################################### # 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_2_Rab1b-GTP _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2_Rab1b-GTP _Assigned_chem_shift_list.Entry_ID 50172 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Rab1b-GTP _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_DSS _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' . . . 50172 1 2 '3D 1H-15N NOESY' . . . 50172 1 3 '3D HNCACB' . . . 50172 1 4 '3D CBCA(CO)NH' . . . 50172 1 5 '3D HNCO' . . . 50172 1 6 '3D HN(CO)CA' . . . 50172 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 PRO C C 13 175.411 0.010 . 1 . . . . . 3 PRO C . 50172 1 2 . 1 . 1 2 2 PRO CA C 13 65.626 0.035 . 1 . . . . . 3 PRO CA . 50172 1 3 . 1 . 1 2 2 PRO CB C 13 34.664 0.000 . 1 . . . . . 3 PRO CB . 50172 1 4 . 1 . 1 3 3 GLU H H 1 8.505 0.009 . 1 . . . . . 4 GLU H . 50172 1 5 . 1 . 1 3 3 GLU HA H 1 4.306 0.000 . 1 . . . . . 4 GLU HA . 50172 1 6 . 1 . 1 3 3 GLU C C 13 174.029 0.009 . 1 . . . . . 4 GLU C . 50172 1 7 . 1 . 1 3 3 GLU CA C 13 59.704 0.018 . 1 . . . . . 4 GLU CA . 50172 1 8 . 1 . 1 3 3 GLU CB C 13 32.952 0.000 . 1 . . . . . 4 GLU CB . 50172 1 9 . 1 . 1 3 3 GLU N N 15 122.147 0.041 . 1 . . . . . 4 GLU N . 50172 1 10 . 1 . 1 4 4 TYR H H 1 7.065 0.007 . 1 . . . . . 5 TYR H . 50172 1 11 . 1 . 1 4 4 TYR HA H 1 4.109 0.000 . 1 . . . . . 5 TYR HA . 50172 1 12 . 1 . 1 4 4 TYR HE1 H 1 6.697 0.000 . 1 . . . . . 5 TYR HE1 . 50172 1 13 . 1 . 1 4 4 TYR HE2 H 1 6.697 0.000 . 1 . . . . . 5 TYR HE2 . 50172 1 14 . 1 . 1 4 4 TYR C C 13 172.434 0.011 . 1 . . . . . 5 TYR C . 50172 1 15 . 1 . 1 4 4 TYR CA C 13 58.301 0.043 . 1 . . . . . 5 TYR CA . 50172 1 16 . 1 . 1 4 4 TYR CB C 13 41.441 0.000 . 1 . . . . . 5 TYR CB . 50172 1 17 . 1 . 1 4 4 TYR N N 15 115.043 0.042 . 1 . . . . . 5 TYR N . 50172 1 18 . 1 . 1 5 5 ASP H H 1 9.044 0.007 . 1 . . . . . 6 ASP H . 50172 1 19 . 1 . 1 5 5 ASP HA H 1 4.538 0.000 . 1 . . . . . 6 ASP HA . 50172 1 20 . 1 . 1 5 5 ASP HB2 H 1 2.686 0.000 . 2 . . . . . 6 ASP HB2 . 50172 1 21 . 1 . 1 5 5 ASP HB3 H 1 2.940 0.000 . 2 . . . . . 6 ASP HB3 . 50172 1 22 . 1 . 1 5 5 ASP C C 13 174.161 0.006 . 1 . . . . . 6 ASP C . 50172 1 23 . 1 . 1 5 5 ASP CA C 13 59.504 0.036 . 1 . . . . . 6 ASP CA . 50172 1 24 . 1 . 1 5 5 ASP N N 15 120.677 0.032 . 1 . . . . . 6 ASP N . 50172 1 25 . 1 . 1 6 6 TYR H H 1 7.739 0.005 . 1 . . . . . 7 TYR H . 50172 1 26 . 1 . 1 6 6 TYR HA H 1 4.566 0.000 . 1 . . . . . 7 TYR HA . 50172 1 27 . 1 . 1 6 6 TYR HD1 H 1 7.012 0.000 . 1 . . . . . 7 TYR HD1 . 50172 1 28 . 1 . 1 6 6 TYR HD2 H 1 7.012 0.000 . 1 . . . . . 7 TYR HD2 . 50172 1 29 . 1 . 1 6 6 TYR HE1 H 1 6.713 0.000 . 1 . . . . . 7 TYR HE1 . 50172 1 30 . 1 . 1 6 6 TYR HE2 H 1 6.713 0.000 . 1 . . . . . 7 TYR HE2 . 50172 1 31 . 1 . 1 6 6 TYR C C 13 171.271 0.004 . 1 . . . . . 7 TYR C . 50172 1 32 . 1 . 1 6 6 TYR CA C 13 59.052 0.018 . 1 . . . . . 7 TYR CA . 50172 1 33 . 1 . 1 6 6 TYR CB C 13 46.429 0.000 . 1 . . . . . 7 TYR CB . 50172 1 34 . 1 . 1 6 6 TYR N N 15 115.799 0.094 . 1 . . . . . 7 TYR N . 50172 1 35 . 1 . 1 7 7 LEU H H 1 8.412 0.011 . 1 . . . . . 8 LEU H . 50172 1 36 . 1 . 1 7 7 LEU HA H 1 4.783 0.000 . 1 . . . . . 8 LEU HA . 50172 1 37 . 1 . 1 7 7 LEU C C 13 174.560 0.019 . 1 . . . . . 8 LEU C . 50172 1 38 . 1 . 1 7 7 LEU CB C 13 46.084 0.000 . 1 . . . . . 8 LEU CB . 50172 1 39 . 1 . 1 7 7 LEU N N 15 126.135 0.141 . 1 . . . . . 8 LEU N . 50172 1 40 . 1 . 1 8 8 PHE H H 1 8.731 0.007 . 1 . . . . . 9 PHE H . 50172 1 41 . 1 . 1 8 8 PHE HA H 1 5.132 0.000 . 1 . . . . . 9 PHE HA . 50172 1 42 . 1 . 1 8 8 PHE C C 13 173.022 0.000 . 1 . . . . . 9 PHE C . 50172 1 43 . 1 . 1 8 8 PHE CA C 13 53.819 0.013 . 1 . . . . . 9 PHE CA . 50172 1 44 . 1 . 1 8 8 PHE N N 15 125.019 0.076 . 1 . . . . . 9 PHE N . 50172 1 45 . 1 . 1 9 9 LYS H H 1 11.524 0.016 . 1 . . . . . 10 LYS H . 50172 1 46 . 1 . 1 9 9 LYS C C 13 174.870 0.038 . 1 . . . . . 10 LYS C . 50172 1 47 . 1 . 1 9 9 LYS CA C 13 58.388 0.015 . 1 . . . . . 10 LYS CA . 50172 1 48 . 1 . 1 9 9 LYS N N 15 127.883 0.080 . 1 . . . . . 10 LYS N . 50172 1 49 . 1 . 1 10 10 LEU H H 1 9.684 0.014 . 1 . . . . . 11 LEU H . 50172 1 50 . 1 . 1 10 10 LEU C C 13 174.010 0.002 . 1 . . . . . 11 LEU C . 50172 1 51 . 1 . 1 10 10 LEU CA C 13 55.325 0.028 . 1 . . . . . 11 LEU CA . 50172 1 52 . 1 . 1 10 10 LEU N N 15 126.991 0.082 . 1 . . . . . 11 LEU N . 50172 1 53 . 1 . 1 11 11 LEU H H 1 8.134 0.009 . 1 . . . . . 12 LEU H . 50172 1 54 . 1 . 1 11 11 LEU C C 13 173.906 0.021 . 1 . . . . . 12 LEU C . 50172 1 55 . 1 . 1 11 11 LEU N N 15 122.363 0.028 . 1 . . . . . 12 LEU N . 50172 1 56 . 1 . 1 12 12 LEU H H 1 8.272 0.006 . 1 . . . . . 13 LEU H . 50172 1 57 . 1 . 1 12 12 LEU C C 13 174.174 0.000 . 1 . . . . . 13 LEU C . 50172 1 58 . 1 . 1 12 12 LEU N N 15 123.964 0.043 . 1 . . . . . 13 LEU N . 50172 1 59 . 1 . 1 13 13 ILE H H 1 8.809 0.007 . 1 . . . . . 14 ILE H . 50172 1 60 . 1 . 1 13 13 ILE C C 13 171.335 0.000 . 1 . . . . . 14 ILE C . 50172 1 61 . 1 . 1 13 13 ILE CA C 13 61.802 0.002 . 1 . . . . . 14 ILE CA . 50172 1 62 . 1 . 1 13 13 ILE N N 15 117.429 0.038 . 1 . . . . . 14 ILE N . 50172 1 63 . 1 . 1 15 15 ASP C C 13 175.602 0.007 . 1 . . . . . 16 ASP C . 50172 1 64 . 1 . 1 15 15 ASP CA C 13 58.596 0.002 . 1 . . . . . 16 ASP CA . 50172 1 65 . 1 . 1 16 16 SER H H 1 8.851 0.012 . 1 . . . . . 17 SER H . 50172 1 66 . 1 . 1 16 16 SER C C 13 174.734 0.041 . 1 . . . . . 17 SER C . 50172 1 67 . 1 . 1 16 16 SER CA C 13 63.119 0.024 . 1 . . . . . 17 SER CA . 50172 1 68 . 1 . 1 16 16 SER N N 15 116.190 0.059 . 1 . . . . . 17 SER N . 50172 1 69 . 1 . 1 17 17 GLY H H 1 8.203 0.005 . 1 . . . . . 18 GLY H . 50172 1 70 . 1 . 1 17 17 GLY C C 13 172.465 0.000 . 1 . . . . . 18 GLY C . 50172 1 71 . 1 . 1 17 17 GLY CA C 13 48.387 0.042 . 1 . . . . . 18 GLY CA . 50172 1 72 . 1 . 1 17 17 GLY N N 15 112.541 0.070 . 1 . . . . . 18 GLY N . 50172 1 73 . 1 . 1 18 18 VAL H H 1 7.466 0.007 . 1 . . . . . 19 VAL H . 50172 1 74 . 1 . 1 18 18 VAL C C 13 173.233 0.002 . 1 . . . . . 19 VAL C . 50172 1 75 . 1 . 1 18 18 VAL CA C 13 66.233 0.017 . 1 . . . . . 19 VAL CA . 50172 1 76 . 1 . 1 18 18 VAL N N 15 113.510 0.083 . 1 . . . . . 19 VAL N . 50172 1 77 . 1 . 1 19 19 GLY H H 1 8.436 0.010 . 1 . . . . . 20 GLY H . 50172 1 78 . 1 . 1 19 19 GLY C C 13 172.853 0.032 . 1 . . . . . 20 GLY C . 50172 1 79 . 1 . 1 19 19 GLY CA C 13 48.769 0.005 . 1 . . . . . 20 GLY CA . 50172 1 80 . 1 . 1 19 19 GLY N N 15 108.448 0.113 . 1 . . . . . 20 GLY N . 50172 1 81 . 1 . 1 20 20 LYS H H 1 9.059 0.012 . 1 . . . . . 21 LYS H . 50172 1 82 . 1 . 1 20 20 LYS C C 13 175.729 0.086 . 1 . . . . . 21 LYS C . 50172 1 83 . 1 . 1 20 20 LYS CA C 13 63.758 0.022 . 1 . . . . . 21 LYS CA . 50172 1 84 . 1 . 1 20 20 LYS N N 15 123.928 0.040 . 1 . . . . . 21 LYS N . 50172 1 85 . 1 . 1 21 21 SER H H 1 9.088 0.006 . 1 . . . . . 22 SER H . 50172 1 86 . 1 . 1 21 21 SER C C 13 176.659 0.000 . 1 . . . . . 22 SER C . 50172 1 87 . 1 . 1 21 21 SER CA C 13 64.173 0.036 . 1 . . . . . 22 SER CA . 50172 1 88 . 1 . 1 21 21 SER N N 15 117.658 0.047 . 1 . . . . . 22 SER N . 50172 1 89 . 1 . 1 22 22 CYS H H 1 9.327 0.007 . 1 . . . . . 23 CYS H . 50172 1 90 . 1 . 1 22 22 CYS C C 13 176.711 0.009 . 1 . . . . . 23 CYS C . 50172 1 91 . 1 . 1 22 22 CYS CA C 13 67.480 0.012 . 1 . . . . . 23 CYS CA . 50172 1 92 . 1 . 1 22 22 CYS CB C 13 29.690 0.000 . 1 . . . . . 23 CYS CB . 50172 1 93 . 1 . 1 22 22 CYS N N 15 122.445 0.062 . 1 . . . . . 23 CYS N . 50172 1 94 . 1 . 1 23 23 LEU H H 1 9.085 0.009 . 1 . . . . . 24 LEU H . 50172 1 95 . 1 . 1 23 23 LEU C C 13 176.869 0.000 . 1 . . . . . 24 LEU C . 50172 1 96 . 1 . 1 23 23 LEU CA C 13 61.983 0.014 . 1 . . . . . 24 LEU CA . 50172 1 97 . 1 . 1 23 23 LEU N N 15 126.421 0.058 . 1 . . . . . 24 LEU N . 50172 1 98 . 1 . 1 24 24 LEU H H 1 7.974 0.006 . 1 . . . . . 25 LEU H . 50172 1 99 . 1 . 1 24 24 LEU C C 13 176.621 0.012 . 1 . . . . . 25 LEU C . 50172 1 100 . 1 . 1 24 24 LEU CA C 13 60.479 0.026 . 1 . . . . . 25 LEU CA . 50172 1 101 . 1 . 1 24 24 LEU N N 15 120.019 0.039 . 1 . . . . . 25 LEU N . 50172 1 102 . 1 . 1 25 25 LEU H H 1 8.888 0.008 . 1 . . . . . 26 LEU H . 50172 1 103 . 1 . 1 25 25 LEU C C 13 178.841 0.022 . 1 . . . . . 26 LEU C . 50172 1 104 . 1 . 1 25 25 LEU CA C 13 60.675 0.031 . 1 . . . . . 26 LEU CA . 50172 1 105 . 1 . 1 25 25 LEU N N 15 121.970 0.051 . 1 . . . . . 26 LEU N . 50172 1 106 . 1 . 1 26 26 ARG H H 1 8.468 0.006 . 1 . . . . . 27 ARG H . 50172 1 107 . 1 . 1 26 26 ARG C C 13 176.888 0.000 . 1 . . . . . 27 ARG C . 50172 1 108 . 1 . 1 26 26 ARG CA C 13 60.193 0.013 . 1 . . . . . 27 ARG CA . 50172 1 109 . 1 . 1 26 26 ARG N N 15 120.509 0.042 . 1 . . . . . 27 ARG N . 50172 1 110 . 1 . 1 27 27 PHE H H 1 8.247 0.006 . 1 . . . . . 28 PHE H . 50172 1 111 . 1 . 1 27 27 PHE C C 13 175.010 0.000 . 1 . . . . . 28 PHE C . 50172 1 112 . 1 . 1 27 27 PHE CA C 13 62.594 0.074 . 1 . . . . . 28 PHE CA . 50172 1 113 . 1 . 1 27 27 PHE N N 15 120.319 0.070 . 1 . . . . . 28 PHE N . 50172 1 114 . 1 . 1 28 28 ALA H H 1 9.261 0.009 . 1 . . . . . 29 ALA H . 50172 1 115 . 1 . 1 28 28 ALA C C 13 176.527 0.024 . 1 . . . . . 29 ALA C . 50172 1 116 . 1 . 1 28 28 ALA CA C 13 57.124 0.056 . 1 . . . . . 29 ALA CA . 50172 1 117 . 1 . 1 28 28 ALA CB C 13 21.688 0.000 . 1 . . . . . 29 ALA CB . 50172 1 118 . 1 . 1 28 28 ALA N N 15 119.371 0.063 . 1 . . . . . 29 ALA N . 50172 1 119 . 1 . 1 29 29 ASP H H 1 7.625 0.009 . 1 . . . . . 30 ASP H . 50172 1 120 . 1 . 1 29 29 ASP C C 13 174.386 0.003 . 1 . . . . . 30 ASP C . 50172 1 121 . 1 . 1 29 29 ASP CA C 13 56.577 0.080 . 1 . . . . . 30 ASP CA . 50172 1 122 . 1 . 1 29 29 ASP CB C 13 45.933 0.000 . 1 . . . . . 30 ASP CB . 50172 1 123 . 1 . 1 29 29 ASP N N 15 115.757 0.134 . 1 . . . . . 30 ASP N . 50172 1 124 . 1 . 1 30 30 ASP H H 1 7.743 0.004 . 1 . . . . . 31 ASP H . 50172 1 125 . 1 . 1 30 30 ASP C C 13 173.208 0.017 . 1 . . . . . 31 ASP C . 50172 1 126 . 1 . 1 30 30 ASP CA C 13 57.819 0.034 . 1 . . . . . 31 ASP CA . 50172 1 127 . 1 . 1 30 30 ASP N N 15 121.767 0.066 . 1 . . . . . 31 ASP N . 50172 1 128 . 1 . 1 31 31 THR H H 1 7.196 0.005 . 1 . . . . . 32 THR H . 50172 1 129 . 1 . 1 31 31 THR C C 13 170.035 0.000 . 1 . . . . . 32 THR C . 50172 1 130 . 1 . 1 31 31 THR CA C 13 62.570 0.070 . 1 . . . . . 32 THR CA . 50172 1 131 . 1 . 1 31 31 THR CB C 13 73.672 0.000 . 1 . . . . . 32 THR CB . 50172 1 132 . 1 . 1 31 31 THR N N 15 110.460 0.063 . 1 . . . . . 32 THR N . 50172 1 133 . 1 . 1 32 32 TYR H H 1 8.089 0.009 . 1 . . . . . 33 TYR H . 50172 1 134 . 1 . 1 32 32 TYR CA C 13 61.088 0.031 . 1 . . . . . 33 TYR CA . 50172 1 135 . 1 . 1 32 32 TYR CB C 13 44.619 0.000 . 1 . . . . . 33 TYR CB . 50172 1 136 . 1 . 1 32 32 TYR N N 15 119.394 0.045 . 1 . . . . . 33 TYR N . 50172 1 137 . 1 . 1 33 33 THR C C 13 169.548 0.000 . 1 . . . . . 34 THR C . 50172 1 138 . 1 . 1 33 33 THR CA C 13 61.201 0.002 . 1 . . . . . 34 THR CA . 50172 1 139 . 1 . 1 34 34 GLU H H 1 8.393 0.004 . 1 . . . . . 35 GLU H . 50172 1 140 . 1 . 1 34 34 GLU C C 13 177.277 0.016 . 1 . . . . . 35 GLU C . 50172 1 141 . 1 . 1 34 34 GLU CA C 13 59.416 0.020 . 1 . . . . . 35 GLU CA . 50172 1 142 . 1 . 1 34 34 GLU CB C 13 32.930 0.000 . 1 . . . . . 35 GLU CB . 50172 1 143 . 1 . 1 34 34 GLU N N 15 125.168 0.037 . 1 . . . . . 35 GLU N . 50172 1 144 . 1 . 1 35 35 SER H H 1 8.101 0.007 . 1 . . . . . 36 SER H . 50172 1 145 . 1 . 1 35 35 SER C C 13 171.174 0.011 . 1 . . . . . 36 SER C . 50172 1 146 . 1 . 1 35 35 SER CA C 13 61.745 0.017 . 1 . . . . . 36 SER CA . 50172 1 147 . 1 . 1 35 35 SER CB C 13 65.908 0.000 . 1 . . . . . 36 SER CB . 50172 1 148 . 1 . 1 35 35 SER N N 15 119.474 0.067 . 1 . . . . . 36 SER N . 50172 1 149 . 1 . 1 36 36 TYR H H 1 8.787 0.011 . 1 . . . . . 37 TYR H . 50172 1 150 . 1 . 1 36 36 TYR CA C 13 57.006 0.000 . 1 . . . . . 37 TYR CA . 50172 1 151 . 1 . 1 36 36 TYR N N 15 125.262 0.115 . 1 . . . . . 37 TYR N . 50172 1 152 . 1 . 1 37 37 ILE H H 1 8.838 0.019 . 1 . . . . . 38 ILE H . 50172 1 153 . 1 . 1 37 37 ILE CA C 13 57.081 0.000 . 1 . . . . . 38 ILE CA . 50172 1 154 . 1 . 1 37 37 ILE N N 15 122.223 12.068 . 1 . . . . . 38 ILE N . 50172 1 155 . 1 . 1 44 44 PHE C C 13 173.233 0.000 . 1 . . . . . 45 PHE C . 50172 1 156 . 1 . 1 44 44 PHE CA C 13 58.563 0.000 . 1 . . . . . 45 PHE CA . 50172 1 157 . 1 . 1 45 45 LYS H H 1 8.460 0.006 . 1 . . . . . 46 LYS H . 50172 1 158 . 1 . 1 45 45 LYS C C 13 172.378 0.032 . 1 . . . . . 46 LYS C . 50172 1 159 . 1 . 1 45 45 LYS CA C 13 57.068 0.023 . 1 . . . . . 46 LYS CA . 50172 1 160 . 1 . 1 45 45 LYS N N 15 121.793 0.062 . 1 . . . . . 46 LYS N . 50172 1 161 . 1 . 1 46 46 ILE H H 1 8.181 0.005 . 1 . . . . . 47 ILE H . 50172 1 162 . 1 . 1 46 46 ILE C C 13 174.597 0.010 . 1 . . . . . 47 ILE C . 50172 1 163 . 1 . 1 46 46 ILE CA C 13 61.238 0.018 . 1 . . . . . 47 ILE CA . 50172 1 164 . 1 . 1 46 46 ILE N N 15 119.026 0.032 . 1 . . . . . 47 ILE N . 50172 1 165 . 1 . 1 47 47 ARG H H 1 8.509 0.007 . 1 . . . . . 48 ARG H . 50172 1 166 . 1 . 1 47 47 ARG C C 13 172.690 0.003 . 1 . . . . . 48 ARG C . 50172 1 167 . 1 . 1 47 47 ARG CA C 13 58.251 0.053 . 1 . . . . . 48 ARG CA . 50172 1 168 . 1 . 1 47 47 ARG CB C 13 37.108 0.000 . 1 . . . . . 48 ARG CB . 50172 1 169 . 1 . 1 47 47 ARG N N 15 126.102 0.038 . 1 . . . . . 48 ARG N . 50172 1 170 . 1 . 1 48 48 THR H H 1 8.693 0.007 . 1 . . . . . 49 THR H . 50172 1 171 . 1 . 1 48 48 THR C C 13 172.890 0.046 . 1 . . . . . 49 THR C . 50172 1 172 . 1 . 1 48 48 THR CA C 13 64.563 0.047 . 1 . . . . . 49 THR CA . 50172 1 173 . 1 . 1 48 48 THR CB C 13 72.116 0.005 . 1 . . . . . 49 THR CB . 50172 1 174 . 1 . 1 48 48 THR N N 15 123.389 0.086 . 1 . . . . . 49 THR N . 50172 1 175 . 1 . 1 49 49 ILE H H 1 9.192 0.006 . 1 . . . . . 50 ILE H . 50172 1 176 . 1 . 1 49 49 ILE C C 13 172.002 0.012 . 1 . . . . . 50 ILE C . 50172 1 177 . 1 . 1 49 49 ILE CA C 13 61.959 0.051 . 1 . . . . . 50 ILE CA . 50172 1 178 . 1 . 1 49 49 ILE N N 15 121.750 0.051 . 1 . . . . . 50 ILE N . 50172 1 179 . 1 . 1 50 50 GLU H H 1 8.308 0.008 . 1 . . . . . 51 GLU H . 50172 1 180 . 1 . 1 50 50 GLU C C 13 174.187 0.007 . 1 . . . . . 51 GLU C . 50172 1 181 . 1 . 1 50 50 GLU CA C 13 57.286 0.036 . 1 . . . . . 51 GLU CA . 50172 1 182 . 1 . 1 50 50 GLU CB C 13 34.714 0.023 . 1 . . . . . 51 GLU CB . 50172 1 183 . 1 . 1 50 50 GLU N N 15 122.386 0.069 . 1 . . . . . 51 GLU N . 50172 1 184 . 1 . 1 51 51 LEU H H 1 8.793 0.010 . 1 . . . . . 52 LEU H . 50172 1 185 . 1 . 1 51 51 LEU C C 13 174.634 0.010 . 1 . . . . . 52 LEU C . 50172 1 186 . 1 . 1 51 51 LEU CA C 13 57.019 0.095 . 1 . . . . . 52 LEU CA . 50172 1 187 . 1 . 1 51 51 LEU N N 15 125.877 0.038 . 1 . . . . . 52 LEU N . 50172 1 188 . 1 . 1 52 52 ASP H H 1 9.417 0.007 . 1 . . . . . 53 ASP H . 50172 1 189 . 1 . 1 52 52 ASP C C 13 174.641 0.009 . 1 . . . . . 53 ASP C . 50172 1 190 . 1 . 1 52 52 ASP CA C 13 57.850 0.026 . 1 . . . . . 53 ASP CA . 50172 1 191 . 1 . 1 52 52 ASP CB C 13 42.362 0.000 . 1 . . . . . 53 ASP CB . 50172 1 192 . 1 . 1 52 52 ASP N N 15 126.290 0.060 . 1 . . . . . 53 ASP N . 50172 1 193 . 1 . 1 53 53 GLY H H 1 8.887 0.004 . 1 . . . . . 54 GLY H . 50172 1 194 . 1 . 1 53 53 GLY C C 13 172.634 0.000 . 1 . . . . . 54 GLY C . 50172 1 195 . 1 . 1 53 53 GLY CA C 13 48.029 0.061 . 1 . . . . . 54 GLY CA . 50172 1 196 . 1 . 1 53 53 GLY N N 15 125.447 8.920 . 1 . . . . . 54 GLY N . 50172 1 197 . 1 . 1 54 54 LYS H H 1 8.057 0.006 . 1 . . . . . 55 LYS H . 50172 1 198 . 1 . 1 54 54 LYS C C 13 174.109 0.000 . 1 . . . . . 55 LYS C . 50172 1 199 . 1 . 1 54 54 LYS CA C 13 55.343 0.030 . 1 . . . . . 55 LYS CA . 50172 1 200 . 1 . 1 54 54 LYS CB C 13 36.412 0.076 . 1 . . . . . 55 LYS CB . 50172 1 201 . 1 . 1 54 54 LYS N N 15 121.074 0.070 . 1 . . . . . 55 LYS N . 50172 1 202 . 1 . 1 55 55 THR H H 1 9.911 0.009 . 1 . . . . . 56 THR H . 50172 1 203 . 1 . 1 55 55 THR C C 13 173.347 0.015 . 1 . . . . . 56 THR C . 50172 1 204 . 1 . 1 55 55 THR CA C 13 65.641 0.046 . 1 . . . . . 56 THR CA . 50172 1 205 . 1 . 1 55 55 THR CB C 13 71.963 0.029 . 1 . . . . . 56 THR CB . 50172 1 206 . 1 . 1 55 55 THR N N 15 120.864 0.032 . 1 . . . . . 56 THR N . 50172 1 207 . 1 . 1 56 56 ILE H H 1 9.432 0.011 . 1 . . . . . 57 ILE H . 50172 1 208 . 1 . 1 56 56 ILE C C 13 172.526 0.043 . 1 . . . . . 57 ILE C . 50172 1 209 . 1 . 1 56 56 ILE CA C 13 62.215 0.023 . 1 . . . . . 57 ILE CA . 50172 1 210 . 1 . 1 56 56 ILE CB C 13 42.548 0.000 . 1 . . . . . 57 ILE CB . 50172 1 211 . 1 . 1 56 56 ILE N N 15 130.890 0.056 . 1 . . . . . 57 ILE N . 50172 1 212 . 1 . 1 57 57 LYS H H 1 8.807 0.004 . 1 . . . . . 58 LYS H . 50172 1 213 . 1 . 1 57 57 LYS C C 13 172.317 0.006 . 1 . . . . . 58 LYS C . 50172 1 214 . 1 . 1 57 57 LYS CA C 13 58.549 0.006 . 1 . . . . . 58 LYS CA . 50172 1 215 . 1 . 1 57 57 LYS N N 15 130.459 0.036 . 1 . . . . . 58 LYS N . 50172 1 216 . 1 . 1 58 58 LEU H H 1 8.756 0.007 . 1 . . . . . 59 LEU H . 50172 1 217 . 1 . 1 58 58 LEU C C 13 173.468 0.000 . 1 . . . . . 59 LEU C . 50172 1 218 . 1 . 1 58 58 LEU CA C 13 55.445 0.026 . 1 . . . . . 59 LEU CA . 50172 1 219 . 1 . 1 58 58 LEU N N 15 127.074 0.028 . 1 . . . . . 59 LEU N . 50172 1 220 . 1 . 1 59 59 GLN H H 1 8.886 0.005 . 1 . . . . . 60 GLN H . 50172 1 221 . 1 . 1 59 59 GLN C C 13 172.463 0.002 . 1 . . . . . 60 GLN C . 50172 1 222 . 1 . 1 59 59 GLN CA C 13 57.470 0.041 . 1 . . . . . 60 GLN CA . 50172 1 223 . 1 . 1 59 59 GLN CB C 13 33.336 0.000 . 1 . . . . . 60 GLN CB . 50172 1 224 . 1 . 1 59 59 GLN N N 15 125.892 0.025 . 1 . . . . . 60 GLN N . 50172 1 225 . 1 . 1 60 60 ILE H H 1 8.707 0.008 . 1 . . . . . 61 ILE H . 50172 1 226 . 1 . 1 60 60 ILE C C 13 172.475 0.015 . 1 . . . . . 61 ILE C . 50172 1 227 . 1 . 1 60 60 ILE CA C 13 63.493 0.011 . 1 . . . . . 61 ILE CA . 50172 1 228 . 1 . 1 60 60 ILE CB C 13 32.801 0.000 . 1 . . . . . 61 ILE CB . 50172 1 229 . 1 . 1 60 60 ILE N N 15 127.139 0.064 . 1 . . . . . 61 ILE N . 50172 1 230 . 1 . 1 61 61 TRP H H 1 9.376 0.006 . 1 . . . . . 62 TRP H . 50172 1 231 . 1 . 1 61 61 TRP C C 13 172.855 0.020 . 1 . . . . . 62 TRP C . 50172 1 232 . 1 . 1 61 61 TRP CA C 13 55.006 0.000 . 1 . . . . . 62 TRP CA . 50172 1 233 . 1 . 1 61 61 TRP N N 15 128.257 0.036 . 1 . . . . . 62 TRP N . 50172 1 234 . 1 . 1 62 62 ASP H H 1 8.981 0.003 . 1 . . . . . 63 ASP H . 50172 1 235 . 1 . 1 62 62 ASP CA C 13 55.006 0.000 . 1 . . . . . 63 ASP CA . 50172 1 236 . 1 . 1 62 62 ASP N N 15 125.705 0.036 . 1 . . . . . 63 ASP N . 50172 1 237 . 1 . 1 79 79 GLY C C 13 172.366 0.000 . 1 . . . . . 80 GLY C . 50172 1 238 . 1 . 1 80 80 ALA H H 1 7.058 0.009 . 1 . . . . . 81 ALA H . 50172 1 239 . 1 . 1 80 80 ALA C C 13 176.196 0.009 . 1 . . . . . 81 ALA C . 50172 1 240 . 1 . 1 80 80 ALA CA C 13 55.296 0.076 . 1 . . . . . 81 ALA CA . 50172 1 241 . 1 . 1 80 80 ALA CB C 13 21.204 0.000 . 1 . . . . . 81 ALA CB . 50172 1 242 . 1 . 1 80 80 ALA N N 15 121.564 0.068 . 1 . . . . . 81 ALA N . 50172 1 243 . 1 . 1 81 81 HIS H H 1 9.718 0.010 . 1 . . . . . 82 HIS H . 50172 1 244 . 1 . 1 81 81 HIS C C 13 174.854 0.007 . 1 . . . . . 82 HIS C . 50172 1 245 . 1 . 1 81 81 HIS CA C 13 62.437 0.023 . 1 . . . . . 82 HIS CA . 50172 1 246 . 1 . 1 81 81 HIS N N 15 122.732 0.040 . 1 . . . . . 82 HIS N . 50172 1 247 . 1 . 1 82 82 GLY H H 1 7.786 0.002 . 1 . . . . . 83 GLY H . 50172 1 248 . 1 . 1 82 82 GLY C C 13 169.856 0.000 . 1 . . . . . 83 GLY C . 50172 1 249 . 1 . 1 82 82 GLY N N 15 124.874 8.921 . 1 . . . . . 83 GLY N . 50172 1 250 . 1 . 1 83 83 ILE H H 1 8.874 0.006 . 1 . . . . . 84 ILE H . 50172 1 251 . 1 . 1 83 83 ILE C C 13 171.669 0.007 . 1 . . . . . 84 ILE C . 50172 1 252 . 1 . 1 83 83 ILE CA C 13 63.349 0.030 . 1 . . . . . 84 ILE CA . 50172 1 253 . 1 . 1 83 83 ILE CB C 13 43.788 0.000 . 1 . . . . . 84 ILE CB . 50172 1 254 . 1 . 1 83 83 ILE N N 15 124.442 0.036 . 1 . . . . . 84 ILE N . 50172 1 255 . 1 . 1 84 84 ILE H H 1 9.034 0.005 . 1 . . . . . 85 ILE H . 50172 1 256 . 1 . 1 84 84 ILE C C 13 172.434 0.031 . 1 . . . . . 85 ILE C . 50172 1 257 . 1 . 1 84 84 ILE CA C 13 63.188 0.049 . 1 . . . . . 85 ILE CA . 50172 1 258 . 1 . 1 84 84 ILE CB C 13 41.418 0.000 . 1 . . . . . 85 ILE CB . 50172 1 259 . 1 . 1 84 84 ILE N N 15 129.254 0.037 . 1 . . . . . 85 ILE N . 50172 1 260 . 1 . 1 85 85 VAL H H 1 8.921 0.006 . 1 . . . . . 86 VAL H . 50172 1 261 . 1 . 1 85 85 VAL C C 13 172.519 0.002 . 1 . . . . . 86 VAL C . 50172 1 262 . 1 . 1 85 85 VAL CA C 13 63.565 0.029 . 1 . . . . . 86 VAL CA . 50172 1 263 . 1 . 1 85 85 VAL CB C 13 34.902 0.000 . 1 . . . . . 86 VAL CB . 50172 1 264 . 1 . 1 85 85 VAL N N 15 129.551 0.042 . 1 . . . . . 86 VAL N . 50172 1 265 . 1 . 1 86 86 VAL H H 1 8.785 0.006 . 1 . . . . . 87 VAL H . 50172 1 266 . 1 . 1 86 86 VAL C C 13 174.145 0.018 . 1 . . . . . 87 VAL C . 50172 1 267 . 1 . 1 86 86 VAL CA C 13 62.898 0.055 . 1 . . . . . 87 VAL CA . 50172 1 268 . 1 . 1 86 86 VAL CB C 13 35.754 0.000 . 1 . . . . . 87 VAL CB . 50172 1 269 . 1 . 1 86 86 VAL N N 15 128.547 0.071 . 1 . . . . . 87 VAL N . 50172 1 270 . 1 . 1 87 87 TYR H H 1 9.179 0.005 . 1 . . . . . 88 TYR H . 50172 1 271 . 1 . 1 87 87 TYR C C 13 169.165 0.000 . 1 . . . . . 88 TYR C . 50172 1 272 . 1 . 1 87 87 TYR CB C 13 42.693 0.025 . 1 . . . . . 88 TYR CB . 50172 1 273 . 1 . 1 87 87 TYR N N 15 123.770 0.055 . 1 . . . . . 88 TYR N . 50172 1 274 . 1 . 1 88 88 ASP H H 1 8.883 0.010 . 1 . . . . . 89 ASP H . 50172 1 275 . 1 . 1 88 88 ASP C C 13 176.637 0.034 . 1 . . . . . 89 ASP C . 50172 1 276 . 1 . 1 88 88 ASP CA C 13 53.884 0.031 . 1 . . . . . 89 ASP CA . 50172 1 277 . 1 . 1 88 88 ASP CB C 13 46.061 0.013 . 1 . . . . . 89 ASP CB . 50172 1 278 . 1 . 1 88 88 ASP N N 15 122.872 0.076 . 1 . . . . . 89 ASP N . 50172 1 279 . 1 . 1 89 89 VAL H H 1 8.788 0.015 . 1 . . . . . 90 VAL H . 50172 1 280 . 1 . 1 89 89 VAL C C 13 174.975 0.007 . 1 . . . . . 90 VAL C . 50172 1 281 . 1 . 1 89 89 VAL CA C 13 66.778 0.015 . 1 . . . . . 90 VAL CA . 50172 1 282 . 1 . 1 89 89 VAL CB C 13 33.204 0.000 . 1 . . . . . 90 VAL CB . 50172 1 283 . 1 . 1 89 89 VAL N N 15 119.690 0.085 . 1 . . . . . 90 VAL N . 50172 1 284 . 1 . 1 90 90 THR H H 1 9.507 0.007 . 1 . . . . . 91 THR H . 50172 1 285 . 1 . 1 90 90 THR C C 13 172.010 0.017 . 1 . . . . . 91 THR C . 50172 1 286 . 1 . 1 90 90 THR CA C 13 64.538 0.041 . 1 . . . . . 91 THR CA . 50172 1 287 . 1 . 1 90 90 THR CB C 13 72.631 0.047 . 1 . . . . . 91 THR CB . 50172 1 288 . 1 . 1 90 90 THR N N 15 114.368 0.046 . 1 . . . . . 91 THR N . 50172 1 289 . 1 . 1 91 91 ASP H H 1 8.301 0.006 . 1 . . . . . 92 ASP H . 50172 1 290 . 1 . 1 91 91 ASP C C 13 174.461 0.017 . 1 . . . . . 92 ASP C . 50172 1 291 . 1 . 1 91 91 ASP CA C 13 55.010 0.043 . 1 . . . . . 92 ASP CA . 50172 1 292 . 1 . 1 91 91 ASP CB C 13 45.725 0.051 . 1 . . . . . 92 ASP CB . 50172 1 293 . 1 . 1 91 91 ASP N N 15 125.334 0.078 . 1 . . . . . 92 ASP N . 50172 1 294 . 1 . 1 92 92 GLN H H 1 9.190 0.007 . 1 . . . . . 93 GLN H . 50172 1 295 . 1 . 1 92 92 GLN C C 13 176.771 0.022 . 1 . . . . . 93 GLN C . 50172 1 296 . 1 . 1 92 92 GLN CA C 13 61.685 0.039 . 1 . . . . . 93 GLN CA . 50172 1 297 . 1 . 1 92 92 GLN CB C 13 31.068 0.000 . 1 . . . . . 93 GLN CB . 50172 1 298 . 1 . 1 92 92 GLN N N 15 127.911 0.046 . 1 . . . . . 93 GLN N . 50172 1 299 . 1 . 1 93 93 GLU H H 1 8.298 0.009 . 1 . . . . . 94 GLU H . 50172 1 300 . 1 . 1 93 93 GLU C C 13 176.805 0.022 . 1 . . . . . 94 GLU C . 50172 1 301 . 1 . 1 93 93 GLU CA C 13 62.261 0.020 . 1 . . . . . 94 GLU CA . 50172 1 302 . 1 . 1 93 93 GLU CB C 13 31.216 0.000 . 1 . . . . . 94 GLU CB . 50172 1 303 . 1 . 1 93 93 GLU N N 15 121.554 0.055 . 1 . . . . . 94 GLU N . 50172 1 304 . 1 . 1 94 94 SER H H 1 7.957 0.005 . 1 . . . . . 95 SER H . 50172 1 305 . 1 . 1 94 94 SER C C 13 174.793 0.001 . 1 . . . . . 95 SER C . 50172 1 306 . 1 . 1 94 94 SER CA C 13 63.903 0.019 . 1 . . . . . 95 SER CA . 50172 1 307 . 1 . 1 94 94 SER CB C 13 66.165 0.054 . 1 . . . . . 95 SER CB . 50172 1 308 . 1 . 1 94 94 SER N N 15 117.486 0.051 . 1 . . . . . 95 SER N . 50172 1 309 . 1 . 1 95 95 TYR H H 1 7.189 0.004 . 1 . . . . . 96 TYR H . 50172 1 310 . 1 . 1 95 95 TYR C C 13 177.330 0.035 . 1 . . . . . 96 TYR C . 50172 1 311 . 1 . 1 95 95 TYR CA C 13 62.641 0.070 . 1 . . . . . 96 TYR CA . 50172 1 312 . 1 . 1 95 95 TYR CB C 13 42.106 0.000 . 1 . . . . . 96 TYR CB . 50172 1 313 . 1 . 1 95 95 TYR N N 15 123.984 0.033 . 1 . . . . . 96 TYR N . 50172 1 314 . 1 . 1 96 96 ALA H H 1 8.698 0.009 . 1 . . . . . 97 ALA H . 50172 1 315 . 1 . 1 96 96 ALA C C 13 179.896 0.014 . 1 . . . . . 97 ALA C . 50172 1 316 . 1 . 1 96 96 ALA CA C 13 57.913 0.009 . 1 . . . . . 97 ALA CA . 50172 1 317 . 1 . 1 96 96 ALA CB C 13 20.264 0.000 . 1 . . . . . 97 ALA CB . 50172 1 318 . 1 . 1 96 96 ALA N N 15 127.973 0.091 . 1 . . . . . 97 ALA N . 50172 1 319 . 1 . 1 97 97 ASN H H 1 8.486 0.007 . 1 . . . . . 98 ASN H . 50172 1 320 . 1 . 1 97 97 ASN C C 13 176.148 0.000 . 1 . . . . . 98 ASN C . 50172 1 321 . 1 . 1 97 97 ASN CA C 13 56.766 0.067 . 1 . . . . . 98 ASN CA . 50172 1 322 . 1 . 1 97 97 ASN CB C 13 40.678 0.000 . 1 . . . . . 98 ASN CB . 50172 1 323 . 1 . 1 97 97 ASN N N 15 115.219 0.037 . 1 . . . . . 98 ASN N . 50172 1 324 . 1 . 1 98 98 VAL H H 1 8.032 0.004 . 1 . . . . . 99 VAL H . 50172 1 325 . 1 . 1 98 98 VAL C C 13 175.963 0.033 . 1 . . . . . 99 VAL C . 50172 1 326 . 1 . 1 98 98 VAL CA C 13 70.389 0.028 . 1 . . . . . 99 VAL CA . 50172 1 327 . 1 . 1 98 98 VAL N N 15 124.982 0.062 . 1 . . . . . 99 VAL N . 50172 1 328 . 1 . 1 99 99 LYS H H 1 7.398 0.008 . 1 . . . . . 100 LYS H . 50172 1 329 . 1 . 1 99 99 LYS C C 13 177.549 0.002 . 1 . . . . . 100 LYS C . 50172 1 330 . 1 . 1 99 99 LYS CA C 13 63.290 0.024 . 1 . . . . . 100 LYS CA . 50172 1 331 . 1 . 1 99 99 LYS CB C 13 34.658 0.000 . 1 . . . . . 100 LYS CB . 50172 1 332 . 1 . 1 99 99 LYS N N 15 117.195 0.132 . 1 . . . . . 100 LYS N . 50172 1 333 . 1 . 1 100 100 GLN H H 1 7.353 0.009 . 1 . . . . . 101 GLN H . 50172 1 334 . 1 . 1 100 100 GLN C C 13 177.748 0.027 . 1 . . . . . 101 GLN C . 50172 1 335 . 1 . 1 100 100 GLN CB C 13 30.473 0.000 . 1 . . . . . 101 GLN CB . 50172 1 336 . 1 . 1 100 100 GLN N N 15 120.538 0.060 . 1 . . . . . 101 GLN N . 50172 1 337 . 1 . 1 101 101 TRP H H 1 8.006 0.005 . 1 . . . . . 102 TRP H . 50172 1 338 . 1 . 1 101 101 TRP HE1 H 1 10.013 0.005 . 1 . . . . . 102 TRP HE1 . 50172 1 339 . 1 . 1 101 101 TRP C C 13 177.711 0.026 . 1 . . . . . 102 TRP C . 50172 1 340 . 1 . 1 101 101 TRP CA C 13 63.406 0.041 . 1 . . . . . 102 TRP CA . 50172 1 341 . 1 . 1 101 101 TRP CB C 13 32.318 0.000 . 1 . . . . . 102 TRP CB . 50172 1 342 . 1 . 1 101 101 TRP N N 15 123.205 0.047 . 1 . . . . . 102 TRP N . 50172 1 343 . 1 . 1 101 101 TRP NE1 N 15 129.668 0.067 . 1 . . . . . 102 TRP NE1 . 50172 1 344 . 1 . 1 102 102 LEU H H 1 8.777 0.005 . 1 . . . . . 103 LEU H . 50172 1 345 . 1 . 1 102 102 LEU C C 13 178.186 0.018 . 1 . . . . . 103 LEU C . 50172 1 346 . 1 . 1 102 102 LEU CA C 13 60.963 0.068 . 1 . . . . . 103 LEU CA . 50172 1 347 . 1 . 1 102 102 LEU N N 15 118.737 0.058 . 1 . . . . . 103 LEU N . 50172 1 348 . 1 . 1 103 103 GLN H H 1 7.528 0.007 . 1 . . . . . 104 GLN H . 50172 1 349 . 1 . 1 103 103 GLN C C 13 177.528 0.019 . 1 . . . . . 104 GLN C . 50172 1 350 . 1 . 1 103 103 GLN CA C 13 61.705 0.044 . 1 . . . . . 104 GLN CA . 50172 1 351 . 1 . 1 103 103 GLN CB C 13 31.041 0.000 . 1 . . . . . 104 GLN CB . 50172 1 352 . 1 . 1 103 103 GLN N N 15 120.512 0.051 . 1 . . . . . 104 GLN N . 50172 1 353 . 1 . 1 104 104 GLU H H 1 7.972 0.009 . 1 . . . . . 105 GLU H . 50172 1 354 . 1 . 1 104 104 GLU C C 13 177.549 0.005 . 1 . . . . . 105 GLU C . 50172 1 355 . 1 . 1 104 104 GLU CA C 13 61.818 0.013 . 1 . . . . . 105 GLU CA . 50172 1 356 . 1 . 1 104 104 GLU N N 15 122.387 0.055 . 1 . . . . . 105 GLU N . 50172 1 357 . 1 . 1 105 105 ILE H H 1 8.057 0.007 . 1 . . . . . 106 ILE H . 50172 1 358 . 1 . 1 105 105 ILE C C 13 176.850 0.039 . 1 . . . . . 106 ILE C . 50172 1 359 . 1 . 1 105 105 ILE CA C 13 68.971 0.037 . 1 . . . . . 106 ILE CA . 50172 1 360 . 1 . 1 105 105 ILE N N 15 119.994 0.083 . 1 . . . . . 106 ILE N . 50172 1 361 . 1 . 1 106 106 ASP H H 1 7.757 0.004 . 1 . . . . . 107 ASP H . 50172 1 362 . 1 . 1 106 106 ASP C C 13 176.698 0.004 . 1 . . . . . 107 ASP C . 50172 1 363 . 1 . 1 106 106 ASP CA C 13 59.871 0.063 . 1 . . . . . 107 ASP CA . 50172 1 364 . 1 . 1 106 106 ASP CB C 13 40.732 0.061 . 1 . . . . . 107 ASP CB . 50172 1 365 . 1 . 1 106 106 ASP N N 15 119.727 0.010 . 1 . . . . . 107 ASP N . 50172 1 366 . 1 . 1 107 107 ARG H H 1 7.578 0.006 . 1 . . . . . 108 ARG H . 50172 1 367 . 1 . 1 107 107 ARG C C 13 176.947 0.013 . 1 . . . . . 108 ARG C . 50172 1 368 . 1 . 1 107 107 ARG CA C 13 61.358 0.091 . 1 . . . . . 108 ARG CA . 50172 1 369 . 1 . 1 107 107 ARG CB C 13 33.366 0.000 . 1 . . . . . 108 ARG CB . 50172 1 370 . 1 . 1 107 107 ARG N N 15 118.489 0.054 . 1 . . . . . 108 ARG N . 50172 1 371 . 1 . 1 108 108 TYR H H 1 7.729 0.008 . 1 . . . . . 109 TYR H . 50172 1 372 . 1 . 1 108 108 TYR C C 13 175.084 0.004 . 1 . . . . . 109 TYR C . 50172 1 373 . 1 . 1 108 108 TYR CA C 13 61.074 0.064 . 1 . . . . . 109 TYR CA . 50172 1 374 . 1 . 1 108 108 TYR N N 15 115.296 0.024 . 1 . . . . . 109 TYR N . 50172 1 375 . 1 . 1 109 109 ALA H H 1 8.802 0.007 . 1 . . . . . 110 ALA H . 50172 1 376 . 1 . 1 109 109 ALA C C 13 175.533 0.001 . 1 . . . . . 110 ALA C . 50172 1 377 . 1 . 1 109 109 ALA CA C 13 53.973 0.055 . 1 . . . . . 110 ALA CA . 50172 1 378 . 1 . 1 109 109 ALA CB C 13 24.615 0.000 . 1 . . . . . 110 ALA CB . 50172 1 379 . 1 . 1 109 109 ALA N N 15 122.056 0.043 . 1 . . . . . 110 ALA N . 50172 1 380 . 1 . 1 110 110 SER H H 1 8.834 0.008 . 1 . . . . . 111 SER H . 50172 1 381 . 1 . 1 110 110 SER C C 13 174.329 0.004 . 1 . . . . . 111 SER C . 50172 1 382 . 1 . 1 110 110 SER CA C 13 61.885 0.024 . 1 . . . . . 111 SER CA . 50172 1 383 . 1 . 1 110 110 SER CB C 13 66.801 0.031 . 1 . . . . . 111 SER CB . 50172 1 384 . 1 . 1 110 110 SER N N 15 116.175 0.057 . 1 . . . . . 111 SER N . 50172 1 385 . 1 . 1 111 111 GLU H H 1 9.056 0.013 . 1 . . . . . 112 GLU H . 50172 1 386 . 1 . 1 111 111 GLU C C 13 175.544 0.020 . 1 . . . . . 112 GLU C . 50172 1 387 . 1 . 1 111 111 GLU CA C 13 61.294 0.068 . 1 . . . . . 112 GLU CA . 50172 1 388 . 1 . 1 111 111 GLU CB C 13 32.183 0.000 . 1 . . . . . 112 GLU CB . 50172 1 389 . 1 . 1 111 111 GLU N N 15 124.785 0.056 . 1 . . . . . 112 GLU N . 50172 1 390 . 1 . 1 112 112 ASN H H 1 8.350 0.008 . 1 . . . . . 113 ASN H . 50172 1 391 . 1 . 1 112 112 ASN C C 13 172.868 0.024 . 1 . . . . . 113 ASN C . 50172 1 392 . 1 . 1 112 112 ASN CA C 13 55.519 0.027 . 1 . . . . . 113 ASN CA . 50172 1 393 . 1 . 1 112 112 ASN CB C 13 40.822 0.066 . 1 . . . . . 113 ASN CB . 50172 1 394 . 1 . 1 112 112 ASN N N 15 116.587 0.047 . 1 . . . . . 113 ASN N . 50172 1 395 . 1 . 1 113 113 VAL H H 1 7.044 0.008 . 1 . . . . . 114 VAL H . 50172 1 396 . 1 . 1 113 113 VAL C C 13 172.805 0.016 . 1 . . . . . 114 VAL C . 50172 1 397 . 1 . 1 113 113 VAL CA C 13 65.035 0.011 . 1 . . . . . 114 VAL CA . 50172 1 398 . 1 . 1 113 113 VAL CB C 13 34.704 0.041 . 1 . . . . . 114 VAL CB . 50172 1 399 . 1 . 1 113 113 VAL N N 15 120.359 0.054 . 1 . . . . . 114 VAL N . 50172 1 400 . 1 . 1 114 114 ASN H H 1 7.818 0.013 . 1 . . . . . 115 ASN H . 50172 1 401 . 1 . 1 114 114 ASN C C 13 173.239 0.020 . 1 . . . . . 115 ASN C . 50172 1 402 . 1 . 1 114 114 ASN CA C 13 58.532 0.086 . 1 . . . . . 115 ASN CA . 50172 1 403 . 1 . 1 114 114 ASN CB C 13 43.754 0.000 . 1 . . . . . 115 ASN CB . 50172 1 404 . 1 . 1 114 114 ASN N N 15 125.548 0.041 . 1 . . . . . 115 ASN N . 50172 1 405 . 1 . 1 115 115 LYS H H 1 8.406 0.008 . 1 . . . . . 116 LYS H . 50172 1 406 . 1 . 1 115 115 LYS C C 13 173.157 0.004 . 1 . . . . . 116 LYS C . 50172 1 407 . 1 . 1 115 115 LYS CA C 13 57.780 0.016 . 1 . . . . . 116 LYS CA . 50172 1 408 . 1 . 1 115 115 LYS N N 15 121.315 0.156 . 1 . . . . . 116 LYS N . 50172 1 409 . 1 . 1 116 116 LEU H H 1 7.736 0.009 . 1 . . . . . 117 LEU H . 50172 1 410 . 1 . 1 116 116 LEU C C 13 171.263 0.000 . 1 . . . . . 117 LEU C . 50172 1 411 . 1 . 1 116 116 LEU CA C 13 57.811 0.012 . 1 . . . . . 117 LEU CA . 50172 1 412 . 1 . 1 116 116 LEU CB C 13 42.636 0.000 . 1 . . . . . 117 LEU CB . 50172 1 413 . 1 . 1 116 116 LEU N N 15 121.736 0.056 . 1 . . . . . 117 LEU N . 50172 1 414 . 1 . 1 117 117 LEU H H 1 8.611 0.005 . 1 . . . . . 118 LEU H . 50172 1 415 . 1 . 1 117 117 LEU C C 13 172.239 0.000 . 1 . . . . . 118 LEU C . 50172 1 416 . 1 . 1 117 117 LEU CA C 13 56.242 0.051 . 1 . . . . . 118 LEU CA . 50172 1 417 . 1 . 1 117 117 LEU CB C 13 47.637 0.000 . 1 . . . . . 118 LEU CB . 50172 1 418 . 1 . 1 117 117 LEU N N 15 129.256 0.070 . 1 . . . . . 118 LEU N . 50172 1 419 . 1 . 1 118 118 VAL H H 1 9.281 0.008 . 1 . . . . . 119 VAL H . 50172 1 420 . 1 . 1 118 118 VAL C C 13 172.592 0.008 . 1 . . . . . 119 VAL C . 50172 1 421 . 1 . 1 118 118 VAL CA C 13 62.374 0.025 . 1 . . . . . 119 VAL CA . 50172 1 422 . 1 . 1 118 118 VAL N N 15 126.994 0.063 . 1 . . . . . 119 VAL N . 50172 1 423 . 1 . 1 119 119 GLY H H 1 8.194 0.005 . 1 . . . . . 120 GLY H . 50172 1 424 . 1 . 1 119 119 GLY C C 13 170.489 0.000 . 1 . . . . . 120 GLY C . 50172 1 425 . 1 . 1 119 119 GLY CA C 13 47.129 0.049 . 1 . . . . . 120 GLY CA . 50172 1 426 . 1 . 1 119 119 GLY N N 15 113.641 0.029 . 1 . . . . . 120 GLY N . 50172 1 427 . 1 . 1 120 120 ASN H H 1 9.078 0.006 . 1 . . . . . 121 ASN H . 50172 1 428 . 1 . 1 120 120 ASN C C 13 172.738 0.000 . 1 . . . . . 121 ASN C . 50172 1 429 . 1 . 1 120 120 ASN CA C 13 54.208 0.074 . 1 . . . . . 121 ASN CA . 50172 1 430 . 1 . 1 120 120 ASN CB C 13 44.250 0.000 . 1 . . . . . 121 ASN CB . 50172 1 431 . 1 . 1 120 120 ASN N N 15 124.398 0.045 . 1 . . . . . 121 ASN N . 50172 1 432 . 1 . 1 121 121 LYS H H 1 7.238 0.007 . 1 . . . . . 122 LYS H . 50172 1 433 . 1 . 1 121 121 LYS C C 13 176.365 0.040 . 1 . . . . . 122 LYS C . 50172 1 434 . 1 . 1 121 121 LYS CA C 13 60.231 0.023 . 1 . . . . . 122 LYS CA . 50172 1 435 . 1 . 1 121 121 LYS N N 15 113.083 0.036 . 1 . . . . . 122 LYS N . 50172 1 436 . 1 . 1 122 122 SER H H 1 8.958 0.011 . 1 . . . . . 123 SER H . 50172 1 437 . 1 . 1 122 122 SER C C 13 172.482 0.000 . 1 . . . . . 123 SER C . 50172 1 438 . 1 . 1 122 122 SER CA C 13 63.379 0.016 . 1 . . . . . 123 SER CA . 50172 1 439 . 1 . 1 122 122 SER CB C 13 65.802 0.000 . 1 . . . . . 123 SER CB . 50172 1 440 . 1 . 1 122 122 SER N N 15 115.104 0.035 . 1 . . . . . 123 SER N . 50172 1 441 . 1 . 1 123 123 ASP H H 1 8.509 0.004 . 1 . . . . . 124 ASP H . 50172 1 442 . 1 . 1 123 123 ASP C C 13 175.503 0.024 . 1 . . . . . 124 ASP C . 50172 1 443 . 1 . 1 123 123 ASP CA C 13 56.967 0.041 . 1 . . . . . 124 ASP CA . 50172 1 444 . 1 . 1 123 123 ASP CB C 13 43.806 0.000 . 1 . . . . . 124 ASP CB . 50172 1 445 . 1 . 1 123 123 ASP N N 15 117.224 0.068 . 1 . . . . . 124 ASP N . 50172 1 446 . 1 . 1 124 124 LEU H H 1 7.841 0.005 . 1 . . . . . 125 LEU H . 50172 1 447 . 1 . 1 124 124 LEU C C 13 177.206 0.027 . 1 . . . . . 125 LEU C . 50172 1 448 . 1 . 1 124 124 LEU CA C 13 55.546 0.065 . 1 . . . . . 125 LEU CA . 50172 1 449 . 1 . 1 124 124 LEU CB C 13 43.806 0.000 . 1 . . . . . 125 LEU CB . 50172 1 450 . 1 . 1 124 124 LEU N N 15 125.694 0.034 . 1 . . . . . 125 LEU N . 50172 1 451 . 1 . 1 125 125 THR H H 1 7.852 0.008 . 1 . . . . . 126 THR H . 50172 1 452 . 1 . 1 125 125 THR C C 13 176.235 0.000 . 1 . . . . . 126 THR C . 50172 1 453 . 1 . 1 125 125 THR CA C 13 68.569 0.102 . 1 . . . . . 126 THR CA . 50172 1 454 . 1 . 1 125 125 THR CB C 13 71.139 0.000 . 1 . . . . . 126 THR CB . 50172 1 455 . 1 . 1 125 125 THR N N 15 113.648 0.024 . 1 . . . . . 126 THR N . 50172 1 456 . 1 . 1 126 126 THR C C 13 173.893 0.000 . 1 . . . . . 127 THR C . 50172 1 457 . 1 . 1 126 126 THR CA C 13 66.134 0.000 . 1 . . . . . 127 THR CA . 50172 1 458 . 1 . 1 127 127 LYS H H 1 7.300 0.008 . 1 . . . . . 128 LYS H . 50172 1 459 . 1 . 1 127 127 LYS C C 13 173.743 0.003 . 1 . . . . . 128 LYS C . 50172 1 460 . 1 . 1 127 127 LYS CA C 13 57.364 0.008 . 1 . . . . . 128 LYS CA . 50172 1 461 . 1 . 1 127 127 LYS CB C 13 36.353 0.000 . 1 . . . . . 128 LYS CB . 50172 1 462 . 1 . 1 127 127 LYS N N 15 120.395 0.045 . 1 . . . . . 128 LYS N . 50172 1 463 . 1 . 1 128 128 LYS H H 1 7.029 0.007 . 1 . . . . . 129 LYS H . 50172 1 464 . 1 . 1 128 128 LYS C C 13 174.939 0.009 . 1 . . . . . 129 LYS C . 50172 1 465 . 1 . 1 128 128 LYS CA C 13 61.547 0.052 . 1 . . . . . 129 LYS CA . 50172 1 466 . 1 . 1 128 128 LYS CB C 13 36.206 0.000 . 1 . . . . . 129 LYS CB . 50172 1 467 . 1 . 1 128 128 LYS N N 15 122.477 0.041 . 1 . . . . . 129 LYS N . 50172 1 468 . 1 . 1 129 129 VAL H H 1 8.775 0.007 . 1 . . . . . 130 VAL H . 50172 1 469 . 1 . 1 129 129 VAL C C 13 173.905 0.011 . 1 . . . . . 130 VAL C . 50172 1 470 . 1 . 1 129 129 VAL CA C 13 63.943 0.048 . 1 . . . . . 130 VAL CA . 50172 1 471 . 1 . 1 129 129 VAL CB C 13 36.496 0.000 . 1 . . . . . 130 VAL CB . 50172 1 472 . 1 . 1 129 129 VAL N N 15 121.061 0.044 . 1 . . . . . 130 VAL N . 50172 1 473 . 1 . 1 130 130 VAL H H 1 7.567 0.009 . 1 . . . . . 131 VAL H . 50172 1 474 . 1 . 1 130 130 VAL C C 13 173.949 0.007 . 1 . . . . . 131 VAL C . 50172 1 475 . 1 . 1 130 130 VAL CA C 13 64.335 0.023 . 1 . . . . . 131 VAL CA . 50172 1 476 . 1 . 1 130 130 VAL CB C 13 34.346 0.000 . 1 . . . . . 131 VAL CB . 50172 1 477 . 1 . 1 130 130 VAL N N 15 124.629 0.058 . 1 . . . . . 131 VAL N . 50172 1 478 . 1 . 1 131 131 ASP H H 1 8.608 0.008 . 1 . . . . . 132 ASP H . 50172 1 479 . 1 . 1 131 131 ASP C C 13 175.238 0.000 . 1 . . . . . 132 ASP C . 50172 1 480 . 1 . 1 131 131 ASP CA C 13 57.377 0.042 . 1 . . . . . 132 ASP CA . 50172 1 481 . 1 . 1 131 131 ASP CB C 13 44.754 0.000 . 1 . . . . . 132 ASP CB . 50172 1 482 . 1 . 1 131 131 ASP N N 15 130.613 0.062 . 1 . . . . . 132 ASP N . 50172 1 483 . 1 . 1 133 133 THR H H 1 8.407 0.009 . 1 . . . . . 134 THR H . 50172 1 484 . 1 . 1 133 133 THR C C 13 175.193 0.009 . 1 . . . . . 134 THR C . 50172 1 485 . 1 . 1 133 133 THR CA C 13 68.850 0.015 . 1 . . . . . 134 THR CA . 50172 1 486 . 1 . 1 133 133 THR CB C 13 70.858 0.000 . 1 . . . . . 134 THR CB . 50172 1 487 . 1 . 1 133 133 THR N N 15 116.792 0.043 . 1 . . . . . 134 THR N . 50172 1 488 . 1 . 1 134 134 THR H H 1 7.389 0.008 . 1 . . . . . 135 THR H . 50172 1 489 . 1 . 1 134 134 THR C C 13 174.771 0.008 . 1 . . . . . 135 THR C . 50172 1 490 . 1 . 1 134 134 THR CA C 13 68.626 0.036 . 1 . . . . . 135 THR CA . 50172 1 491 . 1 . 1 134 134 THR CB C 13 71.507 0.000 . 1 . . . . . 135 THR CB . 50172 1 492 . 1 . 1 134 134 THR N N 15 121.330 0.036 . 1 . . . . . 135 THR N . 50172 1 493 . 1 . 1 135 135 ALA H H 1 7.210 0.007 . 1 . . . . . 136 ALA H . 50172 1 494 . 1 . 1 135 135 ALA C C 13 177.191 0.013 . 1 . . . . . 136 ALA C . 50172 1 495 . 1 . 1 135 135 ALA CA C 13 57.348 0.070 . 1 . . . . . 136 ALA CA . 50172 1 496 . 1 . 1 135 135 ALA CB C 13 22.916 0.000 . 1 . . . . . 136 ALA CB . 50172 1 497 . 1 . 1 135 135 ALA N N 15 126.295 0.066 . 1 . . . . . 136 ALA N . 50172 1 498 . 1 . 1 136 136 LYS H H 1 8.034 0.007 . 1 . . . . . 137 LYS H . 50172 1 499 . 1 . 1 136 136 LYS C C 13 176.819 0.012 . 1 . . . . . 137 LYS C . 50172 1 500 . 1 . 1 136 136 LYS CA C 13 61.969 0.057 . 1 . . . . . 137 LYS CA . 50172 1 501 . 1 . 1 136 136 LYS N N 15 119.233 0.107 . 1 . . . . . 137 LYS N . 50172 1 502 . 1 . 1 137 137 GLU H H 1 7.865 0.008 . 1 . . . . . 138 GLU H . 50172 1 503 . 1 . 1 137 137 GLU C C 13 178.489 0.014 . 1 . . . . . 138 GLU C . 50172 1 504 . 1 . 1 137 137 GLU CA C 13 62.341 0.033 . 1 . . . . . 138 GLU CA . 50172 1 505 . 1 . 1 137 137 GLU CB C 13 31.895 0.018 . 1 . . . . . 138 GLU CB . 50172 1 506 . 1 . 1 137 137 GLU N N 15 119.636 0.087 . 1 . . . . . 138 GLU N . 50172 1 507 . 1 . 1 138 138 PHE H H 1 7.815 0.008 . 1 . . . . . 139 PHE H . 50172 1 508 . 1 . 1 138 138 PHE C C 13 176.918 0.001 . 1 . . . . . 139 PHE C . 50172 1 509 . 1 . 1 138 138 PHE CA C 13 62.523 0.007 . 1 . . . . . 139 PHE CA . 50172 1 510 . 1 . 1 138 138 PHE CB C 13 41.641 0.000 . 1 . . . . . 139 PHE CB . 50172 1 511 . 1 . 1 138 138 PHE N N 15 122.872 0.015 . 1 . . . . . 139 PHE N . 50172 1 512 . 1 . 1 139 139 ALA H H 1 8.904 0.007 . 1 . . . . . 140 ALA H . 50172 1 513 . 1 . 1 139 139 ALA C C 13 179.056 0.026 . 1 . . . . . 140 ALA C . 50172 1 514 . 1 . 1 139 139 ALA CA C 13 58.746 0.035 . 1 . . . . . 140 ALA CA . 50172 1 515 . 1 . 1 139 139 ALA CB C 13 20.768 0.022 . 1 . . . . . 140 ALA CB . 50172 1 516 . 1 . 1 139 139 ALA N N 15 126.606 0.037 . 1 . . . . . 140 ALA N . 50172 1 517 . 1 . 1 140 140 ASP H H 1 9.355 0.007 . 1 . . . . . 141 ASP H . 50172 1 518 . 1 . 1 140 140 ASP C C 13 179.041 0.028 . 1 . . . . . 141 ASP C . 50172 1 519 . 1 . 1 140 140 ASP CA C 13 59.949 0.039 . 1 . . . . . 141 ASP CA . 50172 1 520 . 1 . 1 140 140 ASP CB C 13 42.381 0.013 . 1 . . . . . 141 ASP CB . 50172 1 521 . 1 . 1 140 140 ASP N N 15 119.772 0.058 . 1 . . . . . 141 ASP N . 50172 1 522 . 1 . 1 141 141 SER H H 1 8.020 0.008 . 1 . . . . . 142 SER H . 50172 1 523 . 1 . 1 141 141 SER C C 13 173.807 0.000 . 1 . . . . . 142 SER C . 50172 1 524 . 1 . 1 141 141 SER CB C 13 65.277 0.000 . 1 . . . . . 142 SER CB . 50172 1 525 . 1 . 1 141 141 SER N N 15 119.291 0.063 . 1 . . . . . 142 SER N . 50172 1 526 . 1 . 1 142 142 LEU H H 1 7.182 0.006 . 1 . . . . . 143 LEU H . 50172 1 527 . 1 . 1 142 142 LEU C C 13 176.120 0.022 . 1 . . . . . 143 LEU C . 50172 1 528 . 1 . 1 142 142 LEU CA C 13 57.110 0.029 . 1 . . . . . 143 LEU CA . 50172 1 529 . 1 . 1 142 142 LEU CB C 13 46.152 0.000 . 1 . . . . . 143 LEU CB . 50172 1 530 . 1 . 1 142 142 LEU N N 15 122.729 0.059 . 1 . . . . . 143 LEU N . 50172 1 531 . 1 . 1 143 143 GLY H H 1 8.011 0.005 . 1 . . . . . 144 GLY H . 50172 1 532 . 1 . 1 143 143 GLY C C 13 173.594 0.005 . 1 . . . . . 144 GLY C . 50172 1 533 . 1 . 1 143 143 GLY CA C 13 48.934 0.024 . 1 . . . . . 144 GLY CA . 50172 1 534 . 1 . 1 143 143 GLY N N 15 111.004 0.076 . 1 . . . . . 144 GLY N . 50172 1 535 . 1 . 1 144 144 ILE H H 1 7.845 0.007 . 1 . . . . . 145 ILE H . 50172 1 536 . 1 . 1 144 144 ILE C C 13 171.504 0.000 . 1 . . . . . 145 ILE C . 50172 1 537 . 1 . 1 144 144 ILE CA C 13 60.591 0.095 . 1 . . . . . 145 ILE CA . 50172 1 538 . 1 . 1 144 144 ILE CB C 13 42.372 0.000 . 1 . . . . . 145 ILE CB . 50172 1 539 . 1 . 1 144 144 ILE N N 15 117.836 0.055 . 1 . . . . . 145 ILE N . 50172 1 540 . 1 . 1 145 145 PRO C C 13 172.797 0.000 . 1 . . . . . 146 PRO C . 50172 1 541 . 1 . 1 145 145 PRO CA C 13 65.137 0.003 . 1 . . . . . 146 PRO CA . 50172 1 542 . 1 . 1 145 145 PRO CB C 13 34.170 0.000 . 1 . . . . . 146 PRO CB . 50172 1 543 . 1 . 1 146 146 PHE H H 1 7.885 0.007 . 1 . . . . . 147 PHE H . 50172 1 544 . 1 . 1 146 146 PHE C C 13 173.374 0.000 . 1 . . . . . 147 PHE C . 50172 1 545 . 1 . 1 146 146 PHE CA C 13 57.908 0.020 . 1 . . . . . 147 PHE CA . 50172 1 546 . 1 . 1 146 146 PHE CB C 13 46.218 0.000 . 1 . . . . . 147 PHE CB . 50172 1 547 . 1 . 1 146 146 PHE N N 15 121.074 0.092 . 1 . . . . . 147 PHE N . 50172 1 548 . 1 . 1 147 147 LEU H H 1 8.020 0.008 . 1 . . . . . 148 LEU H . 50172 1 549 . 1 . 1 147 147 LEU C C 13 172.144 0.033 . 1 . . . . . 148 LEU C . 50172 1 550 . 1 . 1 147 147 LEU CA C 13 57.263 0.065 . 1 . . . . . 148 LEU CA . 50172 1 551 . 1 . 1 147 147 LEU CB C 13 49.556 0.000 . 1 . . . . . 148 LEU CB . 50172 1 552 . 1 . 1 147 147 LEU N N 15 129.481 0.064 . 1 . . . . . 148 LEU N . 50172 1 553 . 1 . 1 148 148 GLU H H 1 8.009 0.009 . 1 . . . . . 149 GLU H . 50172 1 554 . 1 . 1 148 148 GLU C C 13 176.159 0.004 . 1 . . . . . 149 GLU C . 50172 1 555 . 1 . 1 148 148 GLU CA C 13 56.922 0.091 . 1 . . . . . 149 GLU CA . 50172 1 556 . 1 . 1 148 148 GLU CB C 13 34.945 0.000 . 1 . . . . . 149 GLU CB . 50172 1 557 . 1 . 1 148 148 GLU N N 15 118.502 0.038 . 1 . . . . . 149 GLU N . 50172 1 558 . 1 . 1 149 149 THR H H 1 9.286 0.010 . 1 . . . . . 150 THR H . 50172 1 559 . 1 . 1 149 149 THR C C 13 173.855 0.015 . 1 . . . . . 150 THR C . 50172 1 560 . 1 . 1 149 149 THR CA C 13 62.643 0.072 . 1 . . . . . 150 THR CA . 50172 1 561 . 1 . 1 149 149 THR CB C 13 76.264 0.000 . 1 . . . . . 150 THR CB . 50172 1 562 . 1 . 1 149 149 THR N N 15 114.720 0.090 . 1 . . . . . 150 THR N . 50172 1 563 . 1 . 1 150 150 SER H H 1 8.193 0.005 . 1 . . . . . 151 SER H . 50172 1 564 . 1 . 1 150 150 SER C C 13 174.461 0.028 . 1 . . . . . 151 SER C . 50172 1 565 . 1 . 1 150 150 SER CA C 13 59.433 0.021 . 1 . . . . . 151 SER CA . 50172 1 566 . 1 . 1 150 150 SER CB C 13 67.077 0.000 . 1 . . . . . 151 SER CB . 50172 1 567 . 1 . 1 150 150 SER N N 15 112.566 0.056 . 1 . . . . . 151 SER N . 50172 1 568 . 1 . 1 151 151 ALA H H 1 9.098 0.002 . 1 . . . . . 152 ALA H . 50172 1 569 . 1 . 1 151 151 ALA C C 13 176.740 0.000 . 1 . . . . . 152 ALA C . 50172 1 570 . 1 . 1 151 151 ALA CA C 13 58.626 0.014 . 1 . . . . . 152 ALA CA . 50172 1 571 . 1 . 1 151 151 ALA N N 15 114.511 8.972 . 1 . . . . . 152 ALA N . 50172 1 572 . 1 . 1 152 152 LYS H H 1 7.016 0.006 . 1 . . . . . 153 LYS H . 50172 1 573 . 1 . 1 152 152 LYS C C 13 175.369 0.017 . 1 . . . . . 153 LYS C . 50172 1 574 . 1 . 1 152 152 LYS CA C 13 61.394 0.023 . 1 . . . . . 153 LYS CA . 50172 1 575 . 1 . 1 152 152 LYS N N 15 118.935 0.026 . 1 . . . . . 153 LYS N . 50172 1 576 . 1 . 1 153 153 ASN H H 1 7.922 0.005 . 1 . . . . . 154 ASN H . 50172 1 577 . 1 . 1 153 153 ASN C C 13 173.769 0.002 . 1 . . . . . 154 ASN C . 50172 1 578 . 1 . 1 153 153 ASN CA C 13 54.819 0.040 . 1 . . . . . 154 ASN CA . 50172 1 579 . 1 . 1 153 153 ASN CB C 13 40.771 0.000 . 1 . . . . . 154 ASN CB . 50172 1 580 . 1 . 1 153 153 ASN N N 15 115.306 0.081 . 1 . . . . . 154 ASN N . 50172 1 581 . 1 . 1 154 154 ALA H H 1 7.750 0.007 . 1 . . . . . 155 ALA H . 50172 1 582 . 1 . 1 154 154 ALA C C 13 174.950 0.005 . 1 . . . . . 155 ALA C . 50172 1 583 . 1 . 1 154 154 ALA CA C 13 57.672 0.067 . 1 . . . . . 155 ALA CA . 50172 1 584 . 1 . 1 154 154 ALA CB C 13 19.985 0.000 . 1 . . . . . 155 ALA CB . 50172 1 585 . 1 . 1 154 154 ALA N N 15 119.923 0.059 . 1 . . . . . 155 ALA N . 50172 1 586 . 1 . 1 155 155 THR H H 1 8.144 0.011 . 1 . . . . . 156 THR H . 50172 1 587 . 1 . 1 155 155 THR C C 13 173.599 0.010 . 1 . . . . . 156 THR C . 50172 1 588 . 1 . 1 155 155 THR CA C 13 67.049 0.082 . 1 . . . . . 156 THR CA . 50172 1 589 . 1 . 1 155 155 THR CB C 13 71.610 0.000 . 1 . . . . . 156 THR CB . 50172 1 590 . 1 . 1 155 155 THR N N 15 118.617 0.053 . 1 . . . . . 156 THR N . 50172 1 591 . 1 . 1 156 156 ASN H H 1 9.360 0.010 . 1 . . . . . 157 ASN H . 50172 1 592 . 1 . 1 156 156 ASN C C 13 173.155 0.001 . 1 . . . . . 157 ASN C . 50172 1 593 . 1 . 1 156 156 ASN CA C 13 57.051 0.012 . 1 . . . . . 157 ASN CA . 50172 1 594 . 1 . 1 156 156 ASN CB C 13 39.714 0.000 . 1 . . . . . 157 ASN CB . 50172 1 595 . 1 . 1 156 156 ASN N N 15 122.064 0.068 . 1 . . . . . 157 ASN N . 50172 1 596 . 1 . 1 157 157 VAL H H 1 7.633 0.008 . 1 . . . . . 158 VAL H . 50172 1 597 . 1 . 1 157 157 VAL C C 13 175.751 0.007 . 1 . . . . . 158 VAL C . 50172 1 598 . 1 . 1 157 157 VAL CA C 13 71.078 0.058 . 1 . . . . . 158 VAL CA . 50172 1 599 . 1 . 1 157 157 VAL CB C 13 33.453 0.000 . 1 . . . . . 158 VAL CB . 50172 1 600 . 1 . 1 157 157 VAL N N 15 123.010 0.045 . 1 . . . . . 158 VAL N . 50172 1 601 . 1 . 1 158 158 GLU H H 1 8.721 0.007 . 1 . . . . . 159 GLU H . 50172 1 602 . 1 . 1 158 158 GLU C C 13 177.489 0.030 . 1 . . . . . 159 GLU C . 50172 1 603 . 1 . 1 158 158 GLU CA C 13 63.241 0.021 . 1 . . . . . 159 GLU CA . 50172 1 604 . 1 . 1 158 158 GLU CB C 13 32.013 0.051 . 1 . . . . . 159 GLU CB . 50172 1 605 . 1 . 1 158 158 GLU N N 15 120.651 0.076 . 1 . . . . . 159 GLU N . 50172 1 606 . 1 . 1 159 159 GLN H H 1 8.485 0.006 . 1 . . . . . 160 GLN H . 50172 1 607 . 1 . 1 159 159 GLN C C 13 177.075 0.024 . 1 . . . . . 160 GLN C . 50172 1 608 . 1 . 1 159 159 GLN CA C 13 61.818 0.033 . 1 . . . . . 160 GLN CA . 50172 1 609 . 1 . 1 159 159 GLN CB C 13 30.338 0.000 . 1 . . . . . 160 GLN CB . 50172 1 610 . 1 . 1 159 159 GLN N N 15 117.865 0.031 . 1 . . . . . 160 GLN N . 50172 1 611 . 1 . 1 160 160 ALA H H 1 8.170 0.006 . 1 . . . . . 161 ALA H . 50172 1 612 . 1 . 1 160 160 ALA C C 13 176.492 0.016 . 1 . . . . . 161 ALA C . 50172 1 613 . 1 . 1 160 160 ALA CA C 13 58.483 0.024 . 1 . . . . . 161 ALA CA . 50172 1 614 . 1 . 1 160 160 ALA CB C 13 19.597 0.000 . 1 . . . . . 161 ALA CB . 50172 1 615 . 1 . 1 160 160 ALA N N 15 125.672 0.053 . 1 . . . . . 161 ALA N . 50172 1 616 . 1 . 1 161 161 PHE H H 1 6.943 0.009 . 1 . . . . . 162 PHE H . 50172 1 617 . 1 . 1 161 161 PHE C C 13 176.913 0.000 . 1 . . . . . 162 PHE C . 50172 1 618 . 1 . 1 161 161 PHE CA C 13 65.512 0.003 . 1 . . . . . 162 PHE CA . 50172 1 619 . 1 . 1 161 161 PHE N N 15 115.079 0.043 . 1 . . . . . 162 PHE N . 50172 1 620 . 1 . 1 162 162 MET H H 1 8.828 0.008 . 1 . . . . . 163 MET H . 50172 1 621 . 1 . 1 162 162 MET C C 13 177.894 0.014 . 1 . . . . . 163 MET C . 50172 1 622 . 1 . 1 162 162 MET CA C 13 60.847 0.032 . 1 . . . . . 163 MET CA . 50172 1 623 . 1 . 1 162 162 MET CB C 13 34.001 0.000 . 1 . . . . . 163 MET CB . 50172 1 624 . 1 . 1 162 162 MET N N 15 118.808 0.069 . 1 . . . . . 163 MET N . 50172 1 625 . 1 . 1 163 163 THR H H 1 8.619 0.011 . 1 . . . . . 164 THR H . 50172 1 626 . 1 . 1 163 163 THR C C 13 174.578 0.000 . 1 . . . . . 164 THR C . 50172 1 627 . 1 . 1 163 163 THR CA C 13 69.755 0.047 . 1 . . . . . 164 THR CA . 50172 1 628 . 1 . 1 163 163 THR CB C 13 71.140 0.000 . 1 . . . . . 164 THR CB . 50172 1 629 . 1 . 1 163 163 THR N N 15 119.450 0.041 . 1 . . . . . 164 THR N . 50172 1 630 . 1 . 1 164 164 MET H H 1 7.469 0.009 . 1 . . . . . 165 MET H . 50172 1 631 . 1 . 1 164 164 MET C C 13 175.630 0.010 . 1 . . . . . 165 MET C . 50172 1 632 . 1 . 1 164 164 MET CA C 13 60.820 0.020 . 1 . . . . . 165 MET CA . 50172 1 633 . 1 . 1 164 164 MET N N 15 120.940 0.073 . 1 . . . . . 165 MET N . 50172 1 634 . 1 . 1 165 165 ALA H H 1 8.411 0.008 . 1 . . . . . 166 ALA H . 50172 1 635 . 1 . 1 165 165 ALA C C 13 176.780 0.009 . 1 . . . . . 166 ALA C . 50172 1 636 . 1 . 1 165 165 ALA CA C 13 58.351 0.001 . 1 . . . . . 166 ALA CA . 50172 1 637 . 1 . 1 165 165 ALA CB C 13 21.421 0.000 . 1 . . . . . 166 ALA CB . 50172 1 638 . 1 . 1 165 165 ALA N N 15 120.897 0.052 . 1 . . . . . 166 ALA N . 50172 1 639 . 1 . 1 166 166 ALA H H 1 8.411 0.007 . 1 . . . . . 167 ALA H . 50172 1 640 . 1 . 1 166 166 ALA C C 13 179.568 0.029 . 1 . . . . . 167 ALA C . 50172 1 641 . 1 . 1 166 166 ALA CA C 13 57.853 0.012 . 1 . . . . . 167 ALA CA . 50172 1 642 . 1 . 1 166 166 ALA CB C 13 21.389 0.000 . 1 . . . . . 167 ALA CB . 50172 1 643 . 1 . 1 166 166 ALA N N 15 120.684 0.066 . 1 . . . . . 167 ALA N . 50172 1 644 . 1 . 1 167 167 GLU H H 1 8.176 0.008 . 1 . . . . . 168 GLU H . 50172 1 645 . 1 . 1 167 167 GLU C C 13 178.003 0.011 . 1 . . . . . 168 GLU C . 50172 1 646 . 1 . 1 167 167 GLU CA C 13 61.768 0.033 . 1 . . . . . 168 GLU CA . 50172 1 647 . 1 . 1 167 167 GLU CB C 13 32.121 0.000 . 1 . . . . . 168 GLU CB . 50172 1 648 . 1 . 1 167 167 GLU N N 15 120.417 0.053 . 1 . . . . . 168 GLU N . 50172 1 649 . 1 . 1 168 168 ILE H H 1 7.939 0.008 . 1 . . . . . 169 ILE H . 50172 1 650 . 1 . 1 168 168 ILE C C 13 176.856 0.018 . 1 . . . . . 169 ILE C . 50172 1 651 . 1 . 1 168 168 ILE CA C 13 67.253 0.022 . 1 . . . . . 169 ILE CA . 50172 1 652 . 1 . 1 168 168 ILE CB C 13 41.294 0.000 . 1 . . . . . 169 ILE CB . 50172 1 653 . 1 . 1 168 168 ILE N N 15 122.181 0.086 . 1 . . . . . 169 ILE N . 50172 1 654 . 1 . 1 169 169 LYS H H 1 8.243 0.008 . 1 . . . . . 170 LYS H . 50172 1 655 . 1 . 1 169 169 LYS C C 13 177.107 0.005 . 1 . . . . . 170 LYS C . 50172 1 656 . 1 . 1 169 169 LYS CA C 13 62.807 0.064 . 1 . . . . . 170 LYS CA . 50172 1 657 . 1 . 1 169 169 LYS CB C 13 34.893 0.000 . 1 . . . . . 170 LYS CB . 50172 1 658 . 1 . 1 169 169 LYS N N 15 120.532 0.056 . 1 . . . . . 170 LYS N . 50172 1 659 . 1 . 1 170 170 LYS H H 1 7.719 0.009 . 1 . . . . . 171 LYS H . 50172 1 660 . 1 . 1 170 170 LYS C C 13 176.707 0.005 . 1 . . . . . 171 LYS C . 50172 1 661 . 1 . 1 170 170 LYS CB C 13 35.304 0.000 . 1 . . . . . 171 LYS CB . 50172 1 662 . 1 . 1 170 170 LYS N N 15 119.052 0.073 . 1 . . . . . 171 LYS N . 50172 1 663 . 1 . 1 171 171 ARG H H 1 7.485 0.006 . 1 . . . . . 172 ARG H . 50172 1 664 . 1 . 1 171 171 ARG C C 13 176.133 0.017 . 1 . . . . . 172 ARG C . 50172 1 665 . 1 . 1 171 171 ARG CA C 13 60.039 0.007 . 1 . . . . . 172 ARG CA . 50172 1 666 . 1 . 1 171 171 ARG CB C 13 33.252 0.000 . 1 . . . . . 172 ARG CB . 50172 1 667 . 1 . 1 171 171 ARG N N 15 118.467 0.055 . 1 . . . . . 172 ARG N . 50172 1 668 . 1 . 1 172 172 MET H H 1 8.062 0.012 . 1 . . . . . 173 MET H . 50172 1 669 . 1 . 1 172 172 MET C C 13 175.250 0.024 . 1 . . . . . 173 MET C . 50172 1 670 . 1 . 1 172 172 MET CA C 13 58.638 0.021 . 1 . . . . . 173 MET CA . 50172 1 671 . 1 . 1 172 172 MET CB C 13 44.442 0.000 . 1 . . . . . 173 MET CB . 50172 1 672 . 1 . 1 172 172 MET N N 15 119.338 0.056 . 1 . . . . . 173 MET N . 50172 1 673 . 1 . 1 173 173 GLY H H 1 7.897 0.004 . 1 . . . . . 174 GLY H . 50172 1 674 . 1 . 1 173 173 GLY C C 13 177.948 0.000 . 1 . . . . . 174 GLY C . 50172 1 675 . 1 . 1 173 173 GLY CA C 13 49.138 0.016 . 1 . . . . . 174 GLY CA . 50172 1 676 . 1 . 1 173 173 GLY N N 15 115.142 0.056 . 1 . . . . . 174 GLY N . 50172 1 stop_ save_