CA . 53814 1 158 . 1 . 1 25 25 GLY N N 15 108.871 0 . 1 . . . . . 93 GLY N . 53814 1 159 . 1 . 1 26 26 GLU H H 1 8.228 0.01 . 1 . . . . . 94 GLU H . 53814 1 160 . 1 . 1 26 26 GLU HA H 1 4.502 0 . 1 . . . . . 94 GLU HA . 53814 1 161 . 1 . 1 26 26 GLU HB2 H 1 1.753 0 . 1 . . . . . 94 GLU HB2 . 53814 1 162 . 1 . 1 26 26 GLU HB3 H 1 1.753 0 . 1 . . . . . 94 GLU HB3 . 53814 1 163 . 1 . 1 26 26 GLU CA C 13 53.737 0 . 1 . . . . . 94 GLU CA . 53814 1 164 . 1 . 1 26 26 GLU CB C 13 30.708 0 . 1 . . . . . 94 GLU CB . 53814 1 165 . 1 . 1 26 26 GLU N N 15 121.008 0.016 . 1 . . . . . 94 GLU N . 53814 1 166 . 1 . 1 27 27 PRO C C 13 173.832 0 . 1 . . . . . 95 PRO C . 53814 1 167 . 1 . 1 27 27 PRO CA C 13 60.968 0.058 . 1 . . . . . 95 PRO CA . 53814 1 168 . 1 . 1 27 27 PRO CB C 13 29.414 0.101 . 1 . . . . . 95 PRO CB . 53814 1 169 . 1 . 1 28 28 TRP H H 1 7.909 0.003 . 1 . . . . . 96 TRP H . 53814 1 170 . 1 . 1 28 28 TRP HA H 1 4.68 0 . 1 . . . . . 96 TRP HA . 53814 1 171 . 1 . 1 28 28 TRP HB2 H 1 3.311 0 . 1 . . . . . 96 TRP HB2 . 53814 1 172 . 1 . 1 28 28 TRP HB3 H 1 3.295 0 . 1 . . . . . 96 TRP HB3 . 53814 1 173 . 1 . 1 28 28 TRP C C 13 173.451 0 . 1 . . . . . 96 TRP C . 53814 1 174 . 1 . 1 28 28 TRP CA C 13 54.407 0.097 . 1 . . . . . 96 TRP CA . 53814 1 175 . 1 . 1 28 28 TRP CB C 13 26.639 0.064 . 1 . . . . . 96 TRP CB . 53814 1 176 . 1 . 1 28 28 TRP N N 15 119.928 0 . 1 . . . . . 96 TRP N . 53814 1 177 . 1 . 1 29 29 LYS H H 1 8.051 0.11 . 1 . . . . . 97 LYS H . 53814 1 178 . 1 . 1 29 29 LYS HA H 1 4.302 0 . 1 . . . . . 97 LYS HA . 53814 1 179 . 1 . 1 29 29 LYS HB2 H 1 1.743 0 . 1 . . . . . 97 LYS HB2 . 53814 1 180 . 1 . 1 29 29 LYS HG2 H 1 1.328 0.094 . 1 . . . . . 97 LYS HG2 . 53814 1 181 . 1 . 1 29 29 LYS HG3 H 1 1.616 0 . 1 . . . . . 97 LYS HG3 . 53814 1 182 . 1 . 1 29 29 LYS C C 13 173.326 0 . 1 . . . . . 97 LYS C . 53814 1 183 . 1 . 1 29 29 LYS CA C 13 53.648 0.046 . 1 . . . . . 97 LYS CA . 53814 1 184 . 1 . 1 29 29 LYS CB C 13 30.858 0.141 . 1 . . . . . 97 LYS CB . 53814 1 185 . 1 . 1 29 29 LYS N N 15 123.601 0.43 . 1 . . . . . 97 LYS N . 53814 1 186 . 1 . 1 30 30 VAL H H 1 8.106 0.005 . 1 . . . . . 98 VAL H . 53814 1 187 . 1 . 1 30 30 VAL HA H 1 4.082 0 . 1 . . . . . 98 VAL HA . 53814 1 188 . 1 . 1 30 30 VAL HB H 1 2.06 0 . 1 . . . . . 98 VAL HB . 53814 1 189 . 1 . 1 30 30 VAL HG11 H 1 0.971 0 . 1 . . . . . 98 VAL HG1 . 53814 1 190 . 1 . 1 30 30 VAL HG12 H 1 0.971 0 . 1 . . . . . 98 VAL HG1 . 53814 1 191 . 1 . 1 30 30 VAL HG13 H 1 0.971 0 . 1 . . . . . 98 VAL HG1 . 53814 1 192 . 1 . 1 30 30 VAL C C 13 173.253 0 . 1 . . . . . 98 VAL C . 53814 1 193 . 1 . 1 30 30 VAL CA C 13 59.575 0.058 . 1 . . . . . 98 VAL CA . 53814 1 194 . 1 . 1 30 30 VAL CB C 13 30.318 0.269 . 1 . . . . . 98 VAL CB . 53814 1 195 . 1 . 1 30 30 VAL N N 15 121.362 0.003 . 1 . . . . . 98 VAL N . 53814 1 196 . 1 . 1 31 31 CYS H H 1 8.531 0.009 . 1 . . . . . 99 CYS H . 53814 1 197 . 1 . 1 31 31 CYS HA H 1 4.602 0 . 1 . . . . . 99 CYS HA . 53814 1 198 . 1 . 1 31 31 CYS HB2 H 1 2.915 0 . 1 . . . . . 99 CYS HB2 . 53814 1 199 . 1 . 1 31 31 CYS HB3 H 1 2.909 0 . 1 . . . . . 99 CYS HB3 . 53814 1 200 . 1 . 1 31 31 CYS C C 13 171.778 0 . 1 . . . . . 99 CYS C . 53814 1 201 . 1 . 1 31 31 CYS CA C 13 55.749 0.032 . 1 . . . . . 99 CYS CA . 53814 1 202 . 1 . 1 31 31 CYS CB C 13 25.613 0.002 . 1 . . . . . 99 CYS CB . 53814 1 203 . 1 . 1 31 31 CYS N N 15 123.969 0 . 1 . . . . . 99 CYS N . 53814 1 204 . 1 . 1 32 32 VAL H H 1 8.321 0.005 . 1 . . . . . 100 VAL H . 53814 1 205 . 1 . 1 32 32 VAL HA H 1 4.179 0 . 1 . . . . . 100 VAL HA . 53814 1 206 . 1 . 1 32 32 VAL HB H 1 2.081 0 . 1 . . . . . 100 VAL HB . 53814 1 207 . 1 . 1 32 32 VAL HG11 H 1 0.946 0 . 1 . . . . . 100 VAL HG1 . 53814 1 208 . 1 . 1 32 32 VAL HG12 H 1 0.946 0 . 1 . . . . . 100 VAL HG1 . 53814 1 209 . 1 . 1 32 32 VAL HG13 H 1 0.946 0 . 1 . . . . . 100 VAL HG1 . 53814 1 210 . 1 . 1 32 32 VAL C C 13 172.832 0 . 1 . . . . . 100 VAL C . 53814 1 211 . 1 . 1 32 32 VAL CA C 13 59.548 0.097 . 1 . . . . . 100 VAL CA . 53814 1 212 . 1 . 1 32 32 VAL CB C 13 30.37 0.03 . 1 . . . . . 100 VAL CB . 53814 1 213 . 1 . 1 32 32 VAL N N 15 122.647 0 . 1 . . . . . 100 VAL N . 53814 1 214 . 1 . 1 33 33 ASN H H 1 8.538 0.034 . 1 . . . . . 101 ASN H . 53814 1 215 . 1 . 1 33 33 ASN HA H 1 4.636 0.051 . 1 . . . . . 101 ASN HA . 53814 1 216 . 1 . 1 33 33 ASN HB2 H 1 3.01 0.133 . 1 . . . . . 101 ASN HB2 . 53814 1 217 . 1 . 1 33 33 ASN HB3 H 1 3.067 0.259 . 1 . . . . . 101 ASN HB3 . 53814 1 218 . 1 . 1 33 33 ASN C C 13 172.509 0 . 1 . . . . . 101 ASN C . 53814 1 219 . 1 . 1 33 33 ASN CA C 13 50.312 0.045 . 1 . . . . . 101 ASN CA . 53814 1 220 . 1 . 1 33 33 ASN CB C 13 36.365 0.076 . 1 . . . . . 101 ASN CB . 53814 1 221 . 1 . 1 33 33 ASN N N 15 122.665 0.041 . 1 . . . . . 101 ASN N . 53814 1 222 . 1 . 1 34 34 VAL H H 1 8.142 0.006 . 1 . . . . . 102 VAL H . 53814 1 223 . 1 . 1 34 34 VAL HA H 1 4.099 0 . 1 . . . . . 102 VAL HA . 53814 1 224 . 1 . 1 34 34 VAL HB H 1 2.064 0 . 1 . . . . . 102 VAL HB . 53814 1 225 . 1 . 1 34 34 VAL HG11 H 1 0.899 0 . 1 . . . . . 102 VAL HG1 . 53814 1 226 . 1 . 1 34 34 VAL HG12 H 1 0.899 0 . 1 . . . . . 102 VAL HG1 . 53814 1 227 . 1 . 1 34 34 VAL HG13 H 1 0.899 0 . 1 . . . . . 102 VAL HG1 . 53814 1 228 . 1 . 1 34 34 VAL C C 13 172.787 0 . 1 . . . . . 102 VAL C . 53814 1 229 . 1 . 1 34 34 VAL CA C 13 59.73 0.091 . 1 . . . . . 102 VAL CA . 53814 1 230 . 1 . 1 34 34 VAL CB C 13 30.057 0.129 . 1 . . . . . 102 VAL CB . 53814 1 231 . 1 . 1 34 34 VAL N N 15 120.487 0.009 . 1 . . . . . 102 VAL N . 53814 1 232 . 1 . 1 35 35 HIS H H 1 8.514 0.023 . 1 . . . . . 103 HIS H . 53814 1 233 . 1 . 1 35 35 HIS HA H 1 4.685 0 . 1 . . . . . 103 HIS HA . 53814 1 234 . 1 . 1 35 35 HIS HB2 H 1 3.128 0 . 1 . . . . . 103 HIS HB2 . 53814 1 235 . 1 . 1 35 35 HIS C C 13 173.153 0 . 1 . . . . . 103 HIS C . 53814 1 236 . 1 . 1 35 35 HIS CA C 13 53.203 0 . 1 . . . . . 103 HIS CA . 53814 1 237 . 1 . 1 35 35 HIS CB C 13 27.592 0 . 1 . . . . . 103 HIS CB . 53814 1 238 . 1 . 1 35 35 HIS N N 15 122.068 0.006 . 1 . . . . . 103 HIS N . 53814 1 239 . 1 . 1 36 36 SER C C 13 174.113 0 . 1 . . . . . 104 SER C . 53814 1 240 . 1 . 1 36 36 SER CA C 13 55.686 0.04 . 1 . . . . . 104 SER CA . 53814 1 241 . 1 . 1 36 36 SER CB C 13 61.364 0.014 . 1 . . . . . 104 SER CB . 53814 1 242 . 1 . 1 37 37 PHE H H 1 8.411 0.007 . 1 . . . . . 105 PHE H . 53814 1 243 . 1 . 1 37 37 PHE HA H 1 4.686 0 . 1 . . . . . 105 PHE HA . 53814 1 244 . 1 . 1 37 37 PHE HB2 H 1 3.082 0 . 1 . . . . . 105 PHE HB2 . 53814 1 245 . 1 . 1 37 37 PHE HB3 H 1 3.069 0 . 1 . . . . . 105 PHE HB3 . 53814 1 246 . 1 . 1 37 37 PHE C C 13 172.812 0 . 1 . . . . . 105 PHE C . 53814 1 247 . 1 . 1 37 37 PHE CA C 13 55.137 0.027 . 1 . . . . . 105 PHE CA . 53814 1 248 . 1 . 1 37 37 PHE CB C 13 37.228 0.066 . 1 . . . . . 105 PHE CB . 53814 1 249 . 1 . 1 37 37 PHE N N 15 122.815 0 . 1 . . . . . 105 PHE N . 53814 1 250 . 1 . 1 38 38 LYS H H 1 8.45 0.008 . 1 . . . . . 106 LYS H . 53814 1 251 . 1 . 1 38 38 LYS HA H 1 4.326 0 . 1 . . . . . 106 LYS HA . 53814 1 252 . 1 . 1 38 38 LYS HB2 H 1 1.812 0 . 1 . . . . . 106 LYS HB2 . 53814 1 253 . 1 . 1 38 38 LYS HB3 H 1 1.688 0 . 1 . . . . . 106 LYS HB3 . 53814 1 254 . 1 . 1 38 38 LYS CA C 13 55.136 0 . 1 . . . . . 106 LYS CA . 53814 1 255 . 1 . 1 38 38 LYS CB C 13 30.199 0 . 1 . . . . . 106 LYS CB . 53814 1 256 . 1 . 1 38 38 LYS N N 15 125.15 0 . 1 . . . . . 106 LYS N . 53814 1 257 . 1 . 1 39 39 PRO C C 13 174.484 0 . 1 . . . . . 107 PRO C . 53814 1 258 . 1 . 1 39 39 PRO CA C 13 60.926 0.043 . 1 . . . . . 107 PRO CA . 53814 1 259 . 1 . 1 39 39 PRO CB C 13 29.571 0.062 . 1 . . . . . 107 PRO CB . 53814 1 260 . 1 . 1 40 40 GLU H H 1 8.84 0.007 . 1 . . . . . 108 GLU H . 53814 1 261 . 1 . 1 40 40 GLU HA H 1 4.233 0 . 1 . . . . . 108 GLU HA . 53814 1 262 . 1 . 1 40 40 GLU HB2 H 1 2.027 0 . 1 . . . . . 108 GLU HB2 . 53814 1 263 . 1 . 1 40 40 GLU HB3 H 1 2.02 0 . 1 . . . . . 108 GLU HB3 . 53814 1 264 . 1 . 1 40 40 GLU HG2 H 1 2.314 0 . 1 . . . . . 108 GLU HG2 . 53814 1 265 . 1 . 1 40 40 GLU C C 13 174.105 0 . 1 . . . . . 108 GLU C . 53814 1 266 . 1 . 1 40 40 GLU CA C 13 54.542 0.056 . 1 . . . . . 108 GLU CA . 53814 1 267 . 1 . 1 40 40 GLU CB C 13 27.484 0.012 . 1 . . . . . 108 GLU CB . 53814 1 268 . 1 . 1 40 40 GLU N N 15 120.8 0 . 1 . . . . . 108 GLU N . 53814 1 269 . 1 . 1 41 41 GLU H H 1 8.432 0.002 . 1 . . . . . 109 GLU H . 53814 1 270 . 1 . 1 41 41 GLU HA H 1 4.301 0 . 1 . . . . . 109 GLU HA . 53814 1 271 . 1 . 1 41 41 GLU HB2 H 1 2.041 0 . 1 . . . . . 109 GLU HB2 . 53814 1 272 . 1 . 1 41 41 GLU HB3 H 1 2.033 0 . 1 . . . . . 109 GLU HB3 . 53814 1 273 . 1 . 1 41 41 GLU HG3 H 1 2.305 0 . 1 . . . . . 109 GLU HG3 . 53814 1 274 . 1 . 1 41 41 GLU C C 13 173.642 0 . 1 . . . . . 109 GLU C . 53814 1 275 . 1 . 1 41 41 GLU CA C 13 53.888 0.071 . 1 . . . . . 109 GLU CA . 53814 1 276 . 1 . 1 41 41 GLU CB C 13 27.736 0.013 . 1 . . . . . 109 GLU CB . 53814 1 277 . 1 . 1 41 41 GLU N N 15 121.543 0 . 1 . . . . . 109 GLU N . 53814 1 278 . 1 . 1 42 42 LEU H H 1 8.197 0.003 . 1 . . . . . 110 LEU H . 53814 1 279 . 1 . 1 42 42 LEU HA H 1 4.387 0 . 1 . . . . . 110 LEU HA . 53814 1 280 . 1 . 1 42 42 LEU HB2 H 1 1.657 0 . 1 . . . . . 110 LEU HB2 . 53814 1 281 . 1 . 1 42 42 LEU HD11 H 1 0.921 0 . 1 . . . . . 110 LEU HD1 . 53814 1 282 . 1 . 1 42 42 LEU HD12 H 1 0.921 0 . 1 . . . . . 110 LEU HD1 . 53814 1 283 . 1 . 1 42 42 LEU HD13 H 1 0.921 0 . 1 . . . . . 110 LEU HD1 . 53814 1 284 . 1 . 1 42 42 LEU C C 13 174.103 0 . 1 . . . . . 110 LEU C . 53814 1 285 . 1 . 1 42 42 LEU CA C 13 52.342 0.039 . 1 . . . . . 110 LEU CA . 53814 1 286 . 1 . 1 42 42 LEU CB C 13 39.855 0.049 . 1 . . . . . 110 LEU CB . 53814 1 287 . 1 . 1 42 42 LEU N N 15 122.894 0 . 1 . . . . . 110 LEU N . 53814 1 288 . 1 . 1 43 43 MET H H 1 8.409 0.005 . 1 . . . . . 111 MET H . 53814 1 289 . 1 . 1 43 43 MET HA H 1 4.298 0 . 1 . . . . . 111 MET HA . 53814 1 290 . 1 . 1 43 43 MET HB2 H 1 2.029 0 . 1 . . . . . 111 MET HB2 . 53814 1 291 . 1 . 1 43 43 MET HG2 H 1 2.565 0 . 1 . . . . . 111 MET HG2 . 53814 1 292 . 1 . 1 43 43 MET C C 13 173.284 0 . 1 . . . . . 111 MET C . 53814 1 293 . 1 . 1 43 43 MET CA C 13 53.08 0.022 . 1 . . . . . 111 MET CA . 53814 1 294 . 1 . 1 43 43 MET CB C 13 30.581 0.044 . 1 . . . . . 111 MET CB . 53814 1 295 . 1 . 1 43 43 MET N N 15 121.76 0 . 1 . . . . . 111 MET N . 53814 1 296 . 1 . 1 44 44 VAL H H 1 8.233 0.006 . 1 . . . . . 112 VAL H . 53814 1 297 . 1 . 1 44 44 VAL HA H 1 4.19 0 . 1 . . . . . 112 VAL HA . 53814 1 298 . 1 . 1 44 44 VAL HB H 1 2.075 0 . 1 . . . . . 112 VAL HB . 53814 1 299 . 1 . 1 44 44 VAL HG11 H 1 0.962 0 . 1 . . . . . 112 VAL HG1 . 53814 1 300 . 1 . 1 44 44 VAL HG12 H 1 0.962 0 . 1 . . . . . 112 VAL HG1 . 53814 1 301 . 1 . 1 44 44 VAL HG13 H 1 0.962 0 . 1 . . . . . 112 VAL HG1 . 53814 1 302 . 1 . 1 44 44 VAL C C 13 172.789 0 . 1 . . . . . 112 VAL C . 53814 1 303 . 1 . 1 44 44 VAL CA C 13 58.678 1.115 . 1 . . . . . 112 VAL CA . 53814 1 304 . 1 . 1 44 44 VAL CB C 13 30.369 0.034 . 1 . . . . . 112 VAL CB . 53814 1 305 . 1 . 1 44 44 VAL N N 15 122.108 0 . 1 . . . . . 112 VAL N . 53814 1 306 . 1 . 1 45 45 LYS H H 1 8.492 0.086 . 1 . . . . . 113 LYS H . 53814 1 307 . 1 . 1 45 45 LYS HA H 1 4.623 0 . 1 . . . . . 113 LYS HA . 53814 1 308 . 1 . 1 45 45 LYS HB2 H 1 1.736 0 . 1 . . . . . 113 LYS HB2 . 53814 1 309 . 1 . 1 45 45 LYS HB3 H 1 1.626 0 . 1 . . . . . 113 LYS HB3 . 53814 1 310 . 1 . 1 45 45 LYS C C 13 174.051 0 . 1 . . . . . 113 LYS C . 53814 1 311 . 1 . 1 45 45 LYS CA C 13 53.582 0.023 . 1 . . . . . 113 LYS CA . 53814 1 312 . 1 . 1 45 45 LYS CB C 13 30.759 0.081 . 1 . . . . . 113 LYS CB . 53814 1 313 . 1 . 1 45 45 LYS N N 15 125.56 1.301 . 1 . . . . . 113 LYS N . 53814 1 314 . 1 . 1 46 46 THR H H 1 8.289 0.06 . 1 . . . . . 114 THR H . 53814 1 315 . 1 . 1 46 46 THR HA H 1 4.42 0.042 . 1 . . . . . 114 THR HA . 53814 1 316 . 1 . 1 46 46 THR HB H 1 4.309 0 . 1 . . . . . 114 THR HB . 53814 1 317 . 1 . 1 46 46 THR HG21 H 1 1.24 0 . 1 . . . . . 114 THR HG1 . 53814 1 318 . 1 . 1 46 46 THR HG22 H 1 1.24 0 . 1 . . . . . 114 THR HG1 . 53814 1 319 . 1 . 1 46 46 THR HG23 H 1 1.24 0 . 1 . . . . . 114 THR HG1 . 53814 1 320 . 1 . 1 46 46 THR C C 13 172.131 0 . 1 . . . . . 114 THR C . 53814 1 321 . 1 . 1 46 46 THR CA C 13 59.021 0.039 . 1 . . . . . 114 THR CA . 53814 1 322 . 1 . 1 46 46 THR CB C 13 67.807 0.049 . 1 . . . . . 114 THR CB . 53814 1 323 . 1 . 1 46 46 THR N N 15 115.995 0.036 . 1 . . . . . 114 THR N . 53814 1 324 . 1 . 1 47 47 LYS H H 1 8.553 0.002 . 1 . . . . . 115 LYS H . 53814 1 325 . 1 . 1 47 47 LYS HA H 1 4.329 0 . 1 . . . . . 115 LYS HA . 53814 1 326 . 1 . 1 47 47 LYS HB2 H 1 1.916 0 . 1 . . . . . 115 LYS HB2 . 53814 1 327 . 1 . 1 47 47 LYS HB3 H 1 1.787 0 . 1 . . . . . 115 LYS HB3 . 53814 1 328 . 1 . 1 47 47 LYS HG3 H 1 1.463 0 . 1 . . . . . 115 LYS HG3 . 53814 1 329 . 1 . 1 47 47 LYS C C 13 173.633 0 . 1 . . . . . 115 LYS C . 53814 1 330 . 1 . 1 47 47 LYS CA C 13 54.077 0.096 . 1 . . . . . 115 LYS CA . 53814 1 331 . 1 . 1 47 47 LYS CB C 13 30.516 0.062 . 1 . . . . . 115 LYS CB . 53814 1 332 . 1 . 1 47 47 LYS N N 15 123.251 0.006 . 1 . . . . . 115 LYS N . 53814 1 333 . 1 . 1 48 48 ASP H H 1 8.376 0.004 . 1 . . . . . 116 ASP H . 53814 1 334 . 1 . 1 48 48 ASP HA H 1 4.646 0 . 1 . . . . . 116 ASP HA . 53814 1 335 . 1 . 1 48 48 ASP HB2 H 1 2.756 0 . 1 . . . . . 116 ASP HB2 . 53814 1 336 . 1 . 1 48 48 ASP HB3 H 1 2.69 0 . 1 . . . . . 116 ASP HB3 . 53814 1 337 . 1 . 1 48 48 ASP C C 13 173.811 0 . 1 . . . . . 116 ASP C . 53814 1 338 . 1 . 1 48 48 ASP CA C 13 51.854 0.019 . 1 . . . . . 116 ASP CA . 53814 1 339 . 1 . 1 48 48 ASP CB C 13 38.86 0.037 . 1 . . . . . 116 ASP CB . 53814 1 340 . 1 . 1 48 48 ASP N N 15 120.921 0 . 1 . . . . . 116 ASP N . 53814 1 341 . 1 . 1 49 49 GLY H H 1 8.259 0.005 . 1 . . . . . 117 GLY H . 53814 1 342 . 1 . 1 49 49 GLY HA2 H 1 3.979 0 . 1 . . . . . 117 GLY HA2 . 53814 1 343 . 1 . 1 49 49 GLY HA3 H 1 3.972 0 . 1 . . . . . 117 GLY HA3 . 53814 1 344 . 1 . 1 49 49 GLY C C 13 170.945 0 . 1 . . . . . 117 GLY C . 53814 1 345 . 1 . 1 49 49 GLY CA C 13 42.659 0.05 . 1 . . . . . 117 GLY CA . 53814 1 346 . 1 . 1 49 49 GLY N N 15 108.849 0 . 1 . . . . . 117 GLY N . 53814 1 347 . 1 . 1 50 50 TYR H H 1 8.147 0.008 . 1 . . . . . 118 TYR H . 53814 1 348 . 1 . 1 50 50 TYR HA H 1 4.635 0 . 1 . . . . . 118 TYR HA . 53814 1 349 . 1 . 1 50 50 TYR HB2 H 1 3.002 0 . 1 . . . . . 118 TYR HB2 . 53814 1 350 . 1 . 1 50 50 TYR HB3 H 1 2.992 0 . 1 . . . . . 118 TYR HB3 . 53814 1 351 . 1 . 1 50 50 TYR CA C 13 55.465 0.096 . 1 . . . . . 118 TYR CA . 53814 1 352 . 1 . 1 50 50 TYR CB C 13 36.663 0.066 . 1 . . . . . 118 TYR CB . 53814 1 353 . 1 . 1 50 50 TYR N N 15 120.904 0.008 . 1 . . . . . 118 TYR N . 53814 1 354 . 1 . 1 51 51 VAL H H 1 8.138 0.007 . 1 . . . . . 119 VAL H . 53814 1 355 . 1 . 1 51 51 VAL HA H 1 4.107 0 . 1 . . . . . 119 VAL HA . 53814 1 356 . 1 . 1 51 51 VAL HB H 1 1.991 0 . 1 . . . . . 119 VAL HB . 53814 1 357 . 1 . 1 51 51 VAL HG11 H 1 0.905 0 . 1 . . . . . 119 VAL HG1 . 53814 1 358 . 1 . 1 51 51 VAL HG12 H 1 0.905 0 . 1 . . . . . 119 VAL HG1 . 53814 1 359 . 1 . 1 51 51 VAL HG13 H 1 0.905 0 . 1 . . . . . 119 VAL HG1 . 53814 1 360 . 1 . 1 51 51 VAL C C 13 172.569 0 . 1 . . . . . 119 VAL C . 53814 1 361 . 1 . 1 51 51 VAL CA C 13 59.192 0.028 . 1 . . . . . 119 VAL CA . 53814 1 362 . 1 . 1 51 51 VAL CB C 13 30.921 0.026 . 1 . . . . . 119 VAL CB . 53814 1 363 . 1 . 1 51 51 VAL N N 15 123.707 0 . 1 . . . . . 119 VAL N . 53814 1 364 . 1 . 1 52 52 GLU H H 1 8.499 0.006 . 1 . . . . . 120 GLU H . 53814 1 365 . 1 . 1 52 52 GLU HA H 1 4.355 0 . 1 . . . . . 120 GLU HA . 53814 1 366 . 1 . 1 52 52 GLU HB2 H 1 2.007 0 . 1 . . . . . 120 GLU HB2 . 53814 1 367 . 1 . 1 52 52 GLU HB3 H 1 2.002 0 . 1 . . . . . 120 GLU HB3 . 53814 1 368 . 1 . 1 52 52 GLU HG3 H 1 2.306 0 . 1 . . . . . 120 GLU HG3 . 53814 1 369 . 1 . 1 52 52 GLU C C 13 173.723 0 . 1 . . . . . 120 GLU C . 53814 1 370 . 1 . 1 52 52 GLU CA C 13 53.728 0.089 . 1 . . . . . 120 GLU CA . 53814 1 371 . 1 . 1 52 52 GLU CB C 13 27.85 0.049 . 1 . . . . . 120 GLU CB . 53814 1 372 . 1 . 1 52 52 GLU N N 15 125.713 0 . 1 . . . . . 120 GLU N . 53814 1 373 . 1 . 1 53 53 VAL H H 1 8.331 0.009 . 1 . . . . . 121 VAL H . 53814 1 374 . 1 . 1 53 53 VAL HA H 1 4.215 0 . 1 . . . . . 121 VAL HA . 53814 1 375 . 1 . 1 53 53 VAL HB H 1 2.127 0 . 1 . . . . . 121 VAL HB . 53814 1 376 . 1 . 1 53 53 VAL HG21 H 1 0.972 0 . 1 . . . . . 121 VAL HG2 . 53814 1 377 . 1 . 1 53 53 VAL HG22 H 1 0.972 0 . 1 . . . . . 121 VAL HG2 . 53814 1 378 . 1 . 1 53 53 VAL HG23 H 1 0.972 0 . 1 . . . . . 121 VAL HG2 . 53814 1 379 . 1 . 1 53 53 VAL C C 13 173.515 0 . 1 . . . . . 121 VAL C . 53814 1 380 . 1 . 1 53 53 VAL CA C 13 59.544 0.037 . 1 . . . . . 121 VAL CA . 53814 1 381 . 1 . 1 53 53 VAL CB C 13 30.318 0.071 . 1 . . . . . 121 VAL CB . 53814 1 382 . 1 . 1 53 53 VAL N N 15 122.107 0 . 1 . . . . . 121 VAL N . 53814 1 383 . 1 . 1 54 54 SER H H 1 8.499 0.004 . 1 . . . . . 122 SER H . 53814 1 384 . 1 . 1 54 54 SER HA H 1 4.524 0 . 1 . . . . . 122 SER HA . 53814 1 385 . 1 . 1 54 54 SER HB2 H 1 3.926 0 . 1 . . . . . 122 SER HB2 . 53814 1 386 . 1 . 1 54 54 SER HB3 H 1 3.936 0 . 1 . . . . . 122 SER HB3 . 53814 1 387 . 1 . 1 54 54 SER C C 13 172.404 0 . 1 . . . . . 122 SER C . 53814 1 388 . 1 . 1 54 54 SER CA C 13 55.677 0.037 . 1 . . . . . 122 SER CA . 53814 1 389 . 1 . 1 54 54 SER CB C 13 61.582 0.034 . 1 . . . . . 122 SER CB . 53814 1 390 . 1 . 1 54 54 SER N N 15 119.575 0 . 1 . . . . . 122 SER N . 53814 1 391 . 1 . 1 55 55 GLY H H 1 8.497 0.003 . 1 . . . . . 123 GLY H . 53814 1 392 . 1 . 1 55 55 GLY HA2 H 1 4.008 0 . 1 . . . . . 123 GLY HA2 . 53814 1 393 . 1 . 1 55 55 GLY HA3 H 1 4.008 0 . 1 . . . . . 123 GLY HA3 . 53814 1 394 . 1 . 1 55 55 GLY C C 13 171.167 0 . 1 . . . . . 123 GLY C . 53814 1 395 . 1 . 1 55 55 GLY CA C 13 42.499 0.025 . 1 . . . . . 123 GLY CA . 53814 1 396 . 1 . 1 55 55 GLY N N 15 111.034 0 . 1 . . . . . 123 GLY N . 53814 1 397 . 1 . 1 56 56 LYS H H 1 8.226 0.009 . 1 . . . . . 124 LYS H . 53814 1 398 . 1 . 1 56 56 LYS HA H 1 4.419 0.078 . 1 . . . . . 124 LYS HA . 53814 1 399 . 1 . 1 56 56 LYS HB2 H 1 1.759 0 . 1 . . . . . 124 LYS HB2 . 53814 1 400 . 1 . 1 56 56 LYS HB3 H 1 1.733 0 . 1 . . . . . 124 LYS HB3 . 53814 1 401 . 1 . 1 56 56 LYS HG2 H 1 1.401 0 . 1 . . . . . 124 LYS HG2 . 53814 1 402 . 1 . 1 56 56 LYS HE2 H 1 3.126 0 . 1 . . . . . 124 LYS HE2 . 53814 1 403 . 1 . 1 56 56 LYS C C 13 171.231 0 . 1 . . . . . 124 LYS C . 53814 1 404 . 1 . 1 56 56 LYS CA C 13 53.702 0.05 . 1 . . . . . 124 LYS CA . 53814 1 405 . 1 . 1 56 56 LYS CB C 13 30.666 0.051 . 1 . . . . . 124 LYS CB . 53814 1 406 . 1 . 1 56 56 LYS N N 15 120.935 0.031 . 1 . . . . . 124 LYS N . 53814 1 407 . 1 . 1 57 57 HIS H H 1 8.671 0.018 . 1 . . . . . 125 HIS H . 53814 1 408 . 1 . 1 57 57 HIS HA H 1 4.698 0 . 1 . . . . . 125 HIS HA . 53814 1 409 . 1 . 1 57 57 HIS HB2 H 1 3.196 0 . 1 . . . . . 125 HIS HB2 . 53814 1 410 . 1 . 1 57 57 HIS CA C 13 53.097 0 . 1 . . . . . 125 HIS CA . 53814 1 411 . 1 . 1 57 57 HIS CB C 13 27.399 0 . 1 . . . . . 125 HIS CB . 53814 1 412 . 1 . 1 57 57 HIS N N 15 120.997 0 . 1 . . . . . 125 HIS N . 53814 1 413 . 1 . 1 58 58 GLU C C 13 173.317 0 . 1 . . . . . 126 GLU C . 53814 1 414 . 1 . 1 58 58 GLU CA C 13 53.416 0.046 . 1 . . . . . 126 GLU CA . 53814 1 415 . 1 . 1 58 58 GLU CB C 13 27.178 0.034 . 1 . . . . . 126 GLU CB . 53814 1 416 . 1 . 1 59 59 GLU H H 1 8.633 0.01 . 1 . . . . . 127 GLU H . 53814 1 417 . 1 . 1 59 59 GLU HA H 1 4.333 0 . 1 . . . . . 127 GLU HA . 53814 1 418 . 1 . 1 59 59 GLU HB2 H 1 2.077 0 . 1 . . . . . 127 GLU HB2 . 53814 1 419 . 1 . 1 59 59 GLU HB3 H 1 1.972 0 . 1 . . . . . 127 GLU HB3 . 53814 1 420 . 1 . 1 59 59 GLU HG2 H 1 2.337 0 . 1 . . . . . 127 GLU HG2 . 53814 1 421 . 1 . 1 59 59 GLU C C 13 173.728 0 . 1 . . . . . 127 GLU C . 53814 1 422 . 1 . 1 59 59 GLU CA C 13 53.794 0.177 . 1 . . . . . 127 GLU CA . 53814 1 423 . 1 . 1 59 59 GLU CB C 13 27.769 0.064 . 1 . . . . . 127 GLU CB . 53814 1 424 . 1 . 1 59 59 GLU N N 15 123.151 0 . 1 . . . . . 127 GLU N . 53814 1 425 . 1 . 1 60 60 LYS H H 1 8.502 0.005 . 1 . . . . . 128 LYS H . 53814 1 426 . 1 . 1 60 60 LYS HA H 1 4.365 0 . 1 . . . . . 128 LYS HA . 53814 1 427 . 1 . 1 60 60 LYS HB2 H 1 1.823 0 . 1 . . . . . 128 LYS HB2 . 53814 1 428 . 1 . 1 60 60 LYS HB3 H 1 1.816 0 . 1 . . . . . 128 LYS HB3 . 53814 1 429 . 1 . 1 60 60 LYS HG2 H 1 1.489 0 . 1 . . . . . 128 LYS HG2 . 53814 1 430 . 1 . 1 60 60 LYS HE2 H 1 3.009 0 . 1 . . . . . 128 LYS HE2 . 53814 1 431 . 1 . 1 60 60 LYS C C 13 173.911 0 . 1 . . . . . 128 LYS C . 53814 1 432 . 1 . 1 60 60 LYS CA C 13 53.476 0.095 . 1 . . . . . 128 LYS CA . 53814 1 433 . 1 . 1 60 60 LYS CB C 13 30.578 0.018 . 1 . . . . . 128 LYS CB . 53814 1 434 . 1 . 1 60 60 LYS N N 15 123.138 0.002 . 1 . . . . . 128 LYS N . 53814 1 435 . 1 . 1 61 61 GLN H H 1 8.611 0.007 . 1 . . . . . 129 GLN H . 53814 1 436 . 1 . 1 61 61 GLN HA H 1 4.387 0 . 1 . . . . . 129 GLN HA . 53814 1 437 . 1 . 1 61 61 GLN HB2 H 1 2.02 0 . 1 . . . . . 129 GLN HB2 . 53814 1 438 . 1 . 1 61 61 GLN HG3 H 1 2.413 0 . 1 . . . . . 129 GLN HG3 . 53814 1 439 . 1 . 1 61 61 GLN C C 13 173.416 0 . 1 . . . . . 129 GLN C . 53814 1 440 . 1 . 1 61 61 GLN CA C 13 53.527 0.004 . 1 . . . . . 129 GLN CA . 53814 1 441 . 1 . 1 61 61 GLN CB C 13 26.823 0.019 . 1 . . . . . 129 GLN CB . 53814 1 442 . 1 . 1 61 61 GLN N N 15 122.461 0.01 . 1 . . . . . 129 GLN N . 53814 1 443 . 1 . 1 62 62 GLN H H 1 8.609 0.005 . 1 . . . . . 130 GLN H . 53814 1 444 . 1 . 1 62 62 GLN HA H 1 4.363 0 . 1 . . . . . 130 GLN HA . 53814 1 445 . 1 . 1 62 62 GLN HB2 H 1 2.025 0 . 1 . . . . . 130 GLN HB2 . 53814 1 446 . 1 . 1 62 62 GLN HG2 H 1 2.037 0 . 1 . . . . . 130 GLN HG2 . 53814 1 447 . 1 . 1 62 62 GLN HG3 H 1 2.306 0.125 . 1 . . . . . 130 GLN HG3 . 53814 1 448 . 1 . 1 62 62 GLN C C 13 173.316 0 . 1 . . . . . 130 GLN C . 53814 1 449 . 1 . 1 62 62 GLN CA C 13 53.396 0.019 . 1 . . . . . 130 GLN CA . 53814 1 450 . 1 . 1 62 62 GLN CB C 13 27.003 0.009 . 1 . . . . . 130 GLN CB . 53814 1 451 . 1 . 1 62 62 GLN N N 15 122.383 0.031 . 1 . . . . . 130 GLN N . 53814 1 452 . 1 . 1 63 63 GLU H H 1 8.635 0.005 . 1 . . . . . 131 GLU H . 53814 1 453 . 1 . 1 63 63 GLU HA H 1 4.354 0 . 1 . . . . . 131 GLU HA . 53814 1 454 . 1 . 1 63 63 GLU HB2 H 1 2.109 0 . 1 . . . . . 131 GLU HB2 . 53814 1 455 . 1 . 1 63 63 GLU HB3 H 1 2.162 0.173 . 1 . . . . . 131 GLU HB3 . 53814 1 456 . 1 . 1 63 63 GLU C C 13 174.231 0 . 1 . . . . . 131 GLU C . 53814 1 457 . 1 . 1 63 63 GLU CA C 13 54.001 0.004 . 1 . . . . . 131 GLU CA . 53814 1 458 . 1 . 1 63 63 GLU CB C 13 27.933 0.112 . 1 . . . . . 131 GLU CB . 53814 1 459 . 1 . 1 63 63 GLU N N 15 123.026 0 . 1 . . . . . 131 GLU N . 53814 1 460 . 1 . 1 64 64 GLY H H 1 8.523 0.003 . 1 . . . . . 132 GLY H . 53814 1 461 . 1 . 1 64 64 GLY HA2 H 1 4.021 0 . 1 . . . . . 132 GLY HA2 . 53814 1 462 . 1 . 1 64 64 GLY HA3 H 1 4.019 0 . 1 . . . . . 132 GLY HA3 . 53814 1 463 . 1 . 1 64 64 GLY C C 13 171.856 0 . 1 . . . . . 132 GLY C . 53814 1 464 . 1 . 1 64 64 GLY CA C 13 42.739 0.021 . 1 . . . . . 132 GLY CA . 53814 1 465 . 1 . 1 64 64 GLY N N 15 110.225 0 . 1 . . . . . 132 GLY N . 53814 1 466 . 1 . 1 65 65 GLY H H 1 7.776 1.425 . 1 . . . . . 133 GLY H . 53814 1 467 . 1 . 1 65 65 GLY HA2 H 1 4.003 0 . 1 . . . . . 133 GLY HA . 53814 1 468 . 1 . 1 65 65 GLY HA3 H 1 4.003 0 . 1 . . . . . 133 GLY HA . 53814 1 469 . 1 . 1 65 65 GLY C C 13 171.253 0 . 1 . . . . . 133 GLY C . 53814 1 470 . 1 . 1 65 65 GLY CA C 13 42.507 0.052 . 1 . . . . . 133 GLY CA . 53814 1 471 . 1 . 1 65 65 GLY N N 15 108.735 0 . 1 . . . . . 133 GLY N . 53814 1 472 . 1 . 1 66 66 ILE H H 1 8.135 0.004 . 1 . . . . . 134 ILE H . 53814 1 473 . 1 . 1 66 66 ILE HA H 1 4.232 0 . 1 . . . . . 134 ILE HA . 53814 1 474 . 1 . 1 66 66 ILE HB H 1 1.876 0 . 1 . . . . . 134 ILE HB . 53814 1 475 . 1 . 1 66 66 ILE HG13 H 1 1.192 0 . 1 . . . . . 134 ILE HG13 . 53814 1 476 . 1 . 1 66 66 ILE HG21 H 1 0.902 0 . 1 . . . . . 134 ILE HG2 . 53814 1 477 . 1 . 1 66 66 ILE HG22 H 1 0.902 0 . 1 . . . . . 134 ILE HG2 . 53814 1 478 . 1 . 1 66 66 ILE HG23 H 1 0.902 0 . 1 . . . . . 134 ILE HG2 . 53814 1 479 . 1 . 1 66 66 ILE C C 13 171.471 0 . 1 . . . . . 134 ILE C . 53814 1 480 . 1 . 1 66 66 ILE CA C 13 58.638 0.012 . 1 . . . . . 134 ILE CA . 53814 1 481 . 1 . 1 66 66 ILE CB C 13 36.316 0.029 . 1 . . . . . 134 ILE CB . 53814 1 482 . 1 . 1 66 66 ILE N N 15 120.452 0.015 . 1 . . . . . 134 ILE N . 53814 1 483 . 1 . 1 67 67 VAL H H 1 8.334 0.009 . 1 . . . . . 135 VAL H . 53814 1 484 . 1 . 1 67 67 VAL HA H 1 4.189 0 . 1 . . . . . 135 VAL HA . 53814 1 485 . 1 . 1 67 67 VAL HB H 1 2.072 0 . 1 . . . . . 135 VAL HB . 53814 1 486 . 1 . 1 67 67 VAL HG11 H 1 0.978 0 . 1 . . . . . 135 VAL HG1 . 53814 1 487 . 1 . 1 67 67 VAL HG12 H 1 0.978 0 . 1 . . . . . 135 VAL HG1 . 53814 1 488 . 1 . 1 67 67 VAL HG13 H 1 0.978 0 . 1 . . . . . 135 VAL HG1 . 53814 1 489 . 1 . 1 67 67 VAL C C 13 173.467 0 . 1 . . . . . 135 VAL C . 53814 1 490 . 1 . 1 67 67 VAL CA C 13 59.526 0.007 . 1 . . . . . 135 VAL CA . 53814 1 491 . 1 . 1 67 67 VAL CB C 13 30.208 0.003 . 1 . . . . . 135 VAL CB . 53814 1 492 . 1 . 1 67 67 VAL N N 15 124.871 0 . 1 . . . . . 135 VAL N . 53814 1 493 . 1 . 1 68 68 SER H H 1 8.438 0.042 . 1 . . . . . 136 SER H . 53814 1 494 . 1 . 1 68 68 SER HA H 1 4.492 0 . 1 . . . . . 136 SER HA . 53814 1 495 . 1 . 1 68 68 SER HB2 H 1 3.873 0 . 1 . . . . . 136 SER HB2 . 53814 1 496 . 1 . 1 68 68 SER C C 13 171.972 0 . 1 . . . . . 136 SER C . 53814 1 497 . 1 . 1 68 68 SER CA C 13 55.605 0.022 . 1 . . . . . 136 SER CA . 53814 1 498 . 1 . 1 68 68 SER CB C 13 61.34 0.068 . 1 . . . . . 136 SER CB . 53814 1 499 . 1 . 1 68 68 SER N N 15 119.933 1.191 . 1 . . . . . 136 SER N . 53814 1 500 . 1 . 1 69 69 LYS H H 1 8.461 0.003 . 1 . . . . . 137 LYS H . 53814 1 501 . 1 . 1 69 69 LYS HA H 1 4.315 0 . 1 . . . . . 137 LYS HA . 53814 1 502 . 1 . 1 69 69 LYS HB3 H 1 1.732 0.001 . 1 . . . . . 137 LYS HB3 . 53814 1 503 . 1 . 1 69 69 LYS HG2 H 1 1.408 0 . 1 . . . . . 137 LYS HG2 . 53814 1 504 . 1 . 1 69 69 LYS C C 13 173.376 0 . 1 . . . . . 137 LYS C . 53814 1 505 . 1 . 1 69 69 LYS CA C 13 53.834 0.039 . 1 . . . . . 137 LYS CA . 53814 1 506 . 1 . 1 69 69 LYS CB C 13 30.527 0.038 . 1 . . . . . 137 LYS CB . 53814 1 507 . 1 . 1 69 69 LYS N N 15 123.762 0 . 1 . . . . . 137 LYS N . 53814 1 508 . 1 . 1 70 70 ASN H H 1 8.426 0.007 . 1 . . . . . 138 ASN H . 53814 1 509 . 1 . 1 70 70 ASN HA H 1 4.687 0 . 1 . . . . . 138 ASN HA . 53814 1 510 . 1 . 1 70 70 ASN HB2 H 1 2.809 0 . 1 . . . . . 138 ASN HB2 . 53814 1 511 . 1 . 1 70 70 ASN HB3 H 1 2.706 0 . 1 . . . . . 138 ASN HB3 . 53814 1 512 . 1 . 1 70 70 ASN C C 13 172.227 0 . 1 . . . . . 138 ASN C . 53814 1 513 . 1 . 1 70 70 ASN CA C 13 50.322 0.037 . 1 . . . . . 138 ASN CA . 53814 1 514 . 1 . 1 70 70 ASN CB C 13 36.504 0.04 . 1 . . . . . 138 ASN CB . 53814 1 515 . 1 . 1 70 70 ASN N N 15 119.421 0 . 1 . . . . . 138 ASN N . 53814 1 516 . 1 . 1 71 71 PHE H H 1 8.287 0.005 . 1 . . . . . 139 PHE H . 53814 1 517 . 1 . 1 71 71 PHE HA H 1 4.699 0 . 1 . . . . . 139 PHE HA . 53814 1 518 . 1 . 1 71 71 PHE HB2 H 1 3.203 0 . 1 . . . . . 139 PHE HB2 . 53814 1 519 . 1 . 1 71 71 PHE HB3 H 1 3.067 0 . 1 . . . . . 139 PHE HB3 . 53814 1 520 . 1 . 1 71 71 PHE C C 13 173.117 0 . 1 . . . . . 139 PHE C . 53814 1 521 . 1 . 1 71 71 PHE CA C 13 55.307 0.072 . 1 . . . . . 139 PHE CA . 53814 1 522 . 1 . 1 71 71 PHE CB C 13 37.041 0.022 . 1 . . . . . 139 PHE CB . 53814 1 523 . 1 . 1 71 71 PHE N N 15 121.21 0.025 . 1 . . . . . 139 PHE N . 53814 1 524 . 1 . 1 72 72 THR H H 1 8.213 0.004 . 1 . . . . . 140 THR H . 53814 1 525 . 1 . 1 72 72 THR HA H 1 4.381 0 . 1 . . . . . 140 THR HA . 53814 1 526 . 1 . 1 72 72 THR HB H 1 4.165 0 . 1 . . . . . 140 THR HB . 53814 1 527 . 1 . 1 72 72 THR HG21 H 1 1.237 0 . 1 . . . . . 140 THR HG2 . 53814 1 528 . 1 . 1 72 72 THR HG22 H 1 1.237 0 . 1 . . . . . 140 THR HG2 . 53814 1 529 . 1 . 1 72 72 THR HG23 H 1 1.237 0 . 1 . . . . . 140 THR HG2 . 53814 1 530 . 1 . 1 72 72 THR C C 13 171.481 0 . 1 . . . . . 140 THR C . 53814 1 531 . 1 . 1 72 72 THR CA C 13 59.214 0.037 . 1 . . . . . 140 THR CA . 53814 1 532 . 1 . 1 72 72 THR CB C 13 67.501 0.038 . 1 . . . . . 140 THR CB . 53814 1 533 . 1 . 1 72 72 THR N N 15 116.434 0.003 . 1 . . . . . 140 THR N . 53814 1 534 . 1 . 1 73 73 LYS H H 1 8.357 0.005 . 1 . . . . . 141 LYS H . 53814 1 535 . 1 . 1 73 73 LYS HA H 1 4.314 0 . 1 . . . . . 141 LYS HA . 53814 1 536 . 1 . 1 73 73 LYS HB2 H 1 1.838 0 . 1 . . . . . 141 LYS HB2 . 53814 1 537 . 1 . 1 73 73 LYS HB3 H 1 1.742 0 . 1 . . . . . 141 LYS HB3 . 53814 1 538 . 1 . 1 73 73 LYS HG2 H 1 1.477 0 . 1 . . . . . 141 LYS HG2 . 53814 1 539 . 1 . 1 73 73 LYS C C 13 173.553 0 . 1 . . . . . 141 LYS C . 53814 1 540 . 1 . 1 73 73 LYS CA C 13 53.776 0.093 . 1 . . . . . 141 LYS CA . 53814 1 541 . 1 . 1 73 73 LYS CB C 13 30.85 0.036 . 1 . . . . . 141 LYS CB . 53814 1 542 . 1 . 1 73 73 LYS N N 15 124.575 0.009 . 1 . . . . . 141 LYS N . 53814 1 543 . 1 . 1 74 74 LYS H H 1 8.515 0.005 . 1 . . . . . 142 LYS H . 53814 1 544 . 1 . 1 74 74 LYS HA H 1 4.355 0 . 1 . . . . . 142 LYS HA . 53814 1 545 . 1 . 1 74 74 LYS HB2 H 1 1.771 0 . 1 . . . . . 142 LYS HB2 . 53814 1 546 . 1 . 1 74 74 LYS HB3 H 1 1.763 0 . 1 . . . . . 142 LYS HB3 . 53814 1 547 . 1 . 1 74 74 LYS HG2 H 1 1.427 0 . 1 . . . . . 142 LYS HG2 . 53814 1 548 . 1 . 1 74 74 LYS C C 13 173.772 0 . 1 . . . . . 142 LYS C . 53814 1 549 . 1 . 1 74 74 LYS CA C 13 53.752 0.033 . 1 . . . . . 142 LYS CA . 53814 1 550 . 1 . 1 74 74 LYS CB C 13 30.752 0.04 . 1 . . . . . 142 LYS CB . 53814 1 551 . 1 . 1 74 74 LYS N N 15 124.075 0 . 1 . . . . . 142 LYS N . 53814 1 552 . 1 . 1 75 75 ILE H H 1 8.375 0.006 . 1 . . . . . 143 ILE H . 53814 1 553 . 1 . 1 75 75 ILE HA H 1 4.189 0 . 1 . . . . . 143 ILE HA . 53814 1 554 . 1 . 1 75 75 ILE HB H 1 1.852 0 . 1 . . . . . 143 ILE HB . 53814 1 555 . 1 . 1 75 75 ILE HG13 H 1 1.217 0 . 1 . . . . . 143 ILE HG13 . 53814 1 556 . 1 . 1 75 75 ILE HG21 H 1 0.932 0 . 1 . . . . . 143 ILE HG2 . 53814 1 557 . 1 . 1 75 75 ILE HG22 H 1 0.932 0 . 1 . . . . . 143 ILE HG2 . 53814 1 558 . 1 . 1 75 75 ILE HG23 H 1 0.932 0 . 1 . . . . . 143 ILE HG2 . 53814 1 559 . 1 . 1 75 75 ILE C C 13 173.212 0 . 1 . . . . . 143 ILE C . 53814 1 560 . 1 . 1 75 75 ILE CA C 13 58.346 0.049 . 1 . . . . . 143 ILE CA . 53814 1 561 . 1 . 1 75 75 ILE CB C 13 36.413 0.046 . 1 . . . . . 143 ILE CB . 53814 1 562 . 1 . 1 75 75 ILE N N 15 123.377 0 . 1 . . . . . 143 ILE N . 53814 1 563 . 1 . 1 76 76 GLN H H 1 8.562 0.005 . 1 . . . . . 144 GLN H . 53814 1 564 . 1 . 1 76 76 GLN HA H 1 4.405 0 . 1 . . . . . 144 GLN HA . 53814 1 565 . 1 . 1 76 76 GLN HB2 H 1 1.972 0 . 1 . . . . . 144 GLN HB2 . 53814 1 566 . 1 . 1 76 76 GLN HB3 H 1 2.05 0 . 1 . . . . . 144 GLN HB3 . 53814 1 567 . 1 . 1 76 76 GLN HG2 H 1 2.381 0 . 1 . . . . . 144 GLN HG2 . 53814 1 568 . 1 . 1 76 76 GLN C C 13 172.788 0 . 1 . . . . . 144 GLN C . 53814 1 569 . 1 . 1 76 76 GLN CA C 13 52.727 0.035 . 1 . . . . . 144 GLN CA . 53814 1 570 . 1 . 1 76 76 GLN CB C 13 27.221 0.043 . 1 . . . . . 144 GLN CB . 53814 1 571 . 1 . 1 76 76 GLN N N 15 125.496 0 . 1 . . . . . 144 GLN N . 53814 1 572 . 1 . 1 77 77 LEU H H 1 8.52 0.006 . 1 . . . . . 145 LEU H . 53814 1 573 . 1 . 1 77 77 LEU HA H 1 4.338 0 . 1 . . . . . 145 LEU HA . 53814 1 574 . 1 . 1 77 77 LEU HB3 H 1 1.631 0 . 1 . . . . . 145 LEU HB3 . 53814 1 575 . 1 . 1 77 77 LEU CA C 13 50.348 0 . 1 . . . . . 145 LEU CA . 53814 1 576 . 1 . 1 77 77 LEU CB C 13 39.029 0 . 1 . . . . . 145 LEU CB . 53814 1 577 . 1 . 1 77 77 LEU N N 15 126.189 0 . 1 . . . . . 145 LEU N . 53814 1 578 . 1 . 1 78 78 PRO C C 13 172.827 0 . 1 . . . . . 146 PRO C . 53814 1 579 . 1 . 1 78 78 PRO CA C 13 60.565 0.065 . 1 . . . . . 146 PRO CA . 53814 1 580 . 1 . 1 78 78 PRO CB C 13 29.567 0.066 . 1 . . . . . 146 PRO CB . 53814 1 581 . 1 . 1 79 79 ALA H H 1 8.43 0.003 . 1 . . . . . 147 ALA H . 53814 1 582 . 1 . 1 79 79 ALA HA H 1 4.43 0 . 1 . . . . . 147 ALA HA . 53814 1 583 . 1 . 1 79 79 ALA HB1 H 1 1.587 0 . 1 . . . . . 147 ALA HB . 53814 1 584 . 1 . 1 79 79 ALA HB2 H 1 1.587 0 . 1 . . . . . 147 ALA HB . 53814 1 585 . 1 . 1 79 79 ALA HB3 H 1 1.587 0 . 1 . . . . . 147 ALA HB . 53814 1 586 . 1 . 1 79 79 ALA C C 13 175.174 0 . 1 . . . . . 147 ALA C . 53814 1 587 . 1 . 1 79 79 ALA CA C 13 49.961 0.046 . 1 . . . . . 147 ALA CA . 53814 1 588 . 1 . 1 79 79 ALA CB C 13 16.622 0.08 . 1 . . . . . 147 ALA CB . 53814 1 589 . 1 . 1 79 79 ALA N N 15 124.199 0 . 1 . . . . . 147 ALA N . 53814 1 590 . 1 . 1 80 80 GLU H H 1 8.478 0.011 . 1 . . . . . 148 GLU H . 53814 1 591 . 1 . 1 80 80 GLU HA H 1 4.312 0.016 . 1 . . . . . 148 GLU HA . 53814 1 592 . 1 . 1 80 80 GLU HB2 H 1 2.013 0 . 1 . . . . . 148 GLU HB2 . 53814 1 593 . 1 . 1 80 80 GLU HB3 H 1 2.021 0 . 1 . . . . . 148 GLU HB3 . 53814 1 594 . 1 . 1 80 80 GLU HG2 H 1 2.325 0.001 . 1 . . . . . 148 GLU HG2 . 53814 1 595 . 1 . 1 80 80 GLU HG3 H 1 2.296 0 . 1 . . . . . 148 GLU HG3 . 53814 1 596 . 1 . 1 80 80 GLU C C 13 173.61 0 . 1 . . . . . 148 GLU C . 53814 1 597 . 1 . 1 80 80 GLU CA C 13 53.869 0.057 . 1 . . . . . 148 GLU CA . 53814 1 598 . 1 . 1 80 80 GLU CB C 13 27.694 0.028 . 1 . . . . . 148 GLU CB . 53814 1 599 . 1 . 1 80 80 GLU N N 15 119.777 0.178 . 1 . . . . . 148 GLU N . 53814 1 600 . 1 . 1 81 81 VAL H H 1 8.08 0.002 . 1 . . . . . 149 VAL H . 53814 1 601 . 1 . 1 81 81 VAL HA H 1 4.159 0 . 1 . . . . . 149 VAL HA . 53814 1 602 . 1 . 1 81 81 VAL HB H 1 2.09 0 . 1 . . . . . 149 VAL HB . 53814 1 603 . 1 . 1 81 81 VAL HG11 H 1 0.957 0 . 1 . . . . . 149 VAL HG1 . 53814 1 604 . 1 . 1 81 81 VAL HG12 H 1 0.957 0 . 1 . . . . . 149 VAL HG1 . 53814 1 605 . 1 . 1 81 81 VAL HG13 H 1 0.957 0 . 1 . . . . . 149 VAL HG1 . 53814 1 606 . 1 . 1 81 81 VAL C C 13 172.81 0 . 1 . . . . . 149 VAL C . 53814 1 607 . 1 . 1 81 81 VAL CA C 13 59.176 0.042 . 1 . . . . . 149 VAL CA . 53814 1 608 . 1 . 1 81 81 VAL CB C 13 30.545 0.03 . 1 . . . . . 149 VAL CB . 53814 1 609 . 1 . 1 81 81 VAL N N 15 120.186 0 . 1 . . . . . 149 VAL N . 53814 1 610 . 1 . 1 82 82 ASP H H 1 8.462 0.004 . 1 . . . . . 150 ASP H . 53814 1 611 . 1 . 1 82 82 ASP HA H 1 4.914 0 . 1 . . . . . 150 ASP HA . 53814 1 612 . 1 . 1 82 82 ASP HB2 H 1 2.793 0 . 1 . . . . . 150 ASP HB2 . 53814 1 613 . 1 . 1 82 82 ASP HB3 H 1 2.584 0 . 1 . . . . . 150 ASP HB3 . 53814 1 614 . 1 . 1 82 82 ASP CA C 13 49.868 0 . 1 . . . . . 150 ASP CA . 53814 1 615 . 1 . 1 82 82 ASP CB C 13 38.48 0 . 1 . . . . . 150 ASP CB . 53814 1 616 . 1 . 1 82 82 ASP N N 15 125.284 0 . 1 . . . . . 150 ASP N . 53814 1 617 . 1 . 1 83 83 PRO C C 13 174.311 0 . 1 . . . . . 151 PRO C . 53814 1 618 . 1 . 1 83 83 PRO CA C 13 60.779 0.047 . 1 . . . . . 151 PRO CA . 53814 1 619 . 1 . 1 83 83 PRO CB C 13 29.761 0.03 . 1 . . . . . 151 PRO CB . 53814 1 620 . 1 . 1 84 84 VAL H H 1 8.287 0.004 . 1 . . . . . 152 VAL H . 53814 1 621 . 1 . 1 84 84 VAL HA H 1 4.103 0 . 1 . . . . . 152 VAL HA . 53814 1 622 . 1 . 1 84 84 VAL HB H 1 2.155 0 . 1 . . . . . 152 VAL HB . 53814 1 623 . 1 . 1 84 84 VAL HG11 H 1 0.975 0 . 1 . . . . . 152 VAL HG1 . 53814 1 624 . 1 . 1 84 84 VAL HG12 H 1 0.975 0 . 1 . . . . . 152 VAL HG1 . 53814 1 625 . 1 . 1 84 84 VAL HG13 H 1 0.975 0 . 1 . . . . . 152 VAL HG1 . 53814 1 626 . 1 . 1 84 84 VAL C C 13 173.894 0 . 1 . . . . . 152 VAL C . 53814 1 627 . 1 . 1 84 84 VAL CA C 13 60.276 0.018 . 1 . . . . . 152 VAL CA . 53814 1 628 . 1 . 1 84 84 VAL CB C 13 29.918 0.008 . 1 . . . . . 152 VAL CB . 53814 1 629 . 1 . 1 84 84 VAL N N 15 119.833 0 . 1 . . . . . 152 VAL N . 53814 1 630 . 1 . 1 85 85 THR H H 1 8.189 0.003 . 1 . . . . . 153 THR H . 53814 1 631 . 1 . 1 85 85 THR HA H 1 4.133 0 . 1 . . . . . 153 THR HA . 53814 1 632 . 1 . 1 85 85 THR HG21 H 1 1.113 0 . 1 . . . . . 153 THR HG2 . 53814 1 633 . 1 . 1 85 85 THR HG22 H 1 1.113 0 . 1 . . . . . 153 THR HG2 . 53814 1 634 . 1 . 1 85 85 THR HG23 H 1 1.113 0 . 1 . . . . . 153 THR HG2 . 53814 1 635 . 1 . 1 85 85 THR C C 13 171.581 0 . 1 . . . . . 153 THR C . 53814 1 636 . 1 . 1 85 85 THR CA C 13 59.415 0.007 . 1 . . . . . 153 THR CA . 53814 1 637 . 1 . 1 85 85 THR CB C 13 67.279 0.038 . 1 . . . . . 153 THR CB . 53814 1 638 . 1 . 1 85 85 THR N N 15 117.897 0.001 . 1 . . . . . 153 THR N . 53814 1 639 . 1 . 1 86 86 VAL H H 1 8.064 0.003 . 1 . . . . . 154 VAL H . 53814 1 640 . 1 . 1 86 86 VAL HA H 1 4.118 0 . 1 . . . . . 154 VAL HA . 53814 1 641 . 1 . 1 86 86 VAL HB H 1 1.969 0 . 1 . . . . . 154 VAL HB . 53814 1 642 . 1 . 1 86 86 VAL HG11 H 1 0.86 0 . 1 . . . . . 154 VAL HG1 . 53814 1 643 . 1 . 1 86 86 VAL HG12 H 1 0.86 0 . 1 . . . . . 154 VAL HG1 . 53814 1 644 . 1 . 1 86 86 VAL HG13 H 1 0.86 0 . 1 . . . . . 154 VAL HG1 . 53814 1 645 . 1 . 1 86 86 VAL C C 13 172.999 0 . 1 . . . . . 154 VAL C . 53814 1 646 . 1 . 1 86 86 VAL CA C 13 59.555 0.012 . 1 . . . . . 154 VAL CA . 53814 1 647 . 1 . 1 86 86 VAL CB C 13 30.364 0.029 . 1 . . . . . 154 VAL CB . 53814 1 648 . 1 . 1 86 86 VAL N N 15 122.823 0 . 1 . . . . . 154 VAL N . 53814 1 649 . 1 . 1 87 87 PHE H H 1 8.376 0.003 . 1 . . . . . 155 PHE H . 53814 1 650 . 1 . 1 87 87 PHE HA H 1 4.664 0 . 1 . . . . . 155 PHE HA . 53814 1 651 . 1 . 1 87 87 PHE HB2 H 1 3.17 0 . 1 . . . . . 155 PHE HB2 . 53814 1 652 . 1 . 1 87 87 PHE HB3 H 1 3.001 0 . 1 . . . . . 155 PHE HB3 . 53814 1 653 . 1 . 1 87 87 PHE CA C 13 55.006 0.021 . 1 . . . . . 155 PHE CA . 53814 1 654 . 1 . 1 87 87 PHE CB C 13 37.055 0.023 . 1 . . . . . 155 PHE CB . 53814 1 655 . 1 . 1 87 87 PHE N N 15 124.12 0 . 1 . . . . . 155 PHE N . 53814 1 656 . 1 . 1 88 88 ALA H H 1 8.352 0.02 . 1 . . . . . 156 ALA H . 53814 1 657 . 1 . 1 88 88 ALA HA H 1 4.412 0.009 . 1 . . . . . 156 ALA HA . 53814 1 658 . 1 . 1 88 88 ALA HB1 H 1 1.413 0.003 . 1 . . . . . 156 ALA HB . 53814 1 659 . 1 . 1 88 88 ALA HB2 H 1 1.413 0.003 . 1 . . . . . 156 ALA HB . 53814 1 660 . 1 . 1 88 88 ALA HB3 H 1 1.413 0.003 . 1 . . . . . 156 ALA HB . 53814 1 661 . 1 . 1 88 88 ALA C C 13 174.57 0 . 1 . . . . . 156 ALA C . 53814 1 662 . 1 . 1 88 88 ALA CA C 13 49.714 0.02 . 1 . . . . . 156 ALA CA . 53814 1 663 . 1 . 1 88 88 ALA CB C 13 17.042 0.022 . 1 . . . . . 156 ALA CB . 53814 1 664 . 1 . 1 88 88 ALA N N 15 125.707 0.074 . 1 . . . . . 156 ALA N . 53814 1 665 . 1 . 1 89 89 SER H H 1 8.329 0.004 . 1 . . . . . 157 SER H . 53814 1 666 . 1 . 1 89 89 SER HA H 1 4.489 0 . 1 . . . . . 157 SER HA . 53814 1 667 . 1 . 1 89 89 SER HB2 H 1 3.91 0 . 1 . . . . . 157 SER HB2 . 53814 1 668 . 1 . 1 89 89 SER HB3 H 1 3.914 0 . 1 . . . . . 157 SER HB3 . 53814 1 669 . 1 . 1 89 89 SER C C 13 171.578 0 . 1 . . . . . 157 SER C . 53814 1 670 . 1 . 1 89 89 SER CA C 13 55.561 0.018 . 1 . . . . . 157 SER CA . 53814 1 671 . 1 . 1 89 89 SER CB C 13 61.4 0.021 . 1 . . . . . 157 SER CB . 53814 1 672 . 1 . 1 89 89 SER N N 15 115.316 0 . 1 . . . . . 157 SER N . 53814 1 673 . 1 . 1 90 90 LEU H H 1 8.335 0.003 . 1 . . . . . 158 LEU H . 53814 1 674 . 1 . 1 90 90 LEU HA H 1 4.54 0 . 1 . . . . . 158 LEU HA . 53814 1 675 . 1 . 1 90 90 LEU HB2 H 1 1.695 0 . 1 . . . . . 158 LEU HB2 . 53814 1 676 . 1 . 1 90 90 LEU HB3 H 1 1.643 0 . 1 . . . . . 158 LEU HB3 . 53814 1 677 . 1 . 1 90 90 LEU HD11 H 1 0.898 0 . 1 . . . . . 158 LEU HD1 . 53814 1 678 . 1 . 1 90 90 LEU HD12 H 1 0.898 0 . 1 . . . . . 158 LEU HD1 . 53814 1 679 . 1 . 1 90 90 LEU HD13 H 1 0.898 0 . 1 . . . . . 158 LEU HD1 . 53814 1 680 . 1 . 1 90 90 LEU C C 13 174.58 0 . 1 . . . . . 158 LEU C . 53814 1 681 . 1 . 1 90 90 LEU CA C 13 52.029 0.024 . 1 . . . . . 158 LEU CA . 53814 1 682 . 1 . 1 90 90 LEU CB C 13 40.353 0.017 . 1 . . . . . 158 LEU CB . 53814 1 683 . 1 . 1 90 90 LEU N N 15 123.961 0 . 1 . . . . . 158 LEU N . 53814 1 684 . 1 . 1 91 91 SER H H 1 8.629 0.004 . 1 . . . . . 159 SER H . 53814 1 685 . 1 . 1 91 91 SER HA H 1 4.822 0 . 1 . . . . . 159 SER HA . 53814 1 686 . 1 . 1 91 91 SER HB2 H 1 4.069 0 . 1 . . . . . 159 SER HB2 . 53814 1 687 . 1 . 1 91 91 SER HB3 H 1 3.925 0 . 1 . . . . . 159 SER HB3 . 53814 1 688 . 1 . 1 91 91 SER CA C 13 53.883 0 . 1 . . . . . 159 SER CA . 53814 1 689 . 1 . 1 91 91 SER CB C 13 60.851 0 . 1 . . . . . 159 SER CB . 53814 1 690 . 1 . 1 91 91 SER N N 15 118.618 0 . 1 . . . . . 159 SER N . 53814 1 691 . 1 . 1 92 92 PRO C C 13 174.418 0 . 1 . . . . . 160 PRO C . 53814 1 692 . 1 . 1 92 92 PRO CA C 13 61.351 0.027 . 1 . . . . . 160 PRO CA . 53814 1 693 . 1 . 1 92 92 PRO CB C 13 28.415 0.989 . 1 . . . . . 160 PRO CB . 53814 1 694 . 1 . 1 93 93 GLU H H 1 8.411 0.004 . 1 . . . . . 161 GLU H . 53814 1 695 . 1 . 1 93 93 GLU HA H 1 4.309 0 . 1 . . . . . 161 GLU HA . 53814 1 696 . 1 . 1 93 93 GLU HB2 H 1 2.115 0 . 1 . . . . . 161 GLU HB2 . 53814 1 697 . 1 . 1 93 93 GLU HB3 H 1 1.937 0 . 1 . . . . . 161 GLU HB3 . 53814 1 698 . 1 . 1 93 93 GLU HG3 H 1 2.316 0 . 1 . . . . . 161 GLU HG3 . 53814 1 699 . 1 . 1 93 93 GLU C C 13 174.289 0 . 1 . . . . . 161 GLU C . 53814 1 700 . 1 . 1 93 93 GLU CA C 13 54.3 0.033 . 1 . . . . . 161 GLU CA . 53814 1 701 . 1 . 1 93 93 GLU CB C 13 28.046 0.903 . 1 . . . . . 161 GLU CB . 53814 1 702 . 1 . 1 93 93 GLU N N 15 119.019 0 . 1 . . . . . 161 GLU N . 53814 1 703 . 1 . 1 94 94 GLY H H 1 8.323 0.008 . 1 . . . . . 162 GLY H . 53814 1 704 . 1 . 1 94 94 GLY HA2 H 1 3.962 0 . 1 . . . . . 162 GLY HA2 . 53814 1 705 . 1 . 1 94 94 GLY HA3 H 1 3.958 0 . 1 . . . . . 162 GLY HA3 . 53814 1 706 . 1 . 1 94 94 GLY C C 13 171.092 0 . 1 . . . . . 162 GLY C . 53814 1 707 . 1 . 1 94 94 GLY CA C 13 42.689 0.025 . 1 . . . . . 162 GLY CA . 53814 1 708 . 1 . 1 94 94 GLY N N 15 109.259 0 . 1 . . . . . 162 GLY N . 53814 1 709 . 1 . 1 95 95 LEU H H 1 7.937 0.007 . 1 . . . . . 163 LEU H . 53814 1 710 . 1 . 1 95 95 LEU HA H 1 4.424 0 . 1 . . . . . 163 LEU HA . 53814 1 711 . 1 . 1 95 95 LEU HB2 H 1 1.604 0 . 1 . . . . . 163 LEU HB2 . 53814 1 712 . 1 . 1 95 95 LEU HB3 H 1 1.596 0 . 1 . . . . . 163 LEU HB3 . 53814 1 713 . 1 . 1 95 95 LEU HD11 H 1 0.931 0 . 1 . . . . . 163 LEU HD1 . 53814 1 714 . 1 . 1 95 95 LEU HD12 H 1 0.931 0 . 1 . . . . . 163 LEU HD1 . 53814 1 715 . 1 . 1 95 95 LEU HD13 H 1 0.931 0 . 1 . . . . . 163 LEU HD1 . 53814 1 716 . 1 . 1 95 95 LEU C C 13 172.994 0 . 1 . . . . . 163 LEU C . 53814 1 717 . 1 . 1 95 95 LEU CA C 13 52.219 0.013 . 1 . . . . . 163 LEU CA . 53814 1 718 . 1 . 1 95 95 LEU CB C 13 40.166 0.033 . 1 . . . . . 163 LEU CB . 53814 1 719 . 1 . 1 95 95 LEU N N 15 121.307 0 . 1 . . . . . 163 LEU N . 53814 1 720 . 1 . 1 96 96 LEU H H 1 8.42 0.013 . 1 . . . . . 164 LEU H . 53814 1 721 . 1 . 1 96 96 LEU HA H 1 4.462 0 . 1 . . . . . 164 LEU HA . 53814 1 722 . 1 . 1 96 96 LEU HB2 H 1 1.601 0 . 1 . . . . . 164 LEU HB2 . 53814 1 723 . 1 . 1 96 96 LEU HB3 H 1 1.408 0 . 1 . . . . . 164 LEU HB3 . 53814 1 724 . 1 . 1 96 96 LEU HG H 1 1.436 0 . 1 . . . . . 164 LEU HG . 53814 1 725 . 1 . 1 96 96 LEU C C 13 172.98 0 . 1 . . . . . 164 LEU C . 53814 1 726 . 1 . 1 96 96 LEU CA C 13 52.312 0.083 . 1 . . . . . 164 LEU CA . 53814 1 727 . 1 . 1 96 96 LEU CB C 13 40.079 0.14 . 1 . . . . . 164 LEU CB . 53814 1 728 . 1 . 1 96 96 LEU N N 15 124.466 0 . 1 . . . . . 164 LEU N . 53814 1 729 . 1 . 1 97 97 ILE H H 1 8.418 0.014 . 1 . . . . . 165 ILE H . 53814 1 730 . 1 . 1 97 97 ILE HA H 1 4.424 0 . 1 . . . . . 165 ILE HA . 53814 1 731 . 1 . 1 97 97 ILE HB H 1 1.596 0 . 1 . . . . . 165 ILE HB . 53814 1 732 . 1 . 1 97 97 ILE HG12 H 1 1.412 0 . 1 . . . . . 165 ILE HG1 . 53814 1 733 . 1 . 1 97 97 ILE HG13 H 1 1.412 0 . 1 . . . . . 165 ILE HG1 . 53814 1 734 . 1 . 1 97 97 ILE C C 13 172.904 0 . 1 . . . . . 165 ILE C . 53814 1 735 . 1 . 1 97 97 ILE CA C 13 57.986 0.002 . 1 . . . . . 165 ILE CA . 53814 1 736 . 1 . 1 97 97 ILE CB C 13 36.049 0.039 . 1 . . . . . 165 ILE CB . 53814 1 737 . 1 . 1 97 97 ILE N N 15 124.46 0 . 1 . . . . . 165 ILE N . 53814 1 738 . 1 . 1 98 98 ILE H H 1 8.385 0.009 . 1 . . . . . 166 ILE H . 53814 1 739 . 1 . 1 98 98 ILE HA H 1 4.237 0 . 1 . . . . . 166 ILE HA . 53814 1 740 . 1 . 1 98 98 ILE HB H 1 1.891 0 . 1 . . . . . 166 ILE HB . 53814 1 741 . 1 . 1 98 98 ILE HG13 H 1 1.194 0 . 1 . . . . . 166 ILE HG13 . 53814 1 742 . 1 . 1 98 98 ILE HG21 H 1 0.93 0 . 1 . . . . . 166 ILE HG2 . 53814 1 743 . 1 . 1 98 98 ILE HG22 H 1 0.93 0 . 1 . . . . . 166 ILE HG2 . 53814 1 744 . 1 . 1 98 98 ILE HG23 H 1 0.93 0 . 1 . . . . . 166 ILE HG2 . 53814 1 745 . 1 . 1 98 98 ILE C C 13 173.247 0 . 1 . . . . . 166 ILE C . 53814 1 746 . 1 . 1 98 98 ILE CA C 13 58.016 0.036 . 1 . . . . . 166 ILE CA . 53814 1 747 . 1 . 1 98 98 ILE CB C 13 36.07 0.054 . 1 . . . . . 166 ILE CB . 53814 1 748 . 1 . 1 98 98 ILE N N 15 126.432 0.009 . 1 . . . . . 166 ILE N . 53814 1 749 . 1 . 1 99 99 GLU H H 1 8.536 0.004 . 1 . . . . . 167 GLU H . 53814 1 750 . 1 . 1 99 99 GLU HA H 1 4.359 0 . 1 . . . . . 167 GLU HA . 53814 1 751 . 1 . 1 99 99 GLU HB2 H 1 2.044 0 . 1 . . . . . 167 GLU HB2 . 53814 1 752 . 1 . 1 99 99 GLU HB3 H 1 1.912 0 . 1 . . . . . 167 GLU HB3 . 53814 1 753 . 1 . 1 99 99 GLU HG2 H 1 2.275 0 . 1 . . . . . 167 GLU HG2 . 53814 1 754 . 1 . 1 99 99 GLU C C 13 172.903 0 . 1 . . . . . 167 GLU C . 53814 1 755 . 1 . 1 99 99 GLU CA C 13 53.627 0.018 . 1 . . . . . 167 GLU CA . 53814 1 756 . 1 . 1 99 99 GLU CB C 13 27.91 0.021 . 1 . . . . . 167 GLU CB . 53814 1 757 . 1 . 1 99 99 GLU N N 15 125.953 0.004 . 1 . . . . . 167 GLU N . 53814 1 758 . 1 . 1 100 100 ALA H H 1 8.404 0.008 . 1 . . . . . 168 ALA H . 53814 1 759 . 1 . 1 100 100 ALA HA H 1 4.252 0 . 1 . . . . . 168 ALA HA . 53814 1 760 . 1 . 1 100 100 ALA HB1 H 1 1.364 0 . 1 . . . . . 168 ALA HB . 53814 1 761 . 1 . 1 100 100 ALA HB2 H 1 1.364 0 . 1 . . . . . 168 ALA HB . 53814 1 762 . 1 . 1 100 100 ALA HB3 H 1 1.364 0 . 1 . . . . . 168 ALA HB . 53814 1 763 . 1 . 1 100 100 ALA CA C 13 47.795 0 . 1 . . . . . 168 ALA CA . 53814 1 764 . 1 . 1 100 100 ALA CB C 13 15.528 0 . 1 . . . . . 168 ALA CB . 53814 1 765 . 1 . 1 100 100 ALA N N 15 126.584 0.002 . 1 . . . . . 168 ALA N . 53814 1 766 . 1 . 1 101 101 PRO C C 13 174.204 0 . 1 . . . . . 169 PRO C . 53814 1 767 . 1 . 1 101 101 PRO CA C 13 60.507 0.034 . 1 . . . . . 169 PRO CA . 53814 1 768 . 1 . 1 101 101 PRO CB C 13 29.6 0.033 . 1 . . . . . 169 PRO CB . 53814 1 769 . 1 . 1 102 102 GLN H H 1 8.573 0.007 . 1 . . . . . 170 GLN H . 53814 1 770 . 1 . 1 102 102 GLN HA H 1 4.367 0 . 1 . . . . . 170 GLN HA . 53814 1 771 . 1 . 1 102 102 GLN HB2 H 1 2.087 0 . 1 . . . . . 170 GLN HB2 . 53814 1 772 . 1 . 1 102 102 GLN HB3 H 1 1.976 0 . 1 . . . . . 170 GLN HB3 . 53814 1 773 . 1 . 1 102 102 GLN HG2 H 1 2.428 0 . 1 . . . . . 170 GLN HG2 . 53814 1 774 . 1 . 1 102 102 GLN C C 13 173.282 0 . 1 . . . . . 170 GLN C . 53814 1 775 . 1 . 1 102 102 GLN CA C 13 53.268 0.013 . 1 . . . . . 170 GLN CA . 53814 1 776 . 1 . 1 102 102 GLN CB C 13 27.096 0.031 . 1 . . . . . 170 GLN CB . 53814 1 777 . 1 . 1 102 102 GLN N N 15 121.221 0 . 1 . . . . . 170 GLN N . 53814 1 778 . 1 . 1 103 103 VAL H H 1 8.228 0.006 . 1 . . . . . 171 VAL H . 53814 1 779 . 1 . 1 103 103 VAL HA H 1 4.157 0.004 . 1 . . . . . 171 VAL HA . 53814 1 780 . 1 . 1 103 103 VAL HB H 1 2.083 0.006 . 1 . . . . . 171 VAL HB . 53814 1 781 . 1 . 1 103 103 VAL HG11 H 1 0.968 0.001 . 1 . . . . . 171 VAL HG1 . 53814 1 782 . 1 . 1 103 103 VAL HG12 H 1 0.968 0.001 . 1 . . . . . 171 VAL HG1 . 53814 1 783 . 1 . 1 103 103 VAL HG13 H 1 0.968 0.001 . 1 . . . . . 171 VAL HG1 . 53814 1 784 . 1 . 1 103 103 VAL CA C 13 57.14 0 . 1 . . . . . 171 VAL CA . 53814 1 785 . 1 . 1 103 103 VAL CB C 13 30.161 0 . 1 . . . . . 171 VAL CB . 53814 1 786 . 1 . 1 103 103 VAL N N 15 122.236 0.074 . 1 . . . . . 171 VAL N . 53814 1 787 . 1 . 1 105 105 PRO C C 13 173.613 0 . 1 . . . . . 173 PRO C . 53814 1 788 . 1 . 1 105 105 PRO CA C 13 60.589 0.011 . 1 . . . . . 173 PRO CA . 53814 1 789 . 1 . 1 105 105 PRO CB C 13 29.398 0.016 . 1 . . . . . 173 PRO CB . 53814 1 790 . 1 . 1 106 106 TYR H H 1 8.067 0.005 . 1 . . . . . 174 TYR H . 53814 1 791 . 1 . 1 106 106 TYR HA H 1 4.585 0 . 1 . . . . . 174 TYR HA . 53814 1 792 . 1 . 1 106 106 TYR HB2 H 1 3.045 0 . 1 . . . . . 174 TYR HB2 . 53814 1 793 . 1 . 1 106 106 TYR HB3 H 1 3.043 0 . 1 . . . . . 174 TYR HB3 . 53814 1 794 . 1 . 1 106 106 TYR C C 13 173.157 0 . 1 . . . . . 174 TYR C . 53814 1 795 . 1 . 1 106 106 TYR CA C 13 55.298 0.029 . 1 . . . . . 174 TYR CA . 53814 1 796 . 1 . 1 106 106 TYR CB C 13 36.121 0.037 . 1 . . . . . 174 TYR CB . 53814 1 797 . 1 . 1 106 106 TYR N N 15 119.745 0 . 1 . . . . . 174 TYR N . 53814 1 798 . 1 . 1 107 107 SER H H 1 8.258 0.006 . 1 . . . . . 175 SER H . 53814 1 799 . 1 . 1 107 107 SER HA H 1 4.502 0 . 1 . . . . . 175 SER HA . 53814 1 800 . 1 . 1 107 107 SER HB3 H 1 3.82 0 . 1 . . . . . 175 SER HB3 . 53814 1 801 . 1 . 1 107 107 SER C C 13 171.852 0 . 1 . . . . . 175 SER C . 53814 1 802 . 1 . 1 107 107 SER CA C 13 55.349 0.063 . 1 . . . . . 175 SER CA . 53814 1 803 . 1 . 1 107 107 SER CB C 13 61.481 0.024 . 1 . . . . . 175 SER CB . 53814 1 804 . 1 . 1 107 107 SER N N 15 117.326 0.015 . 1 . . . . . 175 SER N . 53814 1 805 . 1 . 1 108 108 THR H H 1 8.244 0.006 . 1 . . . . . 176 THR H . 53814 1 806 . 1 . 1 108 108 THR HA H 1 4.394 0 . 1 . . . . . 176 THR HA . 53814 1 807 . 1 . 1 108 108 THR HB H 1 4.228 0 . 1 . . . . . 176 THR HB . 53814 1 808 . 1 . 1 108 108 THR HG21 H 1 1.186 0 . 1 . . . . . 176 THR HG2 . 53814 1 809 . 1 . 1 108 108 THR HG22 H 1 1.186 0 . 1 . . . . . 176 THR HG2 . 53814 1 810 . 1 . 1 108 108 THR HG23 H 1 1.186 0 . 1 . . . . . 176 THR HG2 . 53814 1 811 . 1 . 1 108 108 THR C C 13 173.719 0 . 1 . . . . . 176 THR C . 53814 1 812 . 1 . 1 108 108 THR CA C 13 59.269 0.045 . 1 . . . . . 176 THR CA . 53814 1 813 . 1 . 1 108 108 THR CB C 13 67.219 0.025 . 1 . . . . . 176 THR CB . 53814 1 814 . 1 . 1 108 108 THR N N 15 115.901 0.001 . 1 . . . . . 176 THR N . 53814 1 815 . 1 . 1 109 109 PHE H H 1 8.291 0.015 . 1 . . . . . 177 PHE H . 53814 1 816 . 1 . 1 109 109 PHE HA H 1 4.676 0 . 1 . . . . . 177 PHE HA . 53814 1 817 . 1 . 1 109 109 PHE HB2 H 1 3.168 0 . 1 . . . . . 177 PHE HB2 . 53814 1 818 . 1 . 1 109 109 PHE HB3 H 1 3.007 0 . 1 . . . . . 177 PHE HB3 . 53814 1 819 . 1 . 1 109 109 PHE C C 13 173.521 0 . 1 . . . . . 177 PHE C . 53814 1 820 . 1 . 1 109 109 PHE CA C 13 55.48 0.024 . 1 . . . . . 177 PHE CA . 53814 1 821 . 1 . 1 109 109 PHE CB C 13 37.028 0.063 . 1 . . . . . 177 PHE CB . 53814 1 822 . 1 . 1 109 109 PHE N N 15 122.028 0.007 . 1 . . . . . 177 PHE N . 53814 1 823 . 1 . 1 110 110 GLY H H 1 8.302 0.004 . 1 . . . . . 178 GLY H . 53814 1 824 . 1 . 1 110 110 GLY HA2 H 1 3.97 0 . 1 . . . . . 178 GLY HA2 . 53814 1 825 . 1 . 1 110 110 GLY HA3 H 1 3.946 0 . 1 . . . . . 178 GLY HA3 . 53814 1 826 . 1 . 1 110 110 GLY C C 13 173.613 0 . 1 . . . . . 178 GLY C . 53814 1 827 . 1 . 1 110 110 GLY CA C 13 42.593 0.021 . 1 . . . . . 178 GLY CA . 53814 1 828 . 1 . 1 110 110 GLY N N 15 110.596 0.002 . 1 . . . . . 178 GLY N . 53814 1 829 . 1 . 1 111 111 GLU H H 1 8.3 0.006 . 1 . . . . . 179 GLU H . 53814 1 830 . 1 . 1 111 111 GLU HA H 1 4.359 0 . 1 . . . . . 179 GLU HA . 53814 1 831 . 1 . 1 111 111 GLU HB2 H 1 2.115 0 . 1 . . . . . 179 GLU HB2 . 53814 1 832 . 1 . 1 111 111 GLU HB3 H 1 1.987 0 . 1 . . . . . 179 GLU HB3 . 53814 1 833 . 1 . 1 111 111 GLU HG2 H 1 2.304 0 . 1 . . . . . 179 GLU HG2 . 53814 1 834 . 1 . 1 111 111 GLU C C 13 174.032 0 . 1 . . . . . 179 GLU C . 53814 1 835 . 1 . 1 111 111 GLU CA C 13 53.873 0.014 . 1 . . . . . 179 GLU CA . 53814 1 836 . 1 . 1 111 111 GLU CB C 13 27.94 0.047 . 1 . . . . . 179 GLU CB . 53814 1 837 . 1 . 1 111 111 GLU N N 15 120.791 0 . 1 . . . . . 179 GLU N . 53814 1 838 . 1 . 1 112 112 SER H H 1 8.477 0.011 . 1 . . . . . 180 SER H . 53814 1 839 . 1 . 1 112 112 SER HA H 1 4.48 0 . 1 . . . . . 180 SER HA . 53814 1 840 . 1 . 1 112 112 SER HB2 H 1 3.883 0 . 1 . . . . . 180 SER HB2 . 53814 1 841 . 1 . 1 112 112 SER HB3 H 1 3.895 0 . 1 . . . . . 180 SER HB3 . 53814 1 842 . 1 . 1 112 112 SER C C 13 173.745 0 . 1 . . . . . 180 SER C . 53814 1 843 . 1 . 1 112 112 SER CA C 13 55.652 0.04 . 1 . . . . . 180 SER CA . 53814 1 844 . 1 . 1 112 112 SER CB C 13 61.462 0.062 . 1 . . . . . 180 SER CB . 53814 1 845 . 1 . 1 112 112 SER N N 15 116.916 0 . 1 . . . . . 180 SER N . 53814 1 846 . 1 . 1 113 113 SER H H 1 8.373 0.006 . 1 . . . . . 181 SER H . 53814 1 847 . 1 . 1 113 113 SER HA H 1 4.474 0 . 1 . . . . . 181 SER HA . 53814 1 848 . 1 . 1 113 113 SER HB2 H 1 3.838 0 . 1 . . . . . 181 SER HB2 . 53814 1 849 . 1 . 1 113 113 SER HB3 H 1 3.835 0 . 1 . . . . . 181 SER HB3 . 53814 1 850 . 1 . 1 113 113 SER C C 13 171.698 0 . 1 . . . . . 181 SER C . 53814 1 851 . 1 . 1 113 113 SER CA C 13 55.621 0.141 . 1 . . . . . 181 SER CA . 53814 1 852 . 1 . 1 113 113 SER CB C 13 61.396 0.021 . 1 . . . . . 181 SER CB . 53814 1 853 . 1 . 1 113 113 SER N N 15 117.918 0 . 1 . . . . . 181 SER N . 53814 1 854 . 1 . 1 114 114 PHE H H 1 8.282 0.003 . 1 . . . . . 182 PHE H . 53814 1 855 . 1 . 1 114 114 PHE HA H 1 4.648 0 . 1 . . . . . 182 PHE HA . 53814 1 856 . 1 . 1 114 114 PHE HB2 H 1 3.182 0 . 1 . . . . . 182 PHE HB2 . 53814 1 857 . 1 . 1 114 114 PHE HB3 H 1 3.044 0 . 1 . . . . . 182 PHE HB3 . 53814 1 858 . 1 . 1 114 114 PHE C C 13 172.683 0 . 1 . . . . . 182 PHE C . 53814 1 859 . 1 . 1 114 114 PHE CA C 13 55.295 0.121 . 1 . . . . . 182 PHE CA . 53814 1 860 . 1 . 1 114 114 PHE CB C 13 36.953 0.104 . 1 . . . . . 182 PHE CB . 53814 1 861 . 1 . 1 114 114 PHE N N 15 121.911 0.009 . 1 . . . . . 182 PHE N . 53814 1 862 . 1 . 1 115 115 ASN H H 1 8.439 0.005 . 1 . . . . . 183 ASN H . 53814 1 863 . 1 . 1 115 115 ASN HA H 1 4.725 0 . 1 . . . . . 183 ASN HA . 53814 1 864 . 1 . 1 115 115 ASN HB2 H 1 2.86 0 . 1 . . . . . 183 ASN HB2 . 53814 1 865 . 1 . 1 115 115 ASN HB3 H 1 2.727 0 . 1 . . . . . 183 ASN HB3 . 53814 1 866 . 1 . 1 115 115 ASN C C 13 171.994 0 . 1 . . . . . 183 ASN C . 53814 1 867 . 1 . 1 115 115 ASN CA C 13 50.589 0.063 . 1 . . . . . 183 ASN CA . 53814 1 868 . 1 . 1 115 115 ASN CB C 13 36.647 0.025 . 1 . . . . . 183 ASN CB . 53814 1 869 . 1 . 1 115 115 ASN N N 15 120.279 0.015 . 1 . . . . . 183 ASN N . 53814 1 870 . 1 . 1 116 116 ASN H H 1 8.388 0.004 . 1 . . . . . 184 ASN H . 53814 1 871 . 1 . 1 116 116 ASN HA H 1 4.692 0 . 1 . . . . . 184 ASN HA . 53814 1 872 . 1 . 1 116 116 ASN HB2 H 1 2.877 0 . 1 . . . . . 184 ASN HB2 . 53814 1 873 . 1 . 1 116 116 ASN HB3 H 1 2.747 0 . 1 . . . . . 184 ASN HB3 . 53814 1 874 . 1 . 1 116 116 ASN C C 13 171.556 0 . 1 . . . . . 184 ASN C . 53814 1 875 . 1 . 1 116 116 ASN CA C 13 50.655 0.029 . 1 . . . . . 184 ASN CA . 53814 1 876 . 1 . 1 116 116 ASN CB C 13 36.604 0.013 . 1 . . . . . 184 ASN CB . 53814 1 877 . 1 . 1 116 116 ASN N N 15 119.966 0 . 1 . . . . . 184 ASN N . 53814 1 878 . 1 . 1 117 117 GLU H H 1 7.997 0.008 . 1 . . . . . 185 GLU H . 53814 1 879 . 1 . 1 117 117 GLU HA H 1 4.152 0 . 1 . . . . . 185 GLU HA . 53814 1 880 . 1 . 1 117 117 GLU HB2 H 1 2.06 0 . 1 . . . . . 185 GLU HB2 . 53814 1 881 . 1 . 1 117 117 GLU HB3 H 1 1.937 0 . 1 . . . . . 185 GLU HB3 . 53814 1 882 . 1 . 1 117 117 GLU HG2 H 1 2.254 0 . 1 . . . . . 185 GLU HG2 . 53814 1 883 . 1 . 1 117 117 GLU CA C 13 55.626 0 . 1 . . . . . 185 GLU CA . 53814 1 884 . 1 . 1 117 117 GLU CB C 13 28.443 0 . 1 . . . . . 185 GLU CB . 53814 1 885 . 1 . 1 117 117 GLU N N 15 125.856 0.008 . 1 . . . . . 185 GLU N . 53814 1 stop_ save_