################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27869 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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' . . . 27869 1 2 '2D 1H-13C HSQC' . . . 27869 1 3 '2D 1H-1H NOESY' . . . 27869 1 10 '3D HCCH-TOCSY' . . . 27869 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 GLU HA H 1 4.389 0.000 . 1 . . . . . 2 GLU HA . 27869 1 2 . 1 1 2 2 GLU HB2 H 1 1.959 0.000 . 2 . . . . . 2 GLU HB2 . 27869 1 3 . 1 1 2 2 GLU HB3 H 1 2.084 0.000 . 2 . . . . . 2 GLU HB3 . 27869 1 4 . 1 1 2 2 GLU HG2 H 1 2.088 0.000 . 2 . . . . . 2 GLU HG2 . 27869 1 5 . 1 1 2 2 GLU HG3 H 1 2.271 0.000 . 2 . . . . . 2 GLU HG3 . 27869 1 6 . 1 1 2 2 GLU C C 13 175.904 0.039 . 1 . . . . . 2 GLU C . 27869 1 7 . 1 1 2 2 GLU CA C 13 56.445 0.038 . 1 . . . . . 2 GLU CA . 27869 1 8 . 1 1 2 2 GLU CB C 13 30.362 0.076 . 1 . . . . . 2 GLU CB . 27869 1 9 . 1 1 2 2 GLU CG C 13 36.014 0.048 . 1 . . . . . 2 GLU CG . 27869 1 10 . 1 1 3 3 VAL H H 1 8.239 0.004 . 1 . . . . . 3 VAL HN . 27869 1 11 . 1 1 3 3 VAL HA H 1 4.382 0.002 . 1 . . . . . 3 VAL HA . 27869 1 12 . 1 1 3 3 VAL HB H 1 1.812 0.002 . 1 . . . . . 3 VAL HB . 27869 1 13 . 1 1 3 3 VAL HG11 H 1 0.960 0.004 . 1 . . . . . 3 VAL QG1 . 27869 1 14 . 1 1 3 3 VAL HG12 H 1 0.960 0.004 . 1 . . . . . 3 VAL QG1 . 27869 1 15 . 1 1 3 3 VAL HG13 H 1 0.960 0.004 . 1 . . . . . 3 VAL QG1 . 27869 1 16 . 1 1 3 3 VAL HG21 H 1 0.961 0.003 . 1 . . . . . 3 VAL QG2 . 27869 1 17 . 1 1 3 3 VAL HG22 H 1 0.961 0.003 . 1 . . . . . 3 VAL QG2 . 27869 1 18 . 1 1 3 3 VAL HG23 H 1 0.961 0.003 . 1 . . . . . 3 VAL QG2 . 27869 1 19 . 1 1 3 3 VAL C C 13 176.185 0.015 . 1 . . . . . 3 VAL C . 27869 1 20 . 1 1 3 3 VAL CA C 13 61.920 0.018 . 1 . . . . . 3 VAL CA . 27869 1 21 . 1 1 3 3 VAL CB C 13 32.582 0.024 . 1 . . . . . 3 VAL CB . 27869 1 22 . 1 1 3 3 VAL CG1 C 13 21.599 0.020 . 2 . . . . . 3 VAL CG1 . 27869 1 23 . 1 1 3 3 VAL CG2 C 13 21.599 0.022 . 2 . . . . . 3 VAL CG2 . 27869 1 24 . 1 1 3 3 VAL N N 15 123.965 0.034 . 1 . . . . . 3 VAL N . 27869 1 25 . 1 1 4 4 THR H H 1 9.574 0.001 . 1 . . . . . 4 THR HN . 27869 1 26 . 1 1 4 4 THR HA H 1 5.159 0.000 . 1 . . . . . 4 THR HA . 27869 1 27 . 1 1 4 4 THR HB H 1 4.582 0.005 . 1 . . . . . 4 THR HB . 27869 1 28 . 1 1 4 4 THR C C 13 175.085 0.028 . 1 . . . . . 4 THR C . 27869 1 29 . 1 1 4 4 THR CA C 13 58.810 0.027 . 1 . . . . . 4 THR CA . 27869 1 30 . 1 1 4 4 THR CB C 13 72.409 0.101 . 1 . . . . . 4 THR CB . 27869 1 31 . 1 1 4 4 THR N N 15 116.174 0.035 . 1 . . . . . 4 THR N . 27869 1 32 . 1 1 5 5 TYR H H 1 9.312 0.003 . 1 . . . . . 5 TYR HN . 27869 1 33 . 1 1 5 5 TYR HA H 1 3.470 0.006 . 1 . . . . . 5 TYR HA . 27869 1 34 . 1 1 5 5 TYR HB2 H 1 3.431 0.002 . 2 . . . . . 5 TYR HB2 . 27869 1 35 . 1 1 5 5 TYR C C 13 176.265 0.033 . 1 . . . . . 5 TYR C . 27869 1 36 . 1 1 5 5 TYR CA C 13 60.871 0.040 . 1 . . . . . 5 TYR CA . 27869 1 37 . 1 1 5 5 TYR CB C 13 39.284 0.017 . 1 . . . . . 5 TYR CB . 27869 1 38 . 1 1 5 5 TYR N N 15 123.802 0.047 . 1 . . . . . 5 TYR N . 27869 1 39 . 1 1 6 6 ARG H H 1 8.234 0.004 . 1 . . . . . 6 ARG HN . 27869 1 40 . 1 1 6 6 ARG HA H 1 3.367 0.003 . 1 . . . . . 6 ARG HA . 27869 1 41 . 1 1 6 6 ARG HB2 H 1 1.676 0.004 . 2 . . . . . 6 ARG HB2 . 27869 1 42 . 1 1 6 6 ARG HD2 H 1 2.925 0.003 . 2 . . . . . 6 ARG HD2 . 27869 1 43 . 1 1 6 6 ARG HD3 H 1 2.971 0.002 . 2 . . . . . 6 ARG HD3 . 27869 1 44 . 1 1 6 6 ARG C C 13 177.165 0.018 . 1 . . . . . 6 ARG C . 27869 1 45 . 1 1 6 6 ARG CA C 13 59.289 0.021 . 1 . . . . . 6 ARG CA . 27869 1 46 . 1 1 6 6 ARG CB C 13 31.541 0.076 . 1 . . . . . 6 ARG CB . 27869 1 47 . 1 1 6 6 ARG CG C 13 26.299 0.021 . 1 . . . . . 6 ARG CG . 27869 1 48 . 1 1 6 6 ARG CD C 13 43.603 0.009 . 1 . . . . . 6 ARG CD . 27869 1 49 . 1 1 6 6 ARG N N 15 114.834 0.027 . 1 . . . . . 6 ARG N . 27869 1 50 . 1 1 7 7 LYS H H 1 7.245 0.004 . 1 . . . . . 7 LYS HN . 27869 1 51 . 1 1 7 7 LYS HA H 1 4.042 0.003 . 1 . . . . . 7 LYS HA . 27869 1 52 . 1 1 7 7 LYS HB2 H 1 1.486 0.002 . 2 . . . . . 7 LYS HB2 . 27869 1 53 . 1 1 7 7 LYS HB3 H 1 1.882 0.003 . 2 . . . . . 7 LYS HB3 . 27869 1 54 . 1 1 7 7 LYS HG2 H 1 1.235 0.002 . 2 . . . . . 7 LYS HG2 . 27869 1 55 . 1 1 7 7 LYS HG3 H 1 1.321 0.002 . 2 . . . . . 7 LYS HG3 . 27869 1 56 . 1 1 7 7 LYS HD2 H 1 1.633 0.002 . 2 . . . . . 7 LYS HD2 . 27869 1 57 . 1 1 7 7 LYS HD3 H 1 1.753 0.003 . 2 . . . . . 7 LYS HD3 . 27869 1 58 . 1 1 7 7 LYS HE2 H 1 3.020 0.003 . 2 . . . . . 7 LYS HE2 . 27869 1 59 . 1 1 7 7 LYS C C 13 176.110 0.009 . 1 . . . . . 7 LYS C . 27869 1 60 . 1 1 7 7 LYS CA C 13 57.267 0.045 . 1 . . . . . 7 LYS CA . 27869 1 61 . 1 1 7 7 LYS CB C 13 32.665 0.062 . 1 . . . . . 7 LYS CB . 27869 1 62 . 1 1 7 7 LYS CG C 13 23.792 0.026 . 1 . . . . . 7 LYS CG . 27869 1 63 . 1 1 7 7 LYS CD C 13 28.741 0.043 . 1 . . . . . 7 LYS CD . 27869 1 64 . 1 1 7 7 LYS CE C 13 40.900 0.047 . 1 . . . . . 7 LYS CE . 27869 1 65 . 1 1 7 7 LYS N N 15 113.270 0.058 . 1 . . . . . 7 LYS N . 27869 1 66 . 1 1 8 8 ASP H H 1 7.396 0.003 . 1 . . . . . 8 ASP HN . 27869 1 67 . 1 1 8 8 ASP HA H 1 4.726 0.001 . 1 . . . . . 8 ASP HA . 27869 1 68 . 1 1 8 8 ASP HB2 H 1 2.284 0.003 . 2 . . . . . 8 ASP HB2 . 27869 1 69 . 1 1 8 8 ASP HB3 H 1 2.668 0.002 . 2 . . . . . 8 ASP HB3 . 27869 1 70 . 1 1 8 8 ASP C C 13 176.007 0.028 . 1 . . . . . 8 ASP C . 27869 1 71 . 1 1 8 8 ASP CA C 13 55.133 0.046 . 1 . . . . . 8 ASP CA . 27869 1 72 . 1 1 8 8 ASP CB C 13 44.401 0.047 . 1 . . . . . 8 ASP CB . 27869 1 73 . 1 1 8 8 ASP N N 15 113.900 0.010 . 1 . . . . . 8 ASP N . 27869 1 74 . 1 1 9 9 ILE H H 1 7.007 0.004 . 1 . . . . . 9 ILE HN . 27869 1 75 . 1 1 9 9 ILE HA H 1 3.243 0.002 . 1 . . . . . 9 ILE HA . 27869 1 76 . 1 1 9 9 ILE HB H 1 1.324 0.003 . 1 . . . . . 9 ILE HB . 27869 1 77 . 1 1 9 9 ILE HG12 H 1 -0.673 0.002 . 2 . . . . . 9 ILE HG12 . 27869 1 78 . 1 1 9 9 ILE HG13 H 1 0.385 0.002 . 2 . . . . . 9 ILE HG13 . 27869 1 79 . 1 1 9 9 ILE HG21 H 1 -0.286 0.001 . 1 . . . . . 9 ILE QG2 . 27869 1 80 . 1 1 9 9 ILE HG22 H 1 -0.286 0.001 . 1 . . . . . 9 ILE QG2 . 27869 1 81 . 1 1 9 9 ILE HG23 H 1 -0.286 0.001 . 1 . . . . . 9 ILE QG2 . 27869 1 82 . 1 1 9 9 ILE HD11 H 1 -0.682 0.002 . 1 . . . . . 9 ILE QD1 . 27869 1 83 . 1 1 9 9 ILE HD12 H 1 -0.682 0.002 . 1 . . . . . 9 ILE QD1 . 27869 1 84 . 1 1 9 9 ILE HD13 H 1 -0.682 0.002 . 1 . . . . . 9 ILE QD1 . 27869 1 85 . 1 1 9 9 ILE C C 13 176.573 0.018 . 1 . . . . . 9 ILE C . 27869 1 86 . 1 1 9 9 ILE CA C 13 59.573 0.056 . 1 . . . . . 9 ILE CA . 27869 1 87 . 1 1 9 9 ILE CB C 13 34.717 0.092 . 1 . . . . . 9 ILE CB . 27869 1 88 . 1 1 9 9 ILE CG1 C 13 23.289 0.031 . 1 . . . . . 9 ILE CG1 . 27869 1 89 . 1 1 9 9 ILE CG2 C 13 15.816 0.032 . 1 . . . . . 9 ILE CG2 . 27869 1 90 . 1 1 9 9 ILE CD1 C 13 6.956 0.117 . 1 . . . . . 9 ILE CD1 . 27869 1 91 . 1 1 9 9 ILE N N 15 118.301 0.035 . 1 . . . . . 9 ILE N . 27869 1 92 . 1 1 10 10 LYS H H 1 8.526 0.005 . 1 . . . . . 10 LYS HN . 27869 1 93 . 1 1 10 10 LYS HA H 1 3.570 0.002 . 1 . . . . . 10 LYS HA . 27869 1 94 . 1 1 10 10 LYS HB2 H 1 0.663 0.004 . 2 . . . . . 10 LYS HB2 . 27869 1 95 . 1 1 10 10 LYS HB3 H 1 1.576 0.000 . 2 . . . . . 10 LYS HB3 . 27869 1 96 . 1 1 10 10 LYS HG2 H 1 1.251 0.003 . 2 . . . . . 10 LYS HG2 . 27869 1 97 . 1 1 10 10 LYS HG3 H 1 1.394 0.003 . 2 . . . . . 10 LYS HG3 . 27869 1 98 . 1 1 10 10 LYS HD2 H 1 0.998 0.000 . 2 . . . . . 10 LYS HD2 . 27869 1 99 . 1 1 10 10 LYS HD3 H 1 1.084 0.004 . 2 . . . . . 10 LYS HD3 . 27869 1 100 . 1 1 10 10 LYS HE2 H 1 3.199 0.003 . 2 . . . . . 10 LYS HE2 . 27869 1 101 . 1 1 10 10 LYS HE3 H 1 3.272 0.001 . 2 . . . . . 10 LYS HE3 . 27869 1 102 . 1 1 10 10 LYS C C 13 173.914 0.000 . 1 . . . . . 10 LYS C . 27869 1 103 . 1 1 10 10 LYS CA C 13 61.084 0.058 . 1 . . . . . 10 LYS CA . 27869 1 104 . 1 1 10 10 LYS CB C 13 29.332 0.040 . 1 . . . . . 10 LYS CB . 27869 1 105 . 1 1 10 10 LYS CG C 13 24.782 0.076 . 1 . . . . . 10 LYS CG . 27869 1 106 . 1 1 10 10 LYS CD C 13 29.149 0.124 . 1 . . . . . 10 LYS CD . 27869 1 107 . 1 1 10 10 LYS CE C 13 42.248 0.185 . 1 . . . . . 10 LYS CE . 27869 1 108 . 1 1 10 10 LYS N N 15 122.428 0.036 . 1 . . . . . 10 LYS N . 27869 1 109 . 1 1 11 11 PRO HA H 1 4.323 0.000 . 1 . . . . . 11 PRO HA . 27869 1 110 . 1 1 11 11 PRO HB2 H 1 1.608 0.003 . 2 . . . . . 11 PRO HB2 . 27869 1 111 . 1 1 11 11 PRO HB3 H 1 2.280 0.027 . 2 . . . . . 11 PRO HB3 . 27869 1 112 . 1 1 11 11 PRO HG2 H 1 1.793 0.005 . 2 . . . . . 11 PRO HG2 . 27869 1 113 . 1 1 11 11 PRO HG3 H 1 1.881 0.001 . 2 . . . . . 11 PRO HG3 . 27869 1 114 . 1 1 11 11 PRO HD2 H 1 2.846 0.002 . 2 . . . . . 11 PRO HD2 . 27869 1 115 . 1 1 11 11 PRO HD3 H 1 3.219 0.002 . 2 . . . . . 11 PRO HD3 . 27869 1 116 . 1 1 11 11 PRO C C 13 180.030 0.025 . 1 . . . . . 11 PRO C . 27869 1 117 . 1 1 11 11 PRO CA C 13 65.795 0.067 . 1 . . . . . 11 PRO CA . 27869 1 118 . 1 1 11 11 PRO CB C 13 30.946 0.059 . 1 . . . . . 11 PRO CB . 27869 1 119 . 1 1 11 11 PRO CG C 13 28.007 0.113 . 1 . . . . . 11 PRO CG . 27869 1 120 . 1 1 11 11 PRO CD C 13 49.319 0.084 . 1 . . . . . 11 PRO CD . 27869 1 121 . 1 1 12 12 ILE H H 1 6.502 0.005 . 1 . . . . . 12 ILE HN . 27869 1 122 . 1 1 12 12 ILE HA H 1 3.621 0.002 . 1 . . . . . 12 ILE HA . 27869 1 123 . 1 1 12 12 ILE HB H 1 1.584 0.002 . 1 . . . . . 12 ILE HB . 27869 1 124 . 1 1 12 12 ILE HG12 H 1 1.666 0.006 . 2 . . . . . 12 ILE HG12 . 27869 1 125 . 1 1 12 12 ILE HG21 H 1 0.593 0.004 . 1 . . . . . 12 ILE QG2 . 27869 1 126 . 1 1 12 12 ILE HG22 H 1 0.593 0.004 . 1 . . . . . 12 ILE QG2 . 27869 1 127 . 1 1 12 12 ILE HG23 H 1 0.593 0.004 . 1 . . . . . 12 ILE QG2 . 27869 1 128 . 1 1 12 12 ILE HD11 H 1 0.670 0.001 . 1 . . . . . 12 ILE QD1 . 27869 1 129 . 1 1 12 12 ILE HD12 H 1 0.670 0.001 . 1 . . . . . 12 ILE QD1 . 27869 1 130 . 1 1 12 12 ILE HD13 H 1 0.670 0.001 . 1 . . . . . 12 ILE QD1 . 27869 1 131 . 1 1 12 12 ILE C C 13 177.185 0.013 . 1 . . . . . 12 ILE C . 27869 1 132 . 1 1 12 12 ILE CA C 13 64.167 0.029 . 1 . . . . . 12 ILE CA . 27869 1 133 . 1 1 12 12 ILE CB C 13 38.642 0.044 . 1 . . . . . 12 ILE CB . 27869 1 134 . 1 1 12 12 ILE CG1 C 13 27.670 0.035 . 1 . . . . . 12 ILE CG1 . 27869 1 135 . 1 1 12 12 ILE CG2 C 13 16.594 0.061 . 1 . . . . . 12 ILE CG2 . 27869 1 136 . 1 1 12 12 ILE CD1 C 13 14.048 0.049 . 1 . . . . . 12 ILE CD1 . 27869 1 137 . 1 1 12 12 ILE N N 15 115.262 0.026 . 1 . . . . . 12 ILE N . 27869 1 138 . 1 1 13 13 PHE H H 1 8.896 0.001 . 1 . . . . . 13 PHE HN . 27869 1 139 . 1 1 13 13 PHE HA H 1 3.154 0.002 . 1 . . . . . 13 PHE HA . 27869 1 140 . 1 1 13 13 PHE HB2 H 1 2.393 0.000 . 2 . . . . . 13 PHE HB2 . 27869 1 141 . 1 1 13 13 PHE HB3 H 1 3.273 0.004 . 2 . . . . . 13 PHE HB3 . 27869 1 142 . 1 1 13 13 PHE C C 13 177.823 0.020 . 1 . . . . . 13 PHE C . 27869 1 143 . 1 1 13 13 PHE CA C 13 62.491 0.040 . 1 . . . . . 13 PHE CA . 27869 1 144 . 1 1 13 13 PHE CB C 13 39.591 0.055 . 1 . . . . . 13 PHE CB . 27869 1 145 . 1 1 13 13 PHE N N 15 121.584 0.033 . 1 . . . . . 13 PHE N . 27869 1 146 . 1 1 14 14 ASP H H 1 9.296 0.003 . 1 . . . . . 14 ASP HN . 27869 1 147 . 1 1 14 14 ASP HA H 1 4.544 0.000 . 1 . . . . . 14 ASP HA . 27869 1 148 . 1 1 14 14 ASP HB2 H 1 2.655 0.000 . 2 . . . . . 14 ASP HB2 . 27869 1 149 . 1 1 14 14 ASP HB3 H 1 2.692 0.006 . 2 . . . . . 14 ASP HB3 . 27869 1 150 . 1 1 14 14 ASP C C 13 176.703 0.014 . 1 . . . . . 14 ASP C . 27869 1 151 . 1 1 14 14 ASP CA C 13 57.203 0.023 . 1 . . . . . 14 ASP CA . 27869 1 152 . 1 1 14 14 ASP CB C 13 39.821 0.005 . 1 . . . . . 14 ASP CB . 27869 1 153 . 1 1 14 14 ASP N N 15 119.277 0.032 . 1 . . . . . 14 ASP N . 27869 1 154 . 1 1 15 15 VAL H H 1 6.830 0.004 . 1 . . . . . 15 VAL HN . 27869 1 155 . 1 1 15 15 VAL HA H 1 4.126 0.002 . 1 . . . . . 15 VAL HA . 27869 1 156 . 1 1 15 15 VAL HB H 1 1.933 0.002 . 1 . . . . . 15 VAL HB . 27869 1 157 . 1 1 15 15 VAL HG11 H 1 0.997 0.002 . 1 . . . . . 15 VAL QG1 . 27869 1 158 . 1 1 15 15 VAL HG12 H 1 0.997 0.002 . 1 . . . . . 15 VAL QG1 . 27869 1 159 . 1 1 15 15 VAL HG13 H 1 0.997 0.002 . 1 . . . . . 15 VAL QG1 . 27869 1 160 . 1 1 15 15 VAL HG21 H 1 0.871 0.001 . 1 . . . . . 15 VAL QG2 . 27869 1 161 . 1 1 15 15 VAL HG22 H 1 0.871 0.001 . 1 . . . . . 15 VAL QG2 . 27869 1 162 . 1 1 15 15 VAL HG23 H 1 0.871 0.001 . 1 . . . . . 15 VAL QG2 . 27869 1 163 . 1 1 15 15 VAL C C 13 177.051 0.010 . 1 . . . . . 15 VAL C . 27869 1 164 . 1 1 15 15 VAL CA C 13 63.384 0.028 . 1 . . . . . 15 VAL CA . 27869 1 165 . 1 1 15 15 VAL CB C 13 33.081 0.099 . 1 . . . . . 15 VAL CB . 27869 1 166 . 1 1 15 15 VAL CG1 C 13 20.992 0.057 . 2 . . . . . 15 VAL CG1 . 27869 1 167 . 1 1 15 15 VAL CG2 C 13 21.034 0.077 . 2 . . . . . 15 VAL CG2 . 27869 1 168 . 1 1 15 15 VAL N N 15 114.282 0.047 . 1 . . . . . 15 VAL N . 27869 1 169 . 1 1 16 16 ARG H H 1 8.266 0.004 . 1 . . . . . 16 ARG HN . 27869 1 170 . 1 1 16 16 ARG HA H 1 3.945 0.001 . 1 . . . . . 16 ARG HA . 27869 1 171 . 1 1 16 16 ARG C C 13 176.652 0.026 . 1 . . . . . 16 ARG C . 27869 1 172 . 1 1 16 16 ARG CA C 13 55.078 0.059 . 1 . . . . . 16 ARG CA . 27869 1 173 . 1 1 16 16 ARG CB C 13 28.978 0.110 . 1 . . . . . 16 ARG CB . 27869 1 174 . 1 1 16 16 ARG CG C 13 24.648 0.000 . 1 . . . . . 16 ARG CG . 27869 1 175 . 1 1 16 16 ARG N N 15 115.177 0.036 . 1 . . . . . 16 ARG N . 27869 1 176 . 1 1 17 17 CYS H H 1 7.455 0.004 . 1 . . . . . 17 CYS HN . 27869 1 177 . 1 1 17 17 CYS HA H 1 2.140 0.005 . 1 . . . . . 17 CYS HA . 27869 1 178 . 1 1 17 17 CYS HB2 H 1 0.245 0.008 . 2 . . . . . 17 CYS HB2 . 27869 1 179 . 1 1 17 17 CYS C C 13 175.900 0.016 . 1 . . . . . 17 CYS C . 27869 1 180 . 1 1 17 17 CYS CA C 13 52.292 0.027 . 1 . . . . . 17 CYS CA . 27869 1 181 . 1 1 17 17 CYS CB C 13 34.814 0.116 . 1 . . . . . 17 CYS CB . 27869 1 182 . 1 1 17 17 CYS N N 15 113.575 0.021 . 1 . . . . . 17 CYS N . 27869 1 183 . 1 1 18 18 ALA H H 1 6.954 0.003 . 1 . . . . . 18 ALA HN . 27869 1 184 . 1 1 18 18 ALA HA H 1 4.351 0.002 . 1 . . . . . 18 ALA HA . 27869 1 185 . 1 1 18 18 ALA HB1 H 1 1.917 0.002 . 1 . . . . . 18 ALA QB . 27869 1 186 . 1 1 18 18 ALA HB2 H 1 1.917 0.002 . 1 . . . . . 18 ALA QB . 27869 1 187 . 1 1 18 18 ALA HB3 H 1 1.917 0.002 . 1 . . . . . 18 ALA QB . 27869 1 188 . 1 1 18 18 ALA C C 13 177.926 0.025 . 1 . . . . . 18 ALA C . 27869 1 189 . 1 1 18 18 ALA CA C 13 55.772 0.018 . 1 . . . . . 18 ALA CA . 27869 1 190 . 1 1 18 18 ALA CB C 13 19.169 0.049 . 1 . . . . . 18 ALA CB . 27869 1 191 . 1 1 18 18 ALA N N 15 119.025 0.024 . 1 . . . . . 18 ALA N . 27869 1 192 . 1 1 19 19 GLY H H 1 8.598 0.004 . 1 . . . . . 19 GLY HN . 27869 1 193 . 1 1 19 19 GLY HA2 H 1 3.661 0.000 . 2 . . . . . 19 GLY HA1 . 27869 1 194 . 1 1 19 19 GLY HA3 H 1 4.033 0.000 . 2 . . . . . 19 GLY HA2 . 27869 1 195 . 1 1 19 19 GLY C C 13 174.829 0.000 . 1 . . . . . 19 GLY C . 27869 1 196 . 1 1 19 19 GLY CA C 13 46.441 0.046 . 1 . . . . . 19 GLY CA . 27869 1 197 . 1 1 19 19 GLY N N 15 105.581 0.019 . 1 . . . . . 19 GLY N . 27869 1 198 . 1 1 20 20 CYS H H 1 6.730 0.003 . 1 . . . . . 20 CYS HN . 27869 1 199 . 1 1 20 20 CYS HA H 1 5.309 0.000 . 1 . . . . . 20 CYS HA . 27869 1 200 . 1 1 20 20 CYS HB2 H 1 0.270 0.000 . 2 . . . . . 20 CYS HB2 . 27869 1 201 . 1 1 20 20 CYS C C 13 175.493 0.026 . 1 . . . . . 20 CYS C . 27869 1 202 . 1 1 20 20 CYS CA C 13 55.052 0.037 . 1 . . . . . 20 CYS CA . 27869 1 203 . 1 1 20 20 CYS CB C 13 34.856 0.007 . 1 . . . . . 20 CYS CB . 27869 1 204 . 1 1 20 20 CYS N N 15 114.306 0.023 . 1 . . . . . 20 CYS N . 27869 1 205 . 1 1 21 21 HIS H H 1 9.239 0.003 . 1 . . . . . 21 HIS HN . 27869 1 206 . 1 1 21 21 HIS C C 13 177.725 0.000 . 1 . . . . . 21 HIS C . 27869 1 207 . 1 1 21 21 HIS CA C 13 46.814 0.011 . 1 . . . . . 21 HIS CA . 27869 1 208 . 1 1 21 21 HIS N N 15 117.397 0.024 . 1 . . . . . 21 HIS N . 27869 1 209 . 1 1 22 22 GLY H H 1 10.391 0.003 . 1 . . . . . 22 GLY HN . 27869 1 210 . 1 1 22 22 GLY HA2 H 1 5.860 0.000 . 2 . . . . . 22 GLY HA1 . 27869 1 211 . 1 1 22 22 GLY C C 13 175.575 0.006 . 1 . . . . . 22 GLY C . 27869 1 212 . 1 1 22 22 GLY CA C 13 46.184 0.027 . 1 . . . . . 22 GLY CA . 27869 1 213 . 1 1 22 22 GLY N N 15 120.820 0.036 . 1 . . . . . 22 GLY N . 27869 1 214 . 1 1 23 23 ALA H H 1 9.255 0.003 . 1 . . . . . 23 ALA HN . 27869 1 215 . 1 1 23 23 ALA HA H 1 4.647 0.003 . 1 . . . . . 23 ALA HA . 27869 1 216 . 1 1 23 23 ALA HB1 H 1 1.857 0.000 . 1 . . . . . 23 ALA QB . 27869 1 217 . 1 1 23 23 ALA HB2 H 1 1.857 0.000 . 1 . . . . . 23 ALA QB . 27869 1 218 . 1 1 23 23 ALA HB3 H 1 1.857 0.000 . 1 . . . . . 23 ALA QB . 27869 1 219 . 1 1 23 23 ALA C C 13 178.485 0.017 . 1 . . . . . 23 ALA C . 27869 1 220 . 1 1 23 23 ALA CA C 13 55.112 0.054 . 1 . . . . . 23 ALA CA . 27869 1 221 . 1 1 23 23 ALA CB C 13 19.139 0.074 . 1 . . . . . 23 ALA CB . 27869 1 222 . 1 1 23 23 ALA N N 15 127.955 0.039 . 1 . . . . . 23 ALA N . 27869 1 223 . 1 1 24 24 ASP H H 1 8.516 0.004 . 1 . . . . . 24 ASP HN . 27869 1 224 . 1 1 24 24 ASP HA H 1 5.236 0.001 . 1 . . . . . 24 ASP HA . 27869 1 225 . 1 1 24 24 ASP HB2 H 1 2.680 0.000 . 2 . . . . . 24 ASP HB2 . 27869 1 226 . 1 1 24 24 ASP HB3 H 1 3.052 0.000 . 2 . . . . . 24 ASP HB3 . 27869 1 227 . 1 1 24 24 ASP C C 13 174.315 0.030 . 1 . . . . . 24 ASP C . 27869 1 228 . 1 1 24 24 ASP CA C 13 54.158 0.038 . 1 . . . . . 24 ASP CA . 27869 1 229 . 1 1 24 24 ASP CB C 13 41.833 0.019 . 1 . . . . . 24 ASP CB . 27869 1 230 . 1 1 24 24 ASP N N 15 115.525 0.026 . 1 . . . . . 24 ASP N . 27869 1 231 . 1 1 25 25 ALA H H 1 7.792 0.003 . 1 . . . . . 25 ALA HN . 27869 1 232 . 1 1 25 25 ALA HA H 1 4.962 0.003 . 1 . . . . . 25 ALA HA . 27869 1 233 . 1 1 25 25 ALA HB1 H 1 2.611 0.001 . 1 . . . . . 25 ALA QB . 27869 1 234 . 1 1 25 25 ALA HB2 H 1 2.611 0.001 . 1 . . . . . 25 ALA QB . 27869 1 235 . 1 1 25 25 ALA HB3 H 1 2.611 0.001 . 1 . . . . . 25 ALA QB . 27869 1 236 . 1 1 25 25 ALA C C 13 177.324 0.018 . 1 . . . . . 25 ALA C . 27869 1 237 . 1 1 25 25 ALA CA C 13 51.417 0.070 . 1 . . . . . 25 ALA CA . 27869 1 238 . 1 1 25 25 ALA CB C 13 20.526 0.136 . 1 . . . . . 25 ALA CB . 27869 1 239 . 1 1 25 25 ALA N N 15 121.985 0.031 . 1 . . . . . 25 ALA N . 27869 1 240 . 1 1 26 26 ALA H H 1 8.623 0.042 . 1 . . . . . 26 ALA HN . 27869 1 241 . 1 1 26 26 ALA HA H 1 2.960 0.005 . 1 . . . . . 26 ALA HA . 27869 1 242 . 1 1 26 26 ALA HB1 H 1 0.601 0.001 . 1 . . . . . 26 ALA QB . 27869 1 243 . 1 1 26 26 ALA HB2 H 1 0.601 0.001 . 1 . . . . . 26 ALA QB . 27869 1 244 . 1 1 26 26 ALA HB3 H 1 0.601 0.001 . 1 . . . . . 26 ALA QB . 27869 1 245 . 1 1 26 26 ALA CA C 13 50.358 0.041 . 1 . . . . . 26 ALA CA . 27869 1 246 . 1 1 26 26 ALA CB C 13 16.905 0.078 . 1 . . . . . 26 ALA CB . 27869 1 247 . 1 1 26 26 ALA N N 15 125.290 0.064 . 1 . . . . . 26 ALA N . 27869 1 248 . 1 1 27 27 PRO HA H 1 4.622 0.000 . 1 . . . . . 27 PRO HA . 27869 1 249 . 1 1 27 27 PRO HB2 H 1 2.429 0.003 . 2 . . . . . 27 PRO HB2 . 27869 1 250 . 1 1 27 27 PRO HB3 H 1 2.946 0.002 . 2 . . . . . 27 PRO HB3 . 27869 1 251 . 1 1 27 27 PRO HG2 H 1 2.299 0.000 . 2 . . . . . 27 PRO HG2 . 27869 1 252 . 1 1 27 27 PRO HG3 H 1 2.638 0.001 . 2 . . . . . 27 PRO HG3 . 27869 1 253 . 1 1 27 27 PRO HD2 H 1 3.723 0.000 . 2 . . . . . 27 PRO HD2 . 27869 1 254 . 1 1 27 27 PRO C C 13 175.915 0.005 . 1 . . . . . 27 PRO C . 27869 1 255 . 1 1 27 27 PRO CA C 13 65.532 0.058 . 1 . . . . . 27 PRO CA . 27869 1 256 . 1 1 27 27 PRO CB C 13 32.918 0.061 . 1 . . . . . 27 PRO CB . 27869 1 257 . 1 1 27 27 PRO CG C 13 27.835 0.096 . 1 . . . . . 27 PRO CG . 27869 1 258 . 1 1 27 27 PRO CD C 13 50.833 0.042 . 1 . . . . . 27 PRO CD . 27869 1 259 . 1 1 28 28 GLU H H 1 6.992 0.001 . 1 . . . . . 28 GLU HN . 27869 1 260 . 1 1 28 28 GLU HA H 1 5.487 0.000 . 1 . . . . . 28 GLU HA . 27869 1 261 . 1 1 28 28 GLU HB2 H 1 0.974 0.001 . 2 . . . . . 28 GLU HB2 . 27869 1 262 . 1 1 28 28 GLU HB3 H 1 1.018 0.001 . 2 . . . . . 28 GLU HB3 . 27869 1 263 . 1 1 28 28 GLU C C 13 176.824 0.015 . 1 . . . . . 28 GLU C . 27869 1 264 . 1 1 28 28 GLU CA C 13 52.727 0.031 . 1 . . . . . 28 GLU CA . 27869 1 265 . 1 1 28 28 GLU CB C 13 35.618 0.006 . 1 . . . . . 28 GLU CB . 27869 1 266 . 1 1 28 28 GLU CG C 13 36.638 0.021 . 1 . . . . . 28 GLU CG . 27869 1 267 . 1 1 28 28 GLU N N 15 108.147 0.039 . 1 . . . . . 28 GLU N . 27869 1 268 . 1 1 29 29 TYR H H 1 9.675 0.003 . 1 . . . . . 29 TYR HN . 27869 1 269 . 1 1 29 29 TYR HA H 1 4.075 0.000 . 1 . . . . . 29 TYR HA . 27869 1 270 . 1 1 29 29 TYR HB2 H 1 2.512 0.002 . 2 . . . . . 29 TYR HB2 . 27869 1 271 . 1 1 29 29 TYR C C 13 177.764 0.000 . 1 . . . . . 29 TYR C . 27869 1 272 . 1 1 29 29 TYR CA C 13 62.702 0.013 . 1 . . . . . 29 TYR CA . 27869 1 273 . 1 1 29 29 TYR CB C 13 38.988 0.025 . 1 . . . . . 29 TYR CB . 27869 1 274 . 1 1 29 29 TYR N N 15 127.511 0.018 . 1 . . . . . 29 TYR N . 27869 1 275 . 1 1 30 30 HIS H H 1 8.933 0.004 . 1 . . . . . 30 HIS HN . 27869 1 276 . 1 1 30 30 HIS HA H 1 4.039 0.001 . 1 . . . . . 30 HIS HA . 27869 1 277 . 1 1 30 30 HIS HB2 H 1 2.573 0.002 . 2 . . . . . 30 HIS HB2 . 27869 1 278 . 1 1 30 30 HIS HB3 H 1 3.265 0.000 . 2 . . . . . 30 HIS HB3 . 27869 1 279 . 1 1 30 30 HIS C C 13 178.059 0.013 . 1 . . . . . 30 HIS C . 27869 1 280 . 1 1 30 30 HIS CA C 13 60.097 0.059 . 1 . . . . . 30 HIS CA . 27869 1 281 . 1 1 30 30 HIS CB C 13 31.260 0.046 . 1 . . . . . 30 HIS CB . 27869 1 282 . 1 1 30 30 HIS N N 15 114.733 0.025 . 1 . . . . . 30 HIS N . 27869 1 283 . 1 1 31 31 ALA H H 1 6.712 0.001 . 1 . . . . . 31 ALA HN . 27869 1 284 . 1 1 31 31 ALA HA H 1 4.640 0.002 . 1 . . . . . 31 ALA HA . 27869 1 285 . 1 1 31 31 ALA HB1 H 1 1.904 0.000 . 1 . . . . . 31 ALA QB . 27869 1 286 . 1 1 31 31 ALA HB2 H 1 1.904 0.000 . 1 . . . . . 31 ALA QB . 27869 1 287 . 1 1 31 31 ALA HB3 H 1 1.904 0.000 . 1 . . . . . 31 ALA QB . 27869 1 288 . 1 1 31 31 ALA C C 13 178.899 0.015 . 1 . . . . . 31 ALA C . 27869 1 289 . 1 1 31 31 ALA CA C 13 54.240 0.031 . 1 . . . . . 31 ALA CA . 27869 1 290 . 1 1 31 31 ALA CB C 13 18.336 0.049 . 1 . . . . . 31 ALA CB . 27869 1 291 . 1 1 31 31 ALA N N 15 121.000 0.010 . 1 . . . . . 31 ALA N . 27869 1 292 . 1 1 32 32 PHE H H 1 7.556 0.004 . 1 . . . . . 32 PHE HN . 27869 1 293 . 1 1 32 32 PHE HA H 1 3.987 0.002 . 1 . . . . . 32 PHE HA . 27869 1 294 . 1 1 32 32 PHE HB2 H 1 2.831 0.000 . 2 . . . . . 32 PHE HB2 . 27869 1 295 . 1 1 32 32 PHE HB3 H 1 3.398 0.000 . 2 . . . . . 32 PHE HB3 . 27869 1 296 . 1 1 32 32 PHE C C 13 175.813 0.031 . 1 . . . . . 32 PHE C . 27869 1 297 . 1 1 32 32 PHE CA C 13 60.939 0.095 . 1 . . . . . 32 PHE CA . 27869 1 298 . 1 1 32 32 PHE CB C 13 38.629 0.028 . 1 . . . . . 32 PHE CB . 27869 1 299 . 1 1 32 32 PHE N N 15 118.122 0.057 . 1 . . . . . 32 PHE N . 27869 1 300 . 1 1 33 33 LYS H H 1 7.903 0.003 . 1 . . . . . 33 LYS HN . 27869 1 301 . 1 1 33 33 LYS HA H 1 3.381 0.002 . 1 . . . . . 33 LYS HA . 27869 1 302 . 1 1 33 33 LYS HB2 H 1 1.603 0.001 . 2 . . . . . 33 LYS HB2 . 27869 1 303 . 1 1 33 33 LYS HB3 H 1 1.694 0.000 . 2 . . . . . 33 LYS HB3 . 27869 1 304 . 1 1 33 33 LYS HG2 H 1 1.028 0.002 . 2 . . . . . 33 LYS HG2 . 27869 1 305 . 1 1 33 33 LYS HD2 H 1 1.411 0.003 . 2 . . . . . 33 LYS HD2 . 27869 1 306 . 1 1 33 33 LYS HE2 H 1 2.704 0.000 . 2 . . . . . 33 LYS HE2 . 27869 1 307 . 1 1 33 33 LYS HE3 H 1 2.868 0.000 . 2 . . . . . 33 LYS HE3 . 27869 1 308 . 1 1 33 33 LYS C C 13 178.150 0.014 . 1 . . . . . 33 LYS C . 27869 1 309 . 1 1 33 33 LYS CA C 13 57.888 0.038 . 1 . . . . . 33 LYS CA . 27869 1 310 . 1 1 33 33 LYS CB C 13 31.511 0.072 . 1 . . . . . 33 LYS CB . 27869 1 311 . 1 1 33 33 LYS CG C 13 23.776 0.013 . 1 . . . . . 33 LYS CG . 27869 1 312 . 1 1 33 33 LYS CD C 13 27.958 0.069 . 1 . . . . . 33 LYS CD . 27869 1 313 . 1 1 33 33 LYS CE C 13 41.441 0.008 . 1 . . . . . 33 LYS CE . 27869 1 314 . 1 1 33 33 LYS N N 15 113.868 0.019 . 1 . . . . . 33 LYS N . 27869 1 315 . 1 1 34 34 ALA H H 1 7.412 0.003 . 1 . . . . . 34 ALA HN . 27869 1 316 . 1 1 34 34 ALA HA H 1 4.271 0.001 . 1 . . . . . 34 ALA HA . 27869 1 317 . 1 1 34 34 ALA HB1 H 1 1.692 0.000 . 1 . . . . . 34 ALA QB . 27869 1 318 . 1 1 34 34 ALA HB2 H 1 1.692 0.000 . 1 . . . . . 34 ALA QB . 27869 1 319 . 1 1 34 34 ALA HB3 H 1 1.692 0.000 . 1 . . . . . 34 ALA QB . 27869 1 320 . 1 1 34 34 ALA C C 13 178.299 0.044 . 1 . . . . . 34 ALA C . 27869 1 321 . 1 1 34 34 ALA CA C 13 53.867 0.027 . 1 . . . . . 34 ALA CA . 27869 1 322 . 1 1 34 34 ALA CB C 13 19.281 0.050 . 1 . . . . . 34 ALA CB . 27869 1 323 . 1 1 34 34 ALA N N 15 117.953 0.035 . 1 . . . . . 34 ALA N . 27869 1 324 . 1 1 35 35 GLU H H 1 7.189 0.005 . 1 . . . . . 35 GLU HN . 27869 1 325 . 1 1 35 35 GLU HA H 1 4.754 0.002 . 1 . . . . . 35 GLU HA . 27869 1 326 . 1 1 35 35 GLU HB2 H 1 2.041 0.003 . 2 . . . . . 35 GLU HB2 . 27869 1 327 . 1 1 35 35 GLU HB3 H 1 2.300 0.001 . 2 . . . . . 35 GLU HB3 . 27869 1 328 . 1 1 35 35 GLU HG2 H 1 2.380 0.002 . 2 . . . . . 35 GLU HG2 . 27869 1 329 . 1 1 35 35 GLU HG3 H 1 2.335 0.036 . 2 . . . . . 35 GLU HG3 . 27869 1 330 . 1 1 35 35 GLU C C 13 175.706 0.016 . 1 . . . . . 35 GLU C . 27869 1 331 . 1 1 35 35 GLU CA C 13 53.873 0.067 . 1 . . . . . 35 GLU CA . 27869 1 332 . 1 1 35 35 GLU CB C 13 30.767 0.024 . 1 . . . . . 35 GLU CB . 27869 1 333 . 1 1 35 35 GLU CG C 13 36.504 0.055 . 1 . . . . . 35 GLU CG . 27869 1 334 . 1 1 35 35 GLU N N 15 117.226 0.045 . 1 . . . . . 35 GLU N . 27869 1 335 . 1 1 36 36 LYS H H 1 7.159 0.003 . 1 . . . . . 36 LYS HN . 27869 1 336 . 1 1 36 36 LYS HA H 1 3.134 0.001 . 1 . . . . . 36 LYS HA . 27869 1 337 . 1 1 36 36 LYS HB2 H 1 1.172 0.001 . 2 . . . . . 36 LYS HB2 . 27869 1 338 . 1 1 36 36 LYS HG2 H 1 0.803 0.002 . 2 . . . . . 36 LYS HG2 . 27869 1 339 . 1 1 36 36 LYS HG3 H 1 0.910 0.003 . 2 . . . . . 36 LYS HG3 . 27869 1 340 . 1 1 36 36 LYS HD2 H 1 1.368 0.002 . 2 . . . . . 36 LYS HD2 . 27869 1 341 . 1 1 36 36 LYS HE2 H 1 2.740 0.002 . 2 . . . . . 36 LYS HE2 . 27869 1 342 . 1 1 36 36 LYS C C 13 177.656 0.038 . 1 . . . . . 36 LYS C . 27869 1 343 . 1 1 36 36 LYS CA C 13 60.599 0.024 . 1 . . . . . 36 LYS CA . 27869 1 344 . 1 1 36 36 LYS CB C 13 32.316 0.055 . 1 . . . . . 36 LYS CB . 27869 1 345 . 1 1 36 36 LYS CG C 13 23.805 0.032 . 1 . . . . . 36 LYS CG . 27869 1 346 . 1 1 36 36 LYS CD C 13 29.375 0.082 . 1 . . . . . 36 LYS CD . 27869 1 347 . 1 1 36 36 LYS CE C 13 41.481 0.026 . 1 . . . . . 36 LYS CE . 27869 1 348 . 1 1 36 36 LYS N N 15 122.320 0.044 . 1 . . . . . 36 LYS N . 27869 1 349 . 1 1 37 37 GLU H H 1 8.619 0.004 . 1 . . . . . 37 GLU H . 27869 1 350 . 1 1 37 37 GLU HA H 1 3.700 0.001 . 1 . . . . . 37 GLU HA . 27869 1 351 . 1 1 37 37 GLU HB2 H 1 1.862 0.002 . 2 . . . . . 37 GLU HB2 . 27869 1 352 . 1 1 37 37 GLU HG2 H 1 2.181 0.002 . 2 . . . . . 37 GLU HG2 . 27869 1 353 . 1 1 37 37 GLU C C 13 178.820 0.002 . 1 . . . . . 37 GLU C . 27869 1 354 . 1 1 37 37 GLU CA C 13 59.745 0.024 . 1 . . . . . 37 GLU CA . 27869 1 355 . 1 1 37 37 GLU CB C 13 28.096 0.076 . 1 . . . . . 37 GLU CB . 27869 1 356 . 1 1 37 37 GLU CG C 13 36.463 0.030 . 1 . . . . . 37 GLU CG . 27869 1 357 . 1 1 37 37 GLU N N 15 115.583 0.042 . 1 . . . . . 37 GLU N . 27869 1 358 . 1 1 38 38 LYS H H 1 7.433 0.002 . 1 . . . . . 38 LYS HN . 27869 1 359 . 1 1 38 38 LYS HA H 1 3.787 0.002 . 1 . . . . . 38 LYS HA . 27869 1 360 . 1 1 38 38 LYS HB2 H 1 1.427 0.002 . 2 . . . . . 38 LYS HB2 . 27869 1 361 . 1 1 38 38 LYS HB3 H 1 1.586 0.002 . 2 . . . . . 38 LYS HB3 . 27869 1 362 . 1 1 38 38 LYS HG2 H 1 0.484 0.000 . 2 . . . . . 38 LYS HG2 . 27869 1 363 . 1 1 38 38 LYS HG3 H 1 0.984 0.003 . 2 . . . . . 38 LYS HG3 . 27869 1 364 . 1 1 38 38 LYS HD2 H 1 1.176 0.003 . 2 . . . . . 38 LYS HD2 . 27869 1 365 . 1 1 38 38 LYS HD3 H 1 1.272 0.002 . 2 . . . . . 38 LYS HD3 . 27869 1 366 . 1 1 38 38 LYS HE2 H 1 2.454 0.001 . 2 . . . . . 38 LYS HE2 . 27869 1 367 . 1 1 38 38 LYS C C 13 177.930 0.004 . 1 . . . . . 38 LYS C . 27869 1 368 . 1 1 38 38 LYS CA C 13 58.508 0.035 . 1 . . . . . 38 LYS CA . 27869 1 369 . 1 1 38 38 LYS CB C 13 31.650 0.053 . 1 . . . . . 38 LYS CB . 27869 1 370 . 1 1 38 38 LYS CG C 13 23.876 0.048 . 1 . . . . . 38 LYS CG . 27869 1 371 . 1 1 38 38 LYS CD C 13 29.066 0.084 . 1 . . . . . 38 LYS CD . 27869 1 372 . 1 1 38 38 LYS CE C 13 41.581 0.086 . 1 . . . . . 38 LYS CE . 27869 1 373 . 1 1 38 38 LYS N N 15 119.702 0.027 . 1 . . . . . 38 LYS N . 27869 1 374 . 1 1 39 39 TRP H H 1 6.921 0.002 . 1 . . . . . 39 TRP HN . 27869 1 375 . 1 1 39 39 TRP HA H 1 4.343 0.000 . 1 . . . . . 39 TRP HA . 27869 1 376 . 1 1 39 39 TRP HB2 H 1 2.983 0.000 . 2 . . . . . 39 TRP HB2 . 27869 1 377 . 1 1 39 39 TRP C C 13 179.013 0.000 . 1 . . . . . 39 TRP C . 27869 1 378 . 1 1 39 39 TRP CA C 13 58.963 0.058 . 1 . . . . . 39 TRP CA . 27869 1 379 . 1 1 39 39 TRP CB C 13 29.382 0.008 . 1 . . . . . 39 TRP CB . 27869 1 380 . 1 1 39 39 TRP N N 15 120.007 0.014 . 1 . . . . . 39 TRP N . 27869 1 381 . 1 1 40 40 LEU H H 1 8.853 0.002 . 1 . . . . . 40 LEU HN . 27869 1 382 . 1 1 40 40 LEU HA H 1 3.604 0.001 . 1 . . . . . 40 LEU HA . 27869 1 383 . 1 1 40 40 LEU HB2 H 1 1.000 0.006 . 2 . . . . . 40 LEU HB2 . 27869 1 384 . 1 1 40 40 LEU HB3 H 1 1.515 0.003 . 2 . . . . . 40 LEU HB3 . 27869 1 385 . 1 1 40 40 LEU HG H 1 0.407 0.006 . 1 . . . . . 40 LEU HG . 27869 1 386 . 1 1 40 40 LEU HD11 H 1 0.051 0.002 . 1 . . . . . 40 LEU QD1 . 27869 1 387 . 1 1 40 40 LEU HD12 H 1 0.051 0.002 . 1 . . . . . 40 LEU QD1 . 27869 1 388 . 1 1 40 40 LEU HD13 H 1 0.051 0.002 . 1 . . . . . 40 LEU QD1 . 27869 1 389 . 1 1 40 40 LEU HD21 H 1 0.048 0.001 . 1 . . . . . 40 LEU QD2 . 27869 1 390 . 1 1 40 40 LEU HD22 H 1 0.048 0.001 . 1 . . . . . 40 LEU QD2 . 27869 1 391 . 1 1 40 40 LEU HD23 H 1 0.048 0.001 . 1 . . . . . 40 LEU QD2 . 27869 1 392 . 1 1 40 40 LEU C C 13 181.200 0.000 . 1 . . . . . 40 LEU C . 27869 1 393 . 1 1 40 40 LEU CA C 13 57.402 0.036 . 1 . . . . . 40 LEU CA . 27869 1 394 . 1 1 40 40 LEU CB C 13 40.953 0.058 . 1 . . . . . 40 LEU CB . 27869 1 395 . 1 1 40 40 LEU CG C 13 25.237 0.020 . 1 . . . . . 40 LEU CG . 27869 1 396 . 1 1 40 40 LEU CD1 C 13 21.676 0.044 . 2 . . . . . 40 LEU CD1 . 27869 1 397 . 1 1 40 40 LEU CD2 C 13 21.675 0.038 . 2 . . . . . 40 LEU CD2 . 27869 1 398 . 1 1 40 40 LEU N N 15 119.319 0.027 . 1 . . . . . 40 LEU N . 27869 1 399 . 1 1 41 41 ALA H H 1 7.622 0.004 . 1 . . . . . 41 ALA HN . 27869 1 400 . 1 1 41 41 ALA HA H 1 3.995 0.001 . 1 . . . . . 41 ALA HA . 27869 1 401 . 1 1 41 41 ALA HB1 H 1 1.373 0.002 . 1 . . . . . 41 ALA QB . 27869 1 402 . 1 1 41 41 ALA HB2 H 1 1.373 0.002 . 1 . . . . . 41 ALA QB . 27869 1 403 . 1 1 41 41 ALA HB3 H 1 1.373 0.002 . 1 . . . . . 41 ALA QB . 27869 1 404 . 1 1 41 41 ALA C C 13 178.627 0.007 . 1 . . . . . 41 ALA C . 27869 1 405 . 1 1 41 41 ALA CA C 13 54.476 0.026 . 1 . . . . . 41 ALA CA . 27869 1 406 . 1 1 41 41 ALA CB C 13 17.647 0.053 . 1 . . . . . 41 ALA CB . 27869 1 407 . 1 1 41 41 ALA N N 15 121.709 0.018 . 1 . . . . . 41 ALA N . 27869 1 408 . 1 1 42 42 LYS H H 1 7.080 0.004 . 1 . . . . . 42 LYS HN . 27869 1 409 . 1 1 42 42 LYS HA H 1 4.387 0.001 . 1 . . . . . 42 LYS HA . 27869 1 410 . 1 1 42 42 LYS HB2 H 1 1.841 0.000 . 2 . . . . . 42 LYS HB2 . 27869 1 411 . 1 1 42 42 LYS HB3 H 1 2.105 0.002 . 2 . . . . . 42 LYS HB3 . 27869 1 412 . 1 1 42 42 LYS HG2 H 1 1.468 0.003 . 2 . . . . . 42 LYS HG2 . 27869 1 413 . 1 1 42 42 LYS HD2 H 1 1.623 0.002 . 2 . . . . . 42 LYS HD2 . 27869 1 414 . 1 1 42 42 LYS HD3 H 1 1.689 0.000 . 2 . . . . . 42 LYS HD3 . 27869 1 415 . 1 1 42 42 LYS HE2 H 1 2.861 0.002 . 2 . . . . . 42 LYS HE2 . 27869 1 416 . 1 1 42 42 LYS HE3 H 1 2.911 0.001 . 2 . . . . . 42 LYS HE3 . 27869 1 417 . 1 1 42 42 LYS C C 13 176.129 0.011 . 1 . . . . . 42 LYS C . 27869 1 418 . 1 1 42 42 LYS CA C 13 54.891 0.068 . 1 . . . . . 42 LYS CA . 27869 1 419 . 1 1 42 42 LYS CB C 13 32.818 0.034 . 1 . . . . . 42 LYS CB . 27869 1 420 . 1 1 42 42 LYS CG C 13 24.396 0.038 . 1 . . . . . 42 LYS CG . 27869 1 421 . 1 1 42 42 LYS CD C 13 29.228 0.050 . 1 . . . . . 42 LYS CD . 27869 1 422 . 1 1 42 42 LYS CE C 13 41.859 0.038 . 1 . . . . . 42 LYS CE . 27869 1 423 . 1 1 42 42 LYS N N 15 114.683 0.021 . 1 . . . . . 42 LYS N . 27869 1 424 . 1 1 43 43 GLY H H 1 7.759 0.002 . 1 . . . . . 43 GLY HN . 27869 1 425 . 1 1 43 43 GLY HA2 H 1 3.456 0.000 . 2 . . . . . 43 GLY HA1 . 27869 1 426 . 1 1 43 43 GLY HA3 H 1 2.923 0.000 . 2 . . . . . 43 GLY HA2 . 27869 1 427 . 1 1 43 43 GLY C C 13 173.014 0.028 . 1 . . . . . 43 GLY C . 27869 1 428 . 1 1 43 43 GLY CA C 13 44.964 0.019 . 1 . . . . . 43 GLY CA . 27869 1 429 . 1 1 43 43 GLY N N 15 109.190 0.018 . 1 . . . . . 43 GLY N . 27869 1 430 . 1 1 44 44 GLN H H 1 7.288 0.004 . 1 . . . . . 44 GLN HN . 27869 1 431 . 1 1 44 44 GLN HA H 1 3.518 0.000 . 1 . . . . . 44 GLN HA . 27869 1 432 . 1 1 44 44 GLN HB2 H 1 2.092 0.000 . 2 . . . . . 44 GLN HB2 . 27869 1 433 . 1 1 44 44 GLN HB3 H 1 2.673 0.005 . 2 . . . . . 44 GLN HB3 . 27869 1 434 . 1 1 44 44 GLN C C 13 173.354 0.011 . 1 . . . . . 44 GLN C . 27869 1 435 . 1 1 44 44 GLN CA C 13 53.625 0.022 . 1 . . . . . 44 GLN CA . 27869 1 436 . 1 1 44 44 GLN CB C 13 32.319 0.011 . 1 . . . . . 44 GLN CB . 27869 1 437 . 1 1 44 44 GLN N N 15 116.274 0.027 . 1 . . . . . 44 GLN N . 27869 1 438 . 1 1 45 45 GLY H H 1 8.155 0.001 . 1 . . . . . 45 GLY HN . 27869 1 439 . 1 1 45 45 GLY HA2 H 1 3.874 0.000 . 2 . . . . . 45 GLY HA1 . 27869 1 440 . 1 1 45 45 GLY CA C 13 44.706 0.047 . 1 . . . . . 45 GLY CA . 27869 1 441 . 1 1 45 45 GLY N N 15 103.691 0.013 . 1 . . . . . 45 GLY N . 27869 1 442 . 1 1 46 46 MET H H 1 11.805 0.000 . 1 . . . . . 46 MET HN . 27869 1 443 . 1 1 46 46 MET HA H 1 6.322 0.005 . 1 . . . . . 46 MET HA . 27869 1 444 . 1 1 46 46 MET HB2 H 1 2.561 0.002 . 2 . . . . . 46 MET HB2 . 27869 1 445 . 1 1 46 46 MET HB3 H 1 2.801 0.004 . 2 . . . . . 46 MET HB3 . 27869 1 446 . 1 1 46 46 MET HG2 H 1 4.014 0.000 . 2 . . . . . 46 MET HG2 . 27869 1 447 . 1 1 46 46 MET HG3 H 1 4.471 0.002 . 2 . . . . . 46 MET HG3 . 27869 1 448 . 1 1 46 46 MET C C 13 178.045 0.000 . 1 . . . . . 46 MET C . 27869 1 449 . 1 1 46 46 MET CA C 13 56.879 0.048 . 1 . . . . . 46 MET CA . 27869 1 450 . 1 1 46 46 MET CB C 13 30.730 0.017 . 1 . . . . . 46 MET CB . 27869 1 451 . 1 1 46 46 MET CG C 13 34.610 0.032 . 1 . . . . . 46 MET CG . 27869 1 452 . 1 1 46 46 MET N N 15 122.758 0.000 . 1 . . . . . 46 MET N . 27869 1 453 . 1 1 47 47 ARG H H 1 10.384 0.004 . 1 . . . . . 47 ARG HN . 27869 1 454 . 1 1 47 47 ARG HA H 1 5.591 0.002 . 1 . . . . . 47 ARG HA . 27869 1 455 . 1 1 47 47 ARG HB2 H 1 2.427 0.002 . 2 . . . . . 47 ARG HB2 . 27869 1 456 . 1 1 47 47 ARG HB3 H 1 2.890 0.005 . 2 . . . . . 47 ARG HB3 . 27869 1 457 . 1 1 47 47 ARG HG2 H 1 2.022 0.002 . 2 . . . . . 47 ARG HG2 . 27869 1 458 . 1 1 47 47 ARG HG3 H 1 2.316 0.009 . 2 . . . . . 47 ARG HG3 . 27869 1 459 . 1 1 47 47 ARG HD2 H 1 2.747 0.003 . 2 . . . . . 47 ARG HD2 . 27869 1 460 . 1 1 47 47 ARG HD3 H 1 3.507 0.002 . 2 . . . . . 47 ARG HD3 . 27869 1 461 . 1 1 47 47 ARG C C 13 177.899 0.026 . 1 . . . . . 47 ARG C . 27869 1 462 . 1 1 47 47 ARG CA C 13 60.458 0.075 . 1 . . . . . 47 ARG CA . 27869 1 463 . 1 1 47 47 ARG CB C 13 31.161 0.103 . 1 . . . . . 47 ARG CB . 27869 1 464 . 1 1 47 47 ARG CG C 13 28.181 0.061 . 1 . . . . . 47 ARG CG . 27869 1 465 . 1 1 47 47 ARG CD C 13 44.218 0.056 . 1 . . . . . 47 ARG CD . 27869 1 466 . 1 1 47 47 ARG N N 15 127.403 0.067 . 1 . . . . . 47 ARG N . 27869 1 467 . 1 1 48 48 MET H H 1 11.248 0.005 . 1 . . . . . 48 MET HN . 27869 1 468 . 1 1 48 48 MET HA H 1 5.737 0.002 . 1 . . . . . 48 MET HA . 27869 1 469 . 1 1 48 48 MET HB2 H 1 3.787 0.000 . 2 . . . . . 48 MET HB2 . 27869 1 470 . 1 1 48 48 MET HB3 H 1 4.280 0.003 . 2 . . . . . 48 MET HB3 . 27869 1 471 . 1 1 48 48 MET HG2 H 1 4.067 0.002 . 2 . . . . . 48 MET HG2 . 27869 1 472 . 1 1 48 48 MET HG3 H 1 5.341 0.004 . 2 . . . . . 48 MET HG3 . 27869 1 473 . 1 1 48 48 MET C C 13 174.622 0.000 . 1 . . . . . 48 MET C . 27869 1 474 . 1 1 48 48 MET CA C 13 56.956 0.066 . 1 . . . . . 48 MET CA . 27869 1 475 . 1 1 48 48 MET CB C 13 39.804 0.046 . 1 . . . . . 48 MET CB . 27869 1 476 . 1 1 48 48 MET CG C 13 37.197 0.067 . 1 . . . . . 48 MET CG . 27869 1 477 . 1 1 48 48 MET N N 15 125.116 0.026 . 1 . . . . . 48 MET N . 27869 1 478 . 1 1 49 49 ASP H H 1 9.110 0.004 . 1 . . . . . 49 ASP HN . 27869 1 479 . 1 1 49 49 ASP HA H 1 4.556 0.001 . 1 . . . . . 49 ASP HA . 27869 1 480 . 1 1 49 49 ASP HB2 H 1 3.738 0.000 . 2 . . . . . 49 ASP HB2 . 27869 1 481 . 1 1 49 49 ASP HB3 H 1 3.912 0.000 . 2 . . . . . 49 ASP HB3 . 27869 1 482 . 1 1 49 49 ASP C C 13 175.558 0.005 . 1 . . . . . 49 ASP C . 27869 1 483 . 1 1 49 49 ASP CA C 13 55.813 0.065 . 1 . . . . . 49 ASP CA . 27869 1 484 . 1 1 49 49 ASP CB C 13 41.229 0.034 . 1 . . . . . 49 ASP CB . 27869 1 485 . 1 1 49 49 ASP N N 15 120.585 0.044 . 1 . . . . . 49 ASP N . 27869 1 486 . 1 1 50 50 THR H H 1 7.830 0.002 . 1 . . . . . 50 THR HN . 27869 1 487 . 1 1 50 50 THR HA H 1 5.156 0.001 . 1 . . . . . 50 THR HA . 27869 1 488 . 1 1 50 50 THR HB H 1 5.322 0.004 . 1 . . . . . 50 THR HB . 27869 1 489 . 1 1 50 50 THR C C 13 173.861 0.022 . 1 . . . . . 50 THR C . 27869 1 490 . 1 1 50 50 THR CA C 13 60.323 0.032 . 1 . . . . . 50 THR CA . 27869 1 491 . 1 1 50 50 THR CB C 13 72.829 0.059 . 1 . . . . . 50 THR CB . 27869 1 492 . 1 1 50 50 THR N N 15 108.941 0.037 . 1 . . . . . 50 THR N . 27869 1 493 . 1 1 51 51 TYR H H 1 9.049 0.004 . 1 . . . . . 51 TYR HN . 27869 1 494 . 1 1 51 51 TYR HA H 1 3.607 0.001 . 1 . . . . . 51 TYR HA . 27869 1 495 . 1 1 51 51 TYR HB2 H 1 2.777 0.000 . 2 . . . . . 51 TYR HB2 . 27869 1 496 . 1 1 51 51 TYR HB3 H 1 2.860 0.001 . 2 . . . . . 51 TYR HB3 . 27869 1 497 . 1 1 51 51 TYR C C 13 176.397 0.016 . 1 . . . . . 51 TYR C . 27869 1 498 . 1 1 51 51 TYR CA C 13 62.082 0.042 . 1 . . . . . 51 TYR CA . 27869 1 499 . 1 1 51 51 TYR CB C 13 38.406 0.004 . 1 . . . . . 51 TYR CB . 27869 1 500 . 1 1 51 51 TYR N N 15 122.046 0.020 . 1 . . . . . 51 TYR N . 27869 1 501 . 1 1 52 52 SER H H 1 7.804 0.005 . 1 . . . . . 52 SER HN . 27869 1 502 . 1 1 52 52 SER HA H 1 4.120 0.001 . 1 . . . . . 52 SER HA . 27869 1 503 . 1 1 52 52 SER HB2 H 1 2.443 0.001 . 2 . . . . . 52 SER HB2 . 27869 1 504 . 1 1 52 52 SER HB3 H 1 3.059 0.000 . 2 . . . . . 52 SER HB3 . 27869 1 505 . 1 1 52 52 SER C C 13 175.288 0.008 . 1 . . . . . 52 SER C . 27869 1 506 . 1 1 52 52 SER CA C 13 64.343 0.030 . 1 . . . . . 52 SER CA . 27869 1 507 . 1 1 52 52 SER CB C 13 61.500 0.019 . 1 . . . . . 52 SER CB . 27869 1 508 . 1 1 52 52 SER N N 15 112.772 0.031 . 1 . . . . . 52 SER N . 27869 1 509 . 1 1 53 53 HIS H H 1 8.996 0.004 . 1 . . . . . 53 HIS HN . 27869 1 510 . 1 1 53 53 HIS HA H 1 4.472 0.000 . 1 . . . . . 53 HIS HA . 27869 1 511 . 1 1 53 53 HIS HB2 H 1 3.257 0.005 . 2 . . . . . 53 HIS HB2 . 27869 1 512 . 1 1 53 53 HIS C C 13 177.808 0.012 . 1 . . . . . 53 HIS C . 27869 1 513 . 1 1 53 53 HIS CA C 13 62.309 0.016 . 1 . . . . . 53 HIS CA . 27869 1 514 . 1 1 53 53 HIS CB C 13 31.044 0.115 . 1 . . . . . 53 HIS CB . 27869 1 515 . 1 1 53 53 HIS N N 15 117.820 0.023 . 1 . . . . . 53 HIS N . 27869 1 516 . 1 1 54 54 LEU H H 1 8.485 0.004 . 1 . . . . . 54 LEU HN . 27869 1 517 . 1 1 54 54 LEU HA H 1 3.794 0.002 . 1 . . . . . 54 LEU HA . 27869 1 518 . 1 1 54 54 LEU HB2 H 1 1.435 0.002 . 2 . . . . . 54 LEU HB2 . 27869 1 519 . 1 1 54 54 LEU C C 13 179.618 0.020 . 1 . . . . . 54 LEU C . 27869 1 520 . 1 1 54 54 LEU CA C 13 58.191 0.018 . 1 . . . . . 54 LEU CA . 27869 1 521 . 1 1 54 54 LEU CB C 13 31.869 0.005 . 1 . . . . . 54 LEU CB . 27869 1 522 . 1 1 54 54 LEU CG C 13 29.246 0.008 . 1 . . . . . 54 LEU CG . 27869 1 523 . 1 1 54 54 LEU N N 15 119.506 0.021 . 1 . . . . . 54 LEU N . 27869 1 524 . 1 1 55 55 ILE H H 1 8.562 0.003 . 1 . . . . . 55 ILE HN . 27869 1 525 . 1 1 55 55 ILE HA H 1 4.165 0.002 . 1 . . . . . 55 ILE HA . 27869 1 526 . 1 1 55 55 ILE HB H 1 2.305 0.001 . 1 . . . . . 55 ILE HB . 27869 1 527 . 1 1 55 55 ILE HG12 H 1 1.590 0.002 . 2 . . . . . 55 ILE HG12 . 27869 1 528 . 1 1 55 55 ILE HG13 H 1 1.653 0.003 . 2 . . . . . 55 ILE HG13 . 27869 1 529 . 1 1 55 55 ILE HG21 H 1 0.670 0.002 . 1 . . . . . 55 ILE QG2 . 27869 1 530 . 1 1 55 55 ILE HG22 H 1 0.670 0.002 . 1 . . . . . 55 ILE QG2 . 27869 1 531 . 1 1 55 55 ILE HG23 H 1 0.670 0.002 . 1 . . . . . 55 ILE QG2 . 27869 1 532 . 1 1 55 55 ILE HD11 H 1 0.629 0.002 . 1 . . . . . 55 ILE QD1 . 27869 1 533 . 1 1 55 55 ILE HD12 H 1 0.629 0.002 . 1 . . . . . 55 ILE QD1 . 27869 1 534 . 1 1 55 55 ILE HD13 H 1 0.629 0.002 . 1 . . . . . 55 ILE QD1 . 27869 1 535 . 1 1 55 55 ILE C C 13 177.495 0.005 . 1 . . . . . 55 ILE C . 27869 1 536 . 1 1 55 55 ILE CA C 13 65.719 0.083 . 1 . . . . . 55 ILE CA . 27869 1 537 . 1 1 55 55 ILE CB C 13 37.638 0.049 . 1 . . . . . 55 ILE CB . 27869 1 538 . 1 1 55 55 ILE CG1 C 13 24.013 0.023 . 1 . . . . . 55 ILE CG1 . 27869 1 539 . 1 1 55 55 ILE CG2 C 13 17.177 0.036 . 1 . . . . . 55 ILE CG2 . 27869 1 540 . 1 1 55 55 ILE CD1 C 13 13.655 0.052 . 1 . . . . . 55 ILE CD1 . 27869 1 541 . 1 1 55 55 ILE N N 15 110.419 0.022 . 1 . . . . . 55 ILE N . 27869 1 542 . 1 1 56 56 PHE H H 1 6.861 0.003 . 1 . . . . . 56 PHE HN . 27869 1 543 . 1 1 56 56 PHE HA H 1 4.411 0.000 . 1 . . . . . 56 PHE HA . 27869 1 544 . 1 1 56 56 PHE HB2 H 1 3.087 0.008 . 2 . . . . . 56 PHE HB2 . 27869 1 545 . 1 1 56 56 PHE HB3 H 1 3.238 0.000 . 2 . . . . . 56 PHE HB3 . 27869 1 546 . 1 1 56 56 PHE C C 13 172.346 0.010 . 1 . . . . . 56 PHE C . 27869 1 547 . 1 1 56 56 PHE CA C 13 58.711 0.049 . 1 . . . . . 56 PHE CA . 27869 1 548 . 1 1 56 56 PHE CB C 13 39.961 1.962 . 1 . . . . . 56 PHE CB . 27869 1 549 . 1 1 56 56 PHE N N 15 125.209 0.034 . 1 . . . . . 56 PHE N . 27869 1 550 . 1 1 57 57 TYR H H 1 7.258 0.005 . 1 . . . . . 57 TYR HN . 27869 1 551 . 1 1 57 57 TYR HA H 1 4.415 0.002 . 1 . . . . . 57 TYR HA . 27869 1 552 . 1 1 57 57 TYR HB2 H 1 2.586 0.004 . 2 . . . . . 57 TYR HB2 . 27869 1 553 . 1 1 57 57 TYR HB3 H 1 2.929 0.002 . 2 . . . . . 57 TYR HB3 . 27869 1 554 . 1 1 57 57 TYR C C 13 174.250 0.003 . 1 . . . . . 57 TYR C . 27869 1 555 . 1 1 57 57 TYR CA C 13 57.940 0.022 . 1 . . . . . 57 TYR CA . 27869 1 556 . 1 1 57 57 TYR CB C 13 37.538 0.044 . 1 . . . . . 57 TYR CB . 27869 1 557 . 1 1 57 57 TYR N N 15 111.492 0.022 . 1 . . . . . 57 TYR N . 27869 1 558 . 1 1 58 58 THR H H 1 7.647 0.002 . 1 . . . . . 58 THR HN . 27869 1 559 . 1 1 58 58 THR HA H 1 4.236 0.002 . 1 . . . . . 58 THR HA . 27869 1 560 . 1 1 58 58 THR HB H 1 3.614 0.001 . 1 . . . . . 58 THR HB . 27869 1 561 . 1 1 58 58 THR C C 13 173.421 0.018 . 1 . . . . . 58 THR C . 27869 1 562 . 1 1 58 58 THR CA C 13 59.208 0.039 . 1 . . . . . 58 THR CA . 27869 1 563 . 1 1 58 58 THR CB C 13 69.260 0.047 . 1 . . . . . 58 THR CB . 27869 1 564 . 1 1 58 58 THR N N 15 108.715 0.014 . 1 . . . . . 58 THR N . 27869 1 565 . 1 1 59 59 ALA H H 1 8.272 0.006 . 1 . . . . . 59 ALA HN . 27869 1 566 . 1 1 59 59 ALA HA H 1 3.689 0.001 . 1 . . . . . 59 ALA HA . 27869 1 567 . 1 1 59 59 ALA HB1 H 1 -0.569 0.002 . 1 . . . . . 59 ALA QB . 27869 1 568 . 1 1 59 59 ALA HB2 H 1 -0.569 0.002 . 1 . . . . . 59 ALA QB . 27869 1 569 . 1 1 59 59 ALA HB3 H 1 -0.569 0.002 . 1 . . . . . 59 ALA QB . 27869 1 570 . 1 1 59 59 ALA C C 13 175.820 0.026 . 1 . . . . . 59 ALA C . 27869 1 571 . 1 1 59 59 ALA CA C 13 53.800 0.044 . 1 . . . . . 59 ALA CA . 27869 1 572 . 1 1 59 59 ALA CB C 13 17.015 0.033 . 1 . . . . . 59 ALA CB . 27869 1 573 . 1 1 59 59 ALA N N 15 124.788 0.057 . 1 . . . . . 59 ALA N . 27869 1 574 . 1 1 60 60 TRP H H 1 6.055 0.002 . 1 . . . . . 60 TRP HN . 27869 1 575 . 1 1 60 60 TRP HA H 1 3.570 0.001 . 1 . . . . . 60 TRP HA . 27869 1 576 . 1 1 60 60 TRP HB2 H 1 2.895 0.000 . 2 . . . . . 60 TRP HB2 . 27869 1 577 . 1 1 60 60 TRP C C 13 170.867 0.000 . 1 . . . . . 60 TRP C . 27869 1 578 . 1 1 60 60 TRP CA C 13 54.776 0.018 . 1 . . . . . 60 TRP CA . 27869 1 579 . 1 1 60 60 TRP CB C 13 29.615 0.016 . 1 . . . . . 60 TRP CB . 27869 1 580 . 1 1 60 60 TRP N N 15 116.172 0.045 . 1 . . . . . 60 TRP N . 27869 1 581 . 1 1 61 61 PRO HA H 1 2.736 0.001 . 1 . . . . . 61 PRO HA . 27869 1 582 . 1 1 61 61 PRO HB2 H 1 0.456 0.005 . 2 . . . . . 61 PRO HB2 . 27869 1 583 . 1 1 61 61 PRO HB3 H 1 0.651 0.002 . 2 . . . . . 61 PRO HB3 . 27869 1 584 . 1 1 61 61 PRO HG2 H 1 -1.042 0.000 . 2 . . . . . 61 PRO HG2 . 27869 1 585 . 1 1 61 61 PRO HG3 H 1 0.300 0.000 . 2 . . . . . 61 PRO HG3 . 27869 1 586 . 1 1 61 61 PRO HD2 H 1 0.851 0.008 . 2 . . . . . 61 PRO HD2 . 27869 1 587 . 1 1 61 61 PRO HD3 H 1 2.583 0.007 . 2 . . . . . 61 PRO HD3 . 27869 1 588 . 1 1 61 61 PRO C C 13 178.186 0.000 . 1 . . . . . 61 PRO C . 27869 1 589 . 1 1 61 61 PRO CA C 13 61.936 0.065 . 1 . . . . . 61 PRO CA . 27869 1 590 . 1 1 61 61 PRO CB C 13 33.184 0.105 . 1 . . . . . 61 PRO CB . 27869 1 591 . 1 1 61 61 PRO CG C 13 24.307 0.081 . 1 . . . . . 61 PRO CG . 27869 1 592 . 1 1 61 61 PRO CD C 13 49.498 0.040 . 1 . . . . . 61 PRO CD . 27869 1 593 . 1 1 62 62 ASP H H 1 7.362 0.003 . 1 . . . . . 62 ASP HN . 27869 1 594 . 1 1 62 62 ASP HA H 1 4.546 0.000 . 1 . . . . . 62 ASP HA . 27869 1 595 . 1 1 62 62 ASP HB2 H 1 1.593 0.000 . 2 . . . . . 62 ASP HB2 . 27869 1 596 . 1 1 62 62 ASP HB3 H 1 2.432 0.006 . 2 . . . . . 62 ASP HB3 . 27869 1 597 . 1 1 62 62 ASP C C 13 173.423 0.000 . 1 . . . . . 62 ASP C . 27869 1 598 . 1 1 62 62 ASP CA C 13 49.331 0.039 . 1 . . . . . 62 ASP CA . 27869 1 599 . 1 1 62 62 ASP CB C 13 34.975 0.006 . 1 . . . . . 62 ASP CB . 27869 1 600 . 1 1 62 62 ASP N N 15 119.697 0.031 . 1 . . . . . 62 ASP N . 27869 1 601 . 1 1 63 63 THR H H 1 6.931 0.004 . 1 . . . . . 63 THR HN . 27869 1 602 . 1 1 63 63 THR HA H 1 3.301 0.003 . 1 . . . . . 63 THR HA . 27869 1 603 . 1 1 63 63 THR HB H 1 3.596 0.000 . 1 . . . . . 63 THR HB . 27869 1 604 . 1 1 63 63 THR C C 13 177.112 0.005 . 1 . . . . . 63 THR C . 27869 1 605 . 1 1 63 63 THR CA C 13 63.392 0.056 . 1 . . . . . 63 THR CA . 27869 1 606 . 1 1 63 63 THR CB C 13 69.777 0.082 . 1 . . . . . 63 THR CB . 27869 1 607 . 1 1 63 63 THR N N 15 112.672 0.022 . 1 . . . . . 63 THR N . 27869 1 608 . 1 1 64 64 GLY H H 1 9.352 0.003 . 1 . . . . . 64 GLY HN . 27869 1 609 . 1 1 64 64 GLY HA2 H 1 3.863 0.000 . 2 . . . . . 64 GLY HA1 . 27869 1 610 . 1 1 64 64 GLY C C 13 173.484 0.050 . 1 . . . . . 64 GLY C . 27869 1 611 . 1 1 64 64 GLY CA C 13 46.222 0.038 . 1 . . . . . 64 GLY CA . 27869 1 612 . 1 1 64 64 GLY N N 15 114.301 0.031 . 1 . . . . . 64 GLY N . 27869 1 613 . 1 1 65 65 ALA H H 1 7.551 0.001 . 1 . . . . . 65 ALA HN . 27869 1 614 . 1 1 65 65 ALA HA H 1 3.580 0.001 . 1 . . . . . 65 ALA HA . 27869 1 615 . 1 1 65 65 ALA HB1 H 1 1.344 0.002 . 1 . . . . . 65 ALA QB . 27869 1 616 . 1 1 65 65 ALA HB2 H 1 1.344 0.002 . 1 . . . . . 65 ALA QB . 27869 1 617 . 1 1 65 65 ALA HB3 H 1 1.344 0.002 . 1 . . . . . 65 ALA QB . 27869 1 618 . 1 1 65 65 ALA C C 13 179.105 0.020 . 1 . . . . . 65 ALA C . 27869 1 619 . 1 1 65 65 ALA CA C 13 55.869 0.057 . 1 . . . . . 65 ALA CA . 27869 1 620 . 1 1 65 65 ALA CB C 13 19.876 0.031 . 1 . . . . . 65 ALA CB . 27869 1 621 . 1 1 65 65 ALA N N 15 126.993 0.039 . 1 . . . . . 65 ALA N . 27869 1 622 . 1 1 66 66 LEU H H 1 9.117 0.006 . 1 . . . . . 66 LEU HN . 27869 1 623 . 1 1 66 66 LEU HA H 1 2.282 0.002 . 1 . . . . . 66 LEU HA . 27869 1 624 . 1 1 66 66 LEU HB2 H 1 0.672 0.001 . 2 . . . . . 66 LEU HB2 . 27869 1 625 . 1 1 66 66 LEU HB3 H 1 1.242 0.004 . 2 . . . . . 66 LEU HB3 . 27869 1 626 . 1 1 66 66 LEU HG H 1 0.527 0.003 . 1 . . . . . 66 LEU HG . 27869 1 627 . 1 1 66 66 LEU HD11 H 1 -0.575 0.000 . 1 . . . . . 66 LEU QD1 . 27869 1 628 . 1 1 66 66 LEU HD12 H 1 -0.575 0.000 . 1 . . . . . 66 LEU QD1 . 27869 1 629 . 1 1 66 66 LEU HD13 H 1 -0.575 0.000 . 1 . . . . . 66 LEU QD1 . 27869 1 630 . 1 1 66 66 LEU HD21 H 1 -0.577 0.001 . 1 . . . . . 66 LEU QD2 . 27869 1 631 . 1 1 66 66 LEU HD22 H 1 -0.577 0.001 . 1 . . . . . 66 LEU QD2 . 27869 1 632 . 1 1 66 66 LEU HD23 H 1 -0.577 0.001 . 1 . . . . . 66 LEU QD2 . 27869 1 633 . 1 1 66 66 LEU C C 13 175.714 0.021 . 1 . . . . . 66 LEU C . 27869 1 634 . 1 1 66 66 LEU CA C 13 57.251 0.036 . 1 . . . . . 66 LEU CA . 27869 1 635 . 1 1 66 66 LEU CB C 13 41.718 0.046 . 1 . . . . . 66 LEU CB . 27869 1 636 . 1 1 66 66 LEU CG C 13 25.684 0.026 . 1 . . . . . 66 LEU CG . 27869 1 637 . 1 1 66 66 LEU CD1 C 13 23.606 0.094 . 2 . . . . . 66 LEU CD1 . 27869 1 638 . 1 1 66 66 LEU CD2 C 13 23.608 0.100 . 2 . . . . . 66 LEU CD2 . 27869 1 639 . 1 1 66 66 LEU N N 15 115.900 0.017 . 1 . . . . . 66 LEU N . 27869 1 640 . 1 1 67 67 MET H H 1 6.350 0.004 . 1 . . . . . 67 MET HN . 27869 1 641 . 1 1 67 67 MET HA H 1 2.614 0.001 . 1 . . . . . 67 MET HA . 27869 1 642 . 1 1 67 67 MET HB2 H 1 0.071 0.003 . 2 . . . . . 67 MET HB2 . 27869 1 643 . 1 1 67 67 MET HB3 H 1 1.421 0.007 . 2 . . . . . 67 MET HB3 . 27869 1 644 . 1 1 67 67 MET HG2 H 1 1.298 0.002 . 2 . . . . . 67 MET HG2 . 27869 1 645 . 1 1 67 67 MET HG3 H 1 1.539 0.002 . 2 . . . . . 67 MET HG3 . 27869 1 646 . 1 1 67 67 MET C C 13 176.559 0.014 . 1 . . . . . 67 MET C . 27869 1 647 . 1 1 67 67 MET CA C 13 58.622 0.044 . 1 . . . . . 67 MET CA . 27869 1 648 . 1 1 67 67 MET CB C 13 32.255 0.057 . 1 . . . . . 67 MET CB . 27869 1 649 . 1 1 67 67 MET CG C 13 36.368 0.028 . 1 . . . . . 67 MET CG . 27869 1 650 . 1 1 67 67 MET N N 15 112.577 0.032 . 1 . . . . . 67 MET N . 27869 1 651 . 1 1 68 68 ARG H H 1 8.381 0.002 . 1 . . . . . 68 ARG HN . 27869 1 652 . 1 1 68 68 ARG HA H 1 3.853 0.004 . 1 . . . . . 68 ARG HA . 27869 1 653 . 1 1 68 68 ARG C C 13 180.840 0.015 . 1 . . . . . 68 ARG C . 27869 1 654 . 1 1 68 68 ARG CA C 13 59.842 0.062 . 1 . . . . . 68 ARG CA . 27869 1 655 . 1 1 68 68 ARG CB C 13 31.111 0.000 . 1 . . . . . 68 ARG CB . 27869 1 656 . 1 1 68 68 ARG CG C 13 28.730 0.000 . 1 . . . . . 68 ARG CG . 27869 1 657 . 1 1 68 68 ARG N N 15 115.719 0.029 . 1 . . . . . 68 ARG N . 27869 1 658 . 1 1 69 69 ARG H H 1 8.063 0.003 . 1 . . . . . 69 ARG HN . 27869 1 659 . 1 1 69 69 ARG C C 13 177.831 0.020 . 1 . . . . . 69 ARG C . 27869 1 660 . 1 1 69 69 ARG CA C 13 56.470 0.017 . 1 . . . . . 69 ARG CA . 27869 1 661 . 1 1 69 69 ARG CB C 13 30.232 0.000 . 1 . . . . . 69 ARG CB . 27869 1 662 . 1 1 69 69 ARG N N 15 110.545 0.038 . 1 . . . . . 69 ARG N . 27869 1 663 . 1 1 70 70 LEU H H 1 7.241 0.006 . 1 . . . . . 70 LEU HN . 27869 1 664 . 1 1 70 70 LEU HA H 1 4.550 0.003 . 1 . . . . . 70 LEU HA . 27869 1 665 . 1 1 70 70 LEU HB2 H 1 1.418 0.002 . 2 . . . . . 70 LEU HB2 . 27869 1 666 . 1 1 70 70 LEU HB3 H 1 1.714 0.002 . 2 . . . . . 70 LEU HB3 . 27869 1 667 . 1 1 70 70 LEU HG H 1 -0.977 0.001 . 1 . . . . . 70 LEU HG . 27869 1 668 . 1 1 70 70 LEU HD11 H 1 -0.894 0.002 . 1 . . . . . 70 LEU QD1 . 27869 1 669 . 1 1 70 70 LEU HD12 H 1 -0.894 0.002 . 1 . . . . . 70 LEU QD1 . 27869 1 670 . 1 1 70 70 LEU HD13 H 1 -0.894 0.002 . 1 . . . . . 70 LEU QD1 . 27869 1 671 . 1 1 70 70 LEU HD21 H 1 -0.893 0.000 . 1 . . . . . 70 LEU QD2 . 27869 1 672 . 1 1 70 70 LEU HD22 H 1 -0.893 0.000 . 1 . . . . . 70 LEU QD2 . 27869 1 673 . 1 1 70 70 LEU HD23 H 1 -0.893 0.000 . 1 . . . . . 70 LEU QD2 . 27869 1 674 . 1 1 70 70 LEU C C 13 174.186 0.000 . 1 . . . . . 70 LEU C . 27869 1 675 . 1 1 70 70 LEU CA C 13 54.005 0.076 . 1 . . . . . 70 LEU CA . 27869 1 676 . 1 1 70 70 LEU CB C 13 41.657 0.049 . 1 . . . . . 70 LEU CB . 27869 1 677 . 1 1 70 70 LEU CG C 13 24.262 0.098 . 1 . . . . . 70 LEU CG . 27869 1 678 . 1 1 70 70 LEU CD1 C 13 20.864 0.051 . 2 . . . . . 70 LEU CD1 . 27869 1 679 . 1 1 70 70 LEU CD2 C 13 20.875 0.049 . 2 . . . . . 70 LEU CD2 . 27869 1 680 . 1 1 70 70 LEU N N 15 115.096 0.046 . 1 . . . . . 70 LEU N . 27869 1 681 . 1 1 71 71 ASP H H 1 7.249 0.003 . 1 . . . . . 71 ASP HN . 27869 1 682 . 1 1 71 71 ASP HA H 1 4.515 0.001 . 1 . . . . . 71 ASP HA . 27869 1 683 . 1 1 71 71 ASP HB2 H 1 2.741 0.002 . 2 . . . . . 71 ASP HB2 . 27869 1 684 . 1 1 71 71 ASP HB3 H 1 3.665 0.001 . 2 . . . . . 71 ASP HB3 . 27869 1 685 . 1 1 71 71 ASP C C 13 175.423 0.025 . 1 . . . . . 71 ASP C . 27869 1 686 . 1 1 71 71 ASP CA C 13 58.343 0.039 . 1 . . . . . 71 ASP CA . 27869 1 687 . 1 1 71 71 ASP CB C 13 44.182 0.029 . 1 . . . . . 71 ASP CB . 27869 1 688 . 1 1 71 71 ASP N N 15 115.082 0.059 . 1 . . . . . 71 ASP N . 27869 1 689 . 1 1 72 72 ASP H H 1 7.111 0.003 . 1 . . . . . 72 ASP HN . 27869 1 690 . 1 1 72 72 ASP HA H 1 3.410 0.000 . 1 . . . . . 72 ASP HA . 27869 1 691 . 1 1 72 72 ASP HB2 H 1 2.224 0.002 . 2 . . . . . 72 ASP HB2 . 27869 1 692 . 1 1 72 72 ASP HB3 H 1 2.651 0.002 . 2 . . . . . 72 ASP HB3 . 27869 1 693 . 1 1 72 72 ASP C C 13 175.810 0.004 . 1 . . . . . 72 ASP C . 27869 1 694 . 1 1 72 72 ASP CA C 13 53.662 0.052 . 1 . . . . . 72 ASP CA . 27869 1 695 . 1 1 72 72 ASP CB C 13 40.338 0.050 . 1 . . . . . 72 ASP CB . 27869 1 696 . 1 1 72 72 ASP N N 15 118.569 0.031 . 1 . . . . . 72 ASP N . 27869 1 697 . 1 1 73 73 GLY H H 1 8.614 0.002 . 1 . . . . . 73 GLY HN . 27869 1 698 . 1 1 73 73 GLY HA2 H 1 4.202 0.000 . 2 . . . . . 73 GLY HA1 . 27869 1 699 . 1 1 73 73 GLY HA3 H 1 3.463 0.000 . 2 . . . . . 73 GLY HA2 . 27869 1 700 . 1 1 73 73 GLY C C 13 175.116 0.000 . 1 . . . . . 73 GLY C . 27869 1 701 . 1 1 73 73 GLY CA C 13 44.098 0.030 . 1 . . . . . 73 GLY CA . 27869 1 702 . 1 1 73 73 GLY N N 15 109.478 0.015 . 1 . . . . . 73 GLY N . 27869 1 703 . 1 1 74 74 LYS H H 1 8.077 0.003 . 1 . . . . . 74 LYS HN . 27869 1 704 . 1 1 74 74 LYS HA H 1 4.139 0.002 . 1 . . . . . 74 LYS HA . 27869 1 705 . 1 1 74 74 LYS HG2 H 1 1.395 0.001 . 2 . . . . . 74 LYS HG2 . 27869 1 706 . 1 1 74 74 LYS HG3 H 1 1.600 0.061 . 2 . . . . . 74 LYS HG3 . 27869 1 707 . 1 1 74 74 LYS HD2 H 1 1.736 0.002 . 2 . . . . . 74 LYS HD2 . 27869 1 708 . 1 1 74 74 LYS HE2 H 1 3.016 0.002 . 2 . . . . . 74 LYS HE2 . 27869 1 709 . 1 1 74 74 LYS C C 13 177.866 0.015 . 1 . . . . . 74 LYS C . 27869 1 710 . 1 1 74 74 LYS CA C 13 58.708 0.055 . 1 . . . . . 74 LYS CA . 27869 1 711 . 1 1 74 74 LYS CB C 13 32.368 0.104 . 1 . . . . . 74 LYS CB . 27869 1 712 . 1 1 74 74 LYS CG C 13 25.721 0.068 . 1 . . . . . 74 LYS CG . 27869 1 713 . 1 1 74 74 LYS CD C 13 28.673 0.020 . 1 . . . . . 74 LYS CD . 27869 1 714 . 1 1 74 74 LYS CE C 13 42.073 0.038 . 1 . . . . . 74 LYS CE . 27869 1 715 . 1 1 74 74 LYS N N 15 120.152 0.020 . 1 . . . . . 74 LYS N . 27869 1 716 . 1 1 75 75 ASN H H 1 9.205 0.003 . 1 . . . . . 75 ASN HN . 27869 1 717 . 1 1 75 75 ASN HA H 1 5.104 0.000 . 1 . . . . . 75 ASN HA . 27869 1 718 . 1 1 75 75 ASN HB2 H 1 2.892 0.000 . 2 . . . . . 75 ASN HB2 . 27869 1 719 . 1 1 75 75 ASN HB3 H 1 3.025 0.000 . 2 . . . . . 75 ASN HB3 . 27869 1 720 . 1 1 75 75 ASN C C 13 174.054 0.012 . 1 . . . . . 75 ASN C . 27869 1 721 . 1 1 75 75 ASN CA C 13 52.961 0.019 . 1 . . . . . 75 ASN CA . 27869 1 722 . 1 1 75 75 ASN CB C 13 40.908 0.051 . 1 . . . . . 75 ASN CB . 27869 1 723 . 1 1 75 75 ASN N N 15 114.183 0.025 . 1 . . . . . 75 ASN N . 27869 1 724 . 1 1 76 76 SER H H 1 7.350 0.003 . 1 . . . . . 76 SER HN . 27869 1 725 . 1 1 76 76 SER HA H 1 4.642 0.001 . 1 . . . . . 76 SER HA . 27869 1 726 . 1 1 76 76 SER HB2 H 1 4.121 0.000 . 2 . . . . . 76 SER HB2 . 27869 1 727 . 1 1 76 76 SER HB3 H 1 4.221 0.000 . 2 . . . . . 76 SER HB3 . 27869 1 728 . 1 1 76 76 SER C C 13 175.746 0.000 . 1 . . . . . 76 SER C . 27869 1 729 . 1 1 76 76 SER CA C 13 57.055 0.082 . 1 . . . . . 76 SER CA . 27869 1 730 . 1 1 76 76 SER CB C 13 65.414 0.019 . 1 . . . . . 76 SER CB . 27869 1 731 . 1 1 76 76 SER N N 15 114.934 0.043 . 1 . . . . . 76 SER N . 27869 1 732 . 1 1 77 77 LYS H H 1 8.384 0.000 . 1 . . . . . 77 LYS HN . 27869 1 733 . 1 1 77 77 LYS HA H 1 4.187 0.002 . 1 . . . . . 77 LYS HA . 27869 1 734 . 1 1 77 77 LYS HB2 H 1 1.921 0.004 . 2 . . . . . 77 LYS HB2 . 27869 1 735 . 1 1 77 77 LYS HB3 H 1 1.963 0.002 . 2 . . . . . 77 LYS HB3 . 27869 1 736 . 1 1 77 77 LYS HG2 H 1 1.561 0.000 . 2 . . . . . 77 LYS HG2 . 27869 1 737 . 1 1 77 77 LYS HD2 H 1 1.777 0.003 . 2 . . . . . 77 LYS HD2 . 27869 1 738 . 1 1 77 77 LYS HE2 H 1 3.080 0.002 . 2 . . . . . 77 LYS HE2 . 27869 1 739 . 1 1 77 77 LYS C C 13 177.100 0.000 . 1 . . . . . 77 LYS C . 27869 1 740 . 1 1 77 77 LYS CA C 13 58.691 0.040 . 1 . . . . . 77 LYS CA . 27869 1 741 . 1 1 77 77 LYS CB C 13 31.965 0.056 . 1 . . . . . 77 LYS CB . 27869 1 742 . 1 1 77 77 LYS CG C 13 24.484 0.027 . 1 . . . . . 77 LYS CG . 27869 1 743 . 1 1 77 77 LYS CD C 13 28.919 0.035 . 1 . . . . . 77 LYS CD . 27869 1 744 . 1 1 77 77 LYS CE C 13 42.017 0.054 . 1 . . . . . 77 LYS CE . 27869 1 745 . 1 1 77 77 LYS N N 15 124.216 0.000 . 1 . . . . . 77 LYS N . 27869 1 746 . 1 1 78 78 ASP H H 1 8.340 0.003 . 1 . . . . . 78 ASP HN . 27869 1 747 . 1 1 78 78 ASP HA H 1 4.675 0.001 . 1 . . . . . 78 ASP HA . 27869 1 748 . 1 1 78 78 ASP HB2 H 1 2.782 0.000 . 2 . . . . . 78 ASP HB2 . 27869 1 749 . 1 1 78 78 ASP HB3 H 1 3.038 0.002 . 2 . . . . . 78 ASP HB3 . 27869 1 750 . 1 1 78 78 ASP C C 13 175.234 0.008 . 1 . . . . . 78 ASP C . 27869 1 751 . 1 1 78 78 ASP CA C 13 53.405 0.018 . 1 . . . . . 78 ASP CA . 27869 1 752 . 1 1 78 78 ASP CB C 13 40.273 0.030 . 1 . . . . . 78 ASP CB . 27869 1 753 . 1 1 78 78 ASP N N 15 116.891 0.025 . 1 . . . . . 78 ASP N . 27869 1 754 . 1 1 79 79 ALA H H 1 7.882 0.003 . 1 . . . . . 79 ALA HN . 27869 1 755 . 1 1 79 79 ALA HA H 1 4.584 0.002 . 1 . . . . . 79 ALA HA . 27869 1 756 . 1 1 79 79 ALA HB1 H 1 1.558 0.000 . 1 . . . . . 79 ALA QB . 27869 1 757 . 1 1 79 79 ALA HB2 H 1 1.558 0.000 . 1 . . . . . 79 ALA QB . 27869 1 758 . 1 1 79 79 ALA HB3 H 1 1.558 0.000 . 1 . . . . . 79 ALA QB . 27869 1 759 . 1 1 79 79 ALA C C 13 176.373 0.017 . 1 . . . . . 79 ALA C . 27869 1 760 . 1 1 79 79 ALA CA C 13 52.875 0.046 . 1 . . . . . 79 ALA CA . 27869 1 761 . 1 1 79 79 ALA CB C 13 16.761 0.075 . 1 . . . . . 79 ALA CB . 27869 1 762 . 1 1 79 79 ALA N N 15 118.333 0.026 . 1 . . . . . 79 ALA N . 27869 1 763 . 1 1 80 80 LYS H H 1 7.752 0.004 . 1 . . . . . 80 LYS HN . 27869 1 764 . 1 1 80 80 LYS HA H 1 5.015 0.001 . 1 . . . . . 80 LYS HA . 27869 1 765 . 1 1 80 80 LYS HB2 H 1 1.974 0.002 . 2 . . . . . 80 LYS HB2 . 27869 1 766 . 1 1 80 80 LYS HB3 H 1 2.099 0.002 . 2 . . . . . 80 LYS HB3 . 27869 1 767 . 1 1 80 80 LYS HG2 H 1 1.689 0.000 . 2 . . . . . 80 LYS HG2 . 27869 1 768 . 1 1 80 80 LYS HD2 H 1 1.959 0.001 . 2 . . . . . 80 LYS HD2 . 27869 1 769 . 1 1 80 80 LYS HE2 H 1 3.274 0.002 . 2 . . . . . 80 LYS HE2 . 27869 1 770 . 1 1 80 80 LYS C C 13 174.812 0.000 . 1 . . . . . 80 LYS C . 27869 1 771 . 1 1 80 80 LYS CA C 13 53.593 0.042 . 1 . . . . . 80 LYS CA . 27869 1 772 . 1 1 80 80 LYS CB C 13 32.879 0.037 . 1 . . . . . 80 LYS CB . 27869 1 773 . 1 1 80 80 LYS CG C 13 24.621 0.028 . 1 . . . . . 80 LYS CG . 27869 1 774 . 1 1 80 80 LYS CD C 13 29.174 0.040 . 1 . . . . . 80 LYS CD . 27869 1 775 . 1 1 80 80 LYS CE C 13 42.396 0.065 . 1 . . . . . 80 LYS CE . 27869 1 776 . 1 1 80 80 LYS N N 15 119.074 0.034 . 1 . . . . . 80 LYS N . 27869 1 777 . 1 1 81 81 PRO HA H 1 4.550 0.000 . 1 . . . . . 81 PRO HA . 27869 1 778 . 1 1 81 81 PRO HB2 H 1 2.534 0.002 . 2 . . . . . 81 PRO HB2 . 27869 1 779 . 1 1 81 81 PRO HB3 H 1 2.693 0.003 . 2 . . . . . 81 PRO HB3 . 27869 1 780 . 1 1 81 81 PRO HG2 H 1 2.292 0.002 . 2 . . . . . 81 PRO HG2 . 27869 1 781 . 1 1 81 81 PRO HG3 H 1 2.534 0.002 . 2 . . . . . 81 PRO HG3 . 27869 1 782 . 1 1 81 81 PRO HD2 H 1 4.047 0.001 . 2 . . . . . 81 PRO HD2 . 27869 1 783 . 1 1 81 81 PRO HD3 H 1 4.236 0.003 . 2 . . . . . 81 PRO HD3 . 27869 1 784 . 1 1 81 81 PRO C C 13 179.110 0.010 . 1 . . . . . 81 PRO C . 27869 1 785 . 1 1 81 81 PRO CA C 13 62.716 0.023 . 1 . . . . . 81 PRO CA . 27869 1 786 . 1 1 81 81 PRO CB C 13 32.681 0.042 . 1 . . . . . 81 PRO CB . 27869 1 787 . 1 1 81 81 PRO CG C 13 27.289 0.024 . 1 . . . . . 81 PRO CG . 27869 1 788 . 1 1 81 81 PRO CD C 13 51.020 0.015 . 1 . . . . . 81 PRO CD . 27869 1 789 . 1 1 82 82 GLY H H 1 9.770 0.006 . 1 . . . . . 82 GLY HN . 27869 1 790 . 1 1 82 82 GLY HA2 H 1 3.484 0.000 . 2 . . . . . 82 GLY HA1 . 27869 1 791 . 1 1 82 82 GLY HA3 H 1 5.114 0.000 . 2 . . . . . 82 GLY HA2 . 27869 1 792 . 1 1 82 82 GLY C C 13 178.250 0.014 . 1 . . . . . 82 GLY C . 27869 1 793 . 1 1 82 82 GLY CA C 13 46.209 0.046 . 1 . . . . . 82 GLY CA . 27869 1 794 . 1 1 82 82 GLY N N 15 110.157 0.025 . 1 . . . . . 82 GLY N . 27869 1 795 . 1 1 83 83 ASN H H 1 10.746 0.007 . 1 . . . . . 83 ASN HN . 27869 1 796 . 1 1 83 83 ASN HA H 1 6.772 0.000 . 1 . . . . . 83 ASN HA . 27869 1 797 . 1 1 83 83 ASN HB2 H 1 4.644 0.000 . 2 . . . . . 83 ASN HB2 . 27869 1 798 . 1 1 83 83 ASN HB3 H 1 5.806 0.000 . 2 . . . . . 83 ASN HB3 . 27869 1 799 . 1 1 83 83 ASN C C 13 181.502 0.033 . 1 . . . . . 83 ASN C . 27869 1 800 . 1 1 83 83 ASN CA C 13 57.591 0.039 . 1 . . . . . 83 ASN CA . 27869 1 801 . 1 1 83 83 ASN CB C 13 40.235 0.088 . 1 . . . . . 83 ASN CB . 27869 1 802 . 1 1 83 83 ASN N N 15 122.285 0.031 . 1 . . . . . 83 ASN N . 27869 1 803 . 1 1 84 84 MET H H 1 12.376 0.003 . 1 . . . . . 84 MET HN . 27869 1 804 . 1 1 84 84 MET C C 13 178.550 0.000 . 1 . . . . . 84 MET C . 27869 1 805 . 1 1 84 84 MET CA C 13 60.705 0.035 . 1 . . . . . 84 MET CA . 27869 1 806 . 1 1 84 84 MET N N 15 118.397 0.006 . 1 . . . . . 84 MET N . 27869 1 807 . 1 1 85 85 TYR H H 1 9.670 0.004 . 1 . . . . . 85 TYR HN . 27869 1 808 . 1 1 85 85 TYR HA H 1 4.438 0.001 . 1 . . . . . 85 TYR HA . 27869 1 809 . 1 1 85 85 TYR HB2 H 1 3.808 0.006 . 2 . . . . . 85 TYR HB2 . 27869 1 810 . 1 1 85 85 TYR HB3 H 1 3.909 0.002 . 2 . . . . . 85 TYR HB3 . 27869 1 811 . 1 1 85 85 TYR C C 13 178.148 0.016 . 1 . . . . . 85 TYR C . 27869 1 812 . 1 1 85 85 TYR CA C 13 62.429 0.053 . 1 . . . . . 85 TYR CA . 27869 1 813 . 1 1 85 85 TYR CB C 13 39.033 0.087 . 1 . . . . . 85 TYR CB . 27869 1 814 . 1 1 85 85 TYR N N 15 127.473 0.073 . 1 . . . . . 85 TYR N . 27869 1 815 . 1 1 86 86 ARG H H 1 10.274 0.002 . 1 . . . . . 86 ARG HN . 27869 1 816 . 1 1 86 86 ARG HA H 1 4.299 0.001 . 1 . . . . . 86 ARG HA . 27869 1 817 . 1 1 86 86 ARG HB2 H 1 2.520 0.003 . 2 . . . . . 86 ARG HB2 . 27869 1 818 . 1 1 86 86 ARG HB3 H 1 2.636 0.003 . 2 . . . . . 86 ARG HB3 . 27869 1 819 . 1 1 86 86 ARG HG2 H 1 1.767 0.002 . 2 . . . . . 86 ARG HG2 . 27869 1 820 . 1 1 86 86 ARG HG3 H 1 2.911 0.000 . 2 . . . . . 86 ARG HG3 . 27869 1 821 . 1 1 86 86 ARG HD2 H 1 4.070 0.003 . 2 . . . . . 86 ARG HD2 . 27869 1 822 . 1 1 86 86 ARG HD3 H 1 4.106 0.003 . 2 . . . . . 86 ARG HD3 . 27869 1 823 . 1 1 86 86 ARG CA C 13 57.882 0.047 . 1 . . . . . 86 ARG CA . 27869 1 824 . 1 1 86 86 ARG CB C 13 29.633 0.116 . 1 . . . . . 86 ARG CB . 27869 1 825 . 1 1 86 86 ARG CG C 13 26.024 0.037 . 1 . . . . . 86 ARG CG . 27869 1 826 . 1 1 86 86 ARG CD C 13 44.318 0.028 . 1 . . . . . 86 ARG CD . 27869 1 827 . 1 1 86 86 ARG N N 15 115.123 0.027 . 1 . . . . . 86 ARG N . 27869 1 828 . 1 1 87 87 HIS H H 1 8.462 0.005 . 1 . . . . . 87 HIS HN . 27869 1 829 . 1 1 87 87 HIS HA H 1 5.005 0.000 . 1 . . . . . 87 HIS HA . 27869 1 830 . 1 1 87 87 HIS HB2 H 1 2.807 0.004 . 2 . . . . . 87 HIS HB2 . 27869 1 831 . 1 1 87 87 HIS C C 13 175.937 0.004 . 1 . . . . . 87 HIS C . 27869 1 832 . 1 1 87 87 HIS CA C 13 56.791 0.046 . 1 . . . . . 87 HIS CA . 27869 1 833 . 1 1 87 87 HIS CB C 13 30.750 0.022 . 1 . . . . . 87 HIS CB . 27869 1 834 . 1 1 87 87 HIS N N 15 116.824 0.107 . 1 . . . . . 87 HIS N . 27869 1 835 . 1 1 88 88 LEU H H 1 8.251 0.004 . 1 . . . . . 88 LEU HN . 27869 1 836 . 1 1 88 88 LEU HA H 1 3.448 0.002 . 1 . . . . . 88 LEU HA . 27869 1 837 . 1 1 88 88 LEU HB2 H 1 1.519 0.003 . 2 . . . . . 88 LEU HB2 . 27869 1 838 . 1 1 88 88 LEU HB3 H 1 1.868 0.003 . 2 . . . . . 88 LEU HB3 . 27869 1 839 . 1 1 88 88 LEU HG H 1 0.968 0.001 . 1 . . . . . 88 LEU HG . 27869 1 840 . 1 1 88 88 LEU HD11 H 1 0.136 0.001 . 1 . . . . . 88 LEU QD1 . 27869 1 841 . 1 1 88 88 LEU HD12 H 1 0.136 0.001 . 1 . . . . . 88 LEU QD1 . 27869 1 842 . 1 1 88 88 LEU HD13 H 1 0.136 0.001 . 1 . . . . . 88 LEU QD1 . 27869 1 843 . 1 1 88 88 LEU HD21 H 1 0.136 0.001 . 1 . . . . . 88 LEU QD2 . 27869 1 844 . 1 1 88 88 LEU HD22 H 1 0.136 0.001 . 1 . . . . . 88 LEU QD2 . 27869 1 845 . 1 1 88 88 LEU HD23 H 1 0.136 0.001 . 1 . . . . . 88 LEU QD2 . 27869 1 846 . 1 1 88 88 LEU C C 13 173.964 0.009 . 1 . . . . . 88 LEU C . 27869 1 847 . 1 1 88 88 LEU CA C 13 55.903 0.078 . 1 . . . . . 88 LEU CA . 27869 1 848 . 1 1 88 88 LEU CB C 13 42.645 0.042 . 1 . . . . . 88 LEU CB . 27869 1 849 . 1 1 88 88 LEU CG C 13 26.397 0.106 . 1 . . . . . 88 LEU CG . 27869 1 850 . 1 1 88 88 LEU CD1 C 13 23.499 0.052 . 2 . . . . . 88 LEU CD1 . 27869 1 851 . 1 1 88 88 LEU CD2 C 13 23.497 0.047 . 2 . . . . . 88 LEU CD2 . 27869 1 852 . 1 1 88 88 LEU N N 15 117.813 0.028 . 1 . . . . . 88 LEU N . 27869 1 853 . 1 1 89 89 GLY H H 1 7.190 0.002 . 1 . . . . . 89 GLY HN . 27869 1 854 . 1 1 89 89 GLY HA2 H 1 3.631 0.000 . 2 . . . . . 89 GLY HA1 . 27869 1 855 . 1 1 89 89 GLY HA3 H 1 3.658 0.000 . 2 . . . . . 89 GLY HA2 . 27869 1 856 . 1 1 89 89 GLY C C 13 170.362 0.014 . 1 . . . . . 89 GLY C . 27869 1 857 . 1 1 89 89 GLY CA C 13 45.101 0.010 . 1 . . . . . 89 GLY CA . 27869 1 858 . 1 1 89 89 GLY N N 15 103.367 0.025 . 1 . . . . . 89 GLY N . 27869 1 859 . 1 1 90 90 ALA H H 1 9.143 0.004 . 1 . . . . . 90 ALA HN . 27869 1 860 . 1 1 90 90 ALA HA H 1 4.578 0.004 . 1 . . . . . 90 ALA HA . 27869 1 861 . 1 1 90 90 ALA HB1 H 1 1.601 0.000 . 1 . . . . . 90 ALA QB . 27869 1 862 . 1 1 90 90 ALA HB2 H 1 1.601 0.000 . 1 . . . . . 90 ALA QB . 27869 1 863 . 1 1 90 90 ALA HB3 H 1 1.601 0.000 . 1 . . . . . 90 ALA QB . 27869 1 864 . 1 1 90 90 ALA C C 13 177.322 0.057 . 1 . . . . . 90 ALA C . 27869 1 865 . 1 1 90 90 ALA CA C 13 52.829 0.020 . 1 . . . . . 90 ALA CA . 27869 1 866 . 1 1 90 90 ALA CB C 13 20.103 0.036 . 1 . . . . . 90 ALA CB . 27869 1 867 . 1 1 90 90 ALA N N 15 121.468 0.025 . 1 . . . . . 90 ALA N . 27869 1 868 . 1 1 91 91 THR H H 1 7.327 0.004 . 1 . . . . . 91 THR HN . 27869 1 869 . 1 1 91 91 THR HA H 1 4.789 0.000 . 1 . . . . . 91 THR HA . 27869 1 870 . 1 1 91 91 THR HB H 1 4.704 0.001 . 1 . . . . . 91 THR HB . 27869 1 871 . 1 1 91 91 THR C C 13 174.644 0.000 . 1 . . . . . 91 THR C . 27869 1 872 . 1 1 91 91 THR CA C 13 57.864 0.024 . 1 . . . . . 91 THR CA . 27869 1 873 . 1 1 91 91 THR CB C 13 73.070 0.017 . 1 . . . . . 91 THR CB . 27869 1 874 . 1 1 91 91 THR N N 15 105.092 0.015 . 1 . . . . . 91 THR N . 27869 1 875 . 1 1 92 92 GLU HA H 1 4.403 0.002 . 1 . . . . . 92 GLU HA . 27869 1 876 . 1 1 92 92 GLU HB2 H 1 2.268 0.002 . 2 . . . . . 92 GLU HB2 . 27869 1 877 . 1 1 92 92 GLU HG2 H 1 2.506 0.003 . 2 . . . . . 92 GLU HG2 . 27869 1 878 . 1 1 92 92 GLU HG3 H 1 2.621 0.002 . 2 . . . . . 92 GLU HG3 . 27869 1 879 . 1 1 92 92 GLU C C 13 177.613 0.011 . 1 . . . . . 92 GLU C . 27869 1 880 . 1 1 92 92 GLU CA C 13 59.092 0.063 . 1 . . . . . 92 GLU CA . 27869 1 881 . 1 1 92 92 GLU CB C 13 28.592 0.206 . 1 . . . . . 92 GLU CB . 27869 1 882 . 1 1 92 92 GLU CG C 13 35.364 0.099 . 1 . . . . . 92 GLU CG . 27869 1 883 . 1 1 93 93 GLU H H 1 8.823 0.003 . 1 . . . . . 93 GLU HN . 27869 1 884 . 1 1 93 93 GLU HA H 1 3.981 0.003 . 1 . . . . . 93 GLU HA . 27869 1 885 . 1 1 93 93 GLU HB2 H 1 1.910 0.002 . 2 . . . . . 93 GLU HB2 . 27869 1 886 . 1 1 93 93 GLU HB3 H 1 2.021 0.000 . 2 . . . . . 93 GLU HB3 . 27869 1 887 . 1 1 93 93 GLU HG2 H 1 2.248 0.000 . 2 . . . . . 93 GLU HG2 . 27869 1 888 . 1 1 93 93 GLU C C 13 179.025 0.022 . 1 . . . . . 93 GLU C . 27869 1 889 . 1 1 93 93 GLU CA C 13 60.107 0.036 . 1 . . . . . 93 GLU CA . 27869 1 890 . 1 1 93 93 GLU CB C 13 28.671 0.039 . 1 . . . . . 93 GLU CB . 27869 1 891 . 1 1 93 93 GLU CG C 13 36.794 0.024 . 1 . . . . . 93 GLU CG . 27869 1 892 . 1 1 93 93 GLU N N 15 118.414 0.069 . 1 . . . . . 93 GLU N . 27869 1 893 . 1 1 94 94 GLU H H 1 7.713 0.003 . 1 . . . . . 94 GLU HN . 27869 1 894 . 1 1 94 94 GLU HA H 1 3.934 0.005 . 1 . . . . . 94 GLU HA . 27869 1 895 . 1 1 94 94 GLU HB2 H 1 2.043 0.000 . 2 . . . . . 94 GLU HB2 . 27869 1 896 . 1 1 94 94 GLU HG2 H 1 2.441 0.001 . 2 . . . . . 94 GLU HG2 . 27869 1 897 . 1 1 94 94 GLU C C 13 177.850 0.001 . 1 . . . . . 94 GLU C . 27869 1 898 . 1 1 94 94 GLU CA C 13 59.157 0.066 . 1 . . . . . 94 GLU CA . 27869 1 899 . 1 1 94 94 GLU CB C 13 30.873 0.069 . 1 . . . . . 94 GLU CB . 27869 1 900 . 1 1 94 94 GLU CG C 13 36.186 0.018 . 1 . . . . . 94 GLU CG . 27869 1 901 . 1 1 94 94 GLU N N 15 121.113 0.030 . 1 . . . . . 94 GLU N . 27869 1 902 . 1 1 95 95 ARG H H 1 8.368 0.005 . 1 . . . . . 95 ARG HN . 27869 1 903 . 1 1 95 95 ARG HA H 1 3.538 0.001 . 1 . . . . . 95 ARG HA . 27869 1 904 . 1 1 95 95 ARG HB2 H 1 2.027 0.000 . 2 . . . . . 95 ARG HB2 . 27869 1 905 . 1 1 95 95 ARG C C 13 178.542 0.008 . 1 . . . . . 95 ARG C . 27869 1 906 . 1 1 95 95 ARG CA C 13 59.957 0.030 . 1 . . . . . 95 ARG CA . 27869 1 907 . 1 1 95 95 ARG CB C 13 28.446 0.160 . 1 . . . . . 95 ARG CB . 27869 1 908 . 1 1 95 95 ARG N N 15 117.883 0.057 . 1 . . . . . 95 ARG N . 27869 1 909 . 1 1 96 96 GLN H H 1 8.704 0.003 . 1 . . . . . 96 GLN HN . 27869 1 910 . 1 1 96 96 GLN HA H 1 3.918 0.000 . 1 . . . . . 96 GLN HA . 27869 1 911 . 1 1 96 96 GLN C C 13 179.306 0.010 . 1 . . . . . 96 GLN C . 27869 1 912 . 1 1 96 96 GLN CA C 13 58.614 0.010 . 1 . . . . . 96 GLN CA . 27869 1 913 . 1 1 96 96 GLN CB C 13 28.758 0.049 . 1 . . . . . 96 GLN CB . 27869 1 914 . 1 1 96 96 GLN N N 15 116.098 0.032 . 1 . . . . . 96 GLN N . 27869 1 915 . 1 1 97 97 ARG H H 1 8.017 0.002 . 1 . . . . . 97 ARG HN . 27869 1 916 . 1 1 97 97 ARG HA H 1 4.099 0.000 . 1 . . . . . 97 ARG HA . 27869 1 917 . 1 1 97 97 ARG HB2 H 1 1.904 0.002 . 2 . . . . . 97 ARG HB2 . 27869 1 918 . 1 1 97 97 ARG HB3 H 1 1.996 0.000 . 2 . . . . . 97 ARG HB3 . 27869 1 919 . 1 1 97 97 ARG HG2 H 1 1.580 0.004 . 2 . . . . . 97 ARG HG2 . 27869 1 920 . 1 1 97 97 ARG HG3 H 1 1.774 0.002 . 2 . . . . . 97 ARG HG3 . 27869 1 921 . 1 1 97 97 ARG HD2 H 1 3.228 0.001 . 2 . . . . . 97 ARG HD2 . 27869 1 922 . 1 1 97 97 ARG C C 13 178.808 0.012 . 1 . . . . . 97 ARG C . 27869 1 923 . 1 1 97 97 ARG CA C 13 59.387 0.072 . 1 . . . . . 97 ARG CA . 27869 1 924 . 1 1 97 97 ARG CB C 13 29.956 0.069 . 1 . . . . . 97 ARG CB . 27869 1 925 . 1 1 97 97 ARG CG C 13 27.055 0.041 . 1 . . . . . 97 ARG CG . 27869 1 926 . 1 1 97 97 ARG CD C 13 43.474 0.075 . 1 . . . . . 97 ARG CD . 27869 1 927 . 1 1 97 97 ARG N N 15 122.114 0.078 . 1 . . . . . 97 ARG N . 27869 1 928 . 1 1 98 98 ASN H H 1 8.270 0.006 . 1 . . . . . 98 ASN HN . 27869 1 929 . 1 1 98 98 ASN HA H 1 4.716 0.000 . 1 . . . . . 98 ASN HA . 27869 1 930 . 1 1 98 98 ASN HB2 H 1 2.436 0.001 . 2 . . . . . 98 ASN HB2 . 27869 1 931 . 1 1 98 98 ASN HB3 H 1 2.852 0.002 . 2 . . . . . 98 ASN HB3 . 27869 1 932 . 1 1 98 98 ASN C C 13 178.123 0.022 . 1 . . . . . 98 ASN C . 27869 1 933 . 1 1 98 98 ASN CA C 13 55.141 0.080 . 1 . . . . . 98 ASN CA . 27869 1 934 . 1 1 98 98 ASN CB C 13 37.955 0.045 . 1 . . . . . 98 ASN CB . 27869 1 935 . 1 1 98 98 ASN N N 15 117.924 0.033 . 1 . . . . . 98 ASN N . 27869 1 936 . 1 1 99 99 LEU H H 1 9.181 0.005 . 1 . . . . . 99 LEU HN . 27869 1 937 . 1 1 99 99 LEU HA H 1 4.002 0.003 . 1 . . . . . 99 LEU HA . 27869 1 938 . 1 1 99 99 LEU HB2 H 1 2.074 0.000 . 2 . . . . . 99 LEU HB2 . 27869 1 939 . 1 1 99 99 LEU HG H 1 1.035 0.003 . 1 . . . . . 99 LEU HG . 27869 1 940 . 1 1 99 99 LEU HD11 H 1 0.693 0.004 . 1 . . . . . 99 LEU QD1 . 27869 1 941 . 1 1 99 99 LEU HD12 H 1 0.693 0.004 . 1 . . . . . 99 LEU QD1 . 27869 1 942 . 1 1 99 99 LEU HD13 H 1 0.693 0.004 . 1 . . . . . 99 LEU QD1 . 27869 1 943 . 1 1 99 99 LEU HD21 H 1 0.695 0.003 . 1 . . . . . 99 LEU QD2 . 27869 1 944 . 1 1 99 99 LEU HD22 H 1 0.695 0.003 . 1 . . . . . 99 LEU QD2 . 27869 1 945 . 1 1 99 99 LEU HD23 H 1 0.695 0.003 . 1 . . . . . 99 LEU QD2 . 27869 1 946 . 1 1 99 99 LEU C C 13 177.493 0.011 . 1 . . . . . 99 LEU C . 27869 1 947 . 1 1 99 99 LEU CA C 13 58.147 0.059 . 1 . . . . . 99 LEU CA . 27869 1 948 . 1 1 99 99 LEU CB C 13 41.303 0.042 . 1 . . . . . 99 LEU CB . 27869 1 949 . 1 1 99 99 LEU CG C 13 26.423 0.087 . 1 . . . . . 99 LEU CG . 27869 1 950 . 1 1 99 99 LEU CD1 C 13 23.630 0.043 . 2 . . . . . 99 LEU CD1 . 27869 1 951 . 1 1 99 99 LEU CD2 C 13 23.630 0.043 . 2 . . . . . 99 LEU CD2 . 27869 1 952 . 1 1 99 99 LEU N N 15 123.992 0.022 . 1 . . . . . 99 LEU N . 27869 1 953 . 1 1 100 100 ALA H H 1 7.602 0.004 . 1 . . . . . 100 ALA HN . 27869 1 954 . 1 1 100 100 ALA HA H 1 3.826 0.000 . 1 . . . . . 100 ALA HA . 27869 1 955 . 1 1 100 100 ALA HB1 H 1 1.518 0.000 . 1 . . . . . 100 ALA QB . 27869 1 956 . 1 1 100 100 ALA HB2 H 1 1.518 0.000 . 1 . . . . . 100 ALA QB . 27869 1 957 . 1 1 100 100 ALA HB3 H 1 1.518 0.000 . 1 . . . . . 100 ALA QB . 27869 1 958 . 1 1 100 100 ALA C C 13 180.441 0.011 . 1 . . . . . 100 ALA C . 27869 1 959 . 1 1 100 100 ALA CA C 13 55.095 0.024 . 1 . . . . . 100 ALA CA . 27869 1 960 . 1 1 100 100 ALA CB C 13 17.318 0.026 . 1 . . . . . 100 ALA CB . 27869 1 961 . 1 1 100 100 ALA N N 15 118.817 0.045 . 1 . . . . . 100 ALA N . 27869 1 962 . 1 1 101 101 VAL H H 1 7.294 0.004 . 1 . . . . . 101 VAL HN . 27869 1 963 . 1 1 101 101 VAL HA H 1 3.675 0.003 . 1 . . . . . 101 VAL HA . 27869 1 964 . 1 1 101 101 VAL HB H 1 2.077 0.002 . 1 . . . . . 101 VAL HB . 27869 1 965 . 1 1 101 101 VAL HG11 H 1 1.105 0.002 . 1 . . . . . 101 VAL QG1 . 27869 1 966 . 1 1 101 101 VAL HG12 H 1 1.105 0.002 . 1 . . . . . 101 VAL QG1 . 27869 1 967 . 1 1 101 101 VAL HG13 H 1 1.105 0.002 . 1 . . . . . 101 VAL QG1 . 27869 1 968 . 1 1 101 101 VAL HG21 H 1 0.611 0.000 . 1 . . . . . 101 VAL QG2 . 27869 1 969 . 1 1 101 101 VAL HG22 H 1 0.611 0.000 . 1 . . . . . 101 VAL QG2 . 27869 1 970 . 1 1 101 101 VAL HG23 H 1 0.611 0.000 . 1 . . . . . 101 VAL QG2 . 27869 1 971 . 1 1 101 101 VAL C C 13 177.872 0.021 . 1 . . . . . 101 VAL C . 27869 1 972 . 1 1 101 101 VAL CA C 13 66.479 0.039 . 1 . . . . . 101 VAL CA . 27869 1 973 . 1 1 101 101 VAL CB C 13 30.999 0.107 . 1 . . . . . 101 VAL CB . 27869 1 974 . 1 1 101 101 VAL CG1 C 13 21.930 0.078 . 2 . . . . . 101 VAL CG1 . 27869 1 975 . 1 1 101 101 VAL CG2 C 13 21.951 0.027 . 2 . . . . . 101 VAL CG2 . 27869 1 976 . 1 1 101 101 VAL N N 15 119.575 0.038 . 1 . . . . . 101 VAL N . 27869 1 977 . 1 1 102 102 PHE H H 1 7.680 0.003 . 1 . . . . . 102 PHE HN . 27869 1 978 . 1 1 102 102 PHE HA H 1 4.068 0.003 . 1 . . . . . 102 PHE HA . 27869 1 979 . 1 1 102 102 PHE HB2 H 1 2.843 0.002 . 2 . . . . . 102 PHE HB2 . 27869 1 980 . 1 1 102 102 PHE HB3 H 1 3.111 0.000 . 2 . . . . . 102 PHE HB3 . 27869 1 981 . 1 1 102 102 PHE C C 13 178.461 0.015 . 1 . . . . . 102 PHE C . 27869 1 982 . 1 1 102 102 PHE CA C 13 63.734 0.062 . 1 . . . . . 102 PHE CA . 27869 1 983 . 1 1 102 102 PHE CB C 13 39.301 0.016 . 1 . . . . . 102 PHE CB . 27869 1 984 . 1 1 102 102 PHE N N 15 118.271 0.024 . 1 . . . . . 102 PHE N . 27869 1 985 . 1 1 103 103 LYS H H 1 8.603 0.003 . 1 . . . . . 103 LYS HN . 27869 1 986 . 1 1 103 103 LYS HA H 1 4.119 0.002 . 1 . . . . . 103 LYS HA . 27869 1 987 . 1 1 103 103 LYS C C 13 179.041 0.013 . 1 . . . . . 103 LYS C . 27869 1 988 . 1 1 103 103 LYS CA C 13 60.289 0.027 . 1 . . . . . 103 LYS CA . 27869 1 989 . 1 1 103 103 LYS CB C 13 32.299 0.033 . 1 . . . . . 103 LYS CB . 27869 1 990 . 1 1 103 103 LYS CG C 13 24.955 0.000 . 1 . . . . . 103 LYS CG . 27869 1 991 . 1 1 103 103 LYS N N 15 117.711 0.028 . 1 . . . . . 103 LYS N . 27869 1 992 . 1 1 104 104 ALA H H 1 7.646 0.003 . 1 . . . . . 104 ALA HN . 27869 1 993 . 1 1 104 104 ALA HA H 1 4.212 0.000 . 1 . . . . . 104 ALA HA . 27869 1 994 . 1 1 104 104 ALA HB1 H 1 1.577 0.002 . 1 . . . . . 104 ALA QB . 27869 1 995 . 1 1 104 104 ALA HB2 H 1 1.577 0.002 . 1 . . . . . 104 ALA QB . 27869 1 996 . 1 1 104 104 ALA HB3 H 1 1.577 0.002 . 1 . . . . . 104 ALA QB . 27869 1 997 . 1 1 104 104 ALA C C 13 179.532 0.034 . 1 . . . . . 104 ALA C . 27869 1 998 . 1 1 104 104 ALA CA C 13 54.059 0.048 . 1 . . . . . 104 ALA CA . 27869 1 999 . 1 1 104 104 ALA CB C 13 18.323 0.069 . 1 . . . . . 104 ALA CB . 27869 1 1000 . 1 1 104 104 ALA N N 15 120.973 0.033 . 1 . . . . . 104 ALA N . 27869 1 1001 . 1 1 105 105 TRP H H 1 8.379 0.003 . 1 . . . . . 105 TRP HN . 27869 1 1002 . 1 1 105 105 TRP HA H 1 4.200 0.002 . 1 . . . . . 105 TRP HA . 27869 1 1003 . 1 1 105 105 TRP HB2 H 1 3.007 0.002 . 2 . . . . . 105 TRP HB2 . 27869 1 1004 . 1 1 105 105 TRP C C 13 177.559 0.015 . 1 . . . . . 105 TRP C . 27869 1 1005 . 1 1 105 105 TRP CA C 13 60.391 0.024 . 1 . . . . . 105 TRP CA . 27869 1 1006 . 1 1 105 105 TRP CB C 13 28.737 0.050 . 1 . . . . . 105 TRP CB . 27869 1 1007 . 1 1 105 105 TRP N N 15 118.468 0.040 . 1 . . . . . 105 TRP N . 27869 1 1008 . 1 1 106 106 VAL H H 1 8.450 0.003 . 1 . . . . . 106 VAL HN . 27869 1 1009 . 1 1 106 106 VAL HA H 1 3.446 0.002 . 1 . . . . . 106 VAL HA . 27869 1 1010 . 1 1 106 106 VAL HB H 1 2.329 0.003 . 1 . . . . . 106 VAL HB . 27869 1 1011 . 1 1 106 106 VAL HG11 H 1 1.297 0.002 . 1 . . . . . 106 VAL QG1 . 27869 1 1012 . 1 1 106 106 VAL HG12 H 1 1.297 0.002 . 1 . . . . . 106 VAL QG1 . 27869 1 1013 . 1 1 106 106 VAL HG13 H 1 1.297 0.002 . 1 . . . . . 106 VAL QG1 . 27869 1 1014 . 1 1 106 106 VAL HG21 H 1 1.088 0.000 . 1 . . . . . 106 VAL QG2 . 27869 1 1015 . 1 1 106 106 VAL HG22 H 1 1.088 0.000 . 1 . . . . . 106 VAL QG2 . 27869 1 1016 . 1 1 106 106 VAL HG23 H 1 1.088 0.000 . 1 . . . . . 106 VAL QG2 . 27869 1 1017 . 1 1 106 106 VAL C C 13 175.971 0.023 . 1 . . . . . 106 VAL C . 27869 1 1018 . 1 1 106 106 VAL CA C 13 65.271 0.032 . 1 . . . . . 106 VAL CA . 27869 1 1019 . 1 1 106 106 VAL CB C 13 31.884 0.109 . 1 . . . . . 106 VAL CB . 27869 1 1020 . 1 1 106 106 VAL CG1 C 13 22.947 0.012 . 2 . . . . . 106 VAL CG1 . 27869 1 1021 . 1 1 106 106 VAL CG2 C 13 22.936 0.027 . 2 . . . . . 106 VAL CG2 . 27869 1 1022 . 1 1 106 106 VAL N N 15 114.276 0.032 . 1 . . . . . 106 VAL N . 27869 1 1023 . 1 1 107 107 GLY H H 1 7.456 0.004 . 1 . . . . . 107 GLY HN . 27869 1 1024 . 1 1 107 107 GLY HA2 H 1 3.478 0.000 . 2 . . . . . 107 GLY HA1 . 27869 1 1025 . 1 1 107 107 GLY C C 13 174.267 0.029 . 1 . . . . . 107 GLY C . 27869 1 1026 . 1 1 107 107 GLY CA C 13 45.949 0.026 . 1 . . . . . 107 GLY CA . 27869 1 1027 . 1 1 107 107 GLY N N 15 106.779 0.023 . 1 . . . . . 107 GLY N . 27869 1 1028 . 1 1 108 108 VAL H H 1 7.272 0.003 . 1 . . . . . 108 VAL HN . 27869 1 1029 . 1 1 108 108 VAL HA H 1 4.265 0.001 . 1 . . . . . 108 VAL HA . 27869 1 1030 . 1 1 108 108 VAL HB H 1 2.010 0.002 . 1 . . . . . 108 VAL HB . 27869 1 1031 . 1 1 108 108 VAL HG11 H 1 0.990 0.000 . 1 . . . . . 108 VAL QG1 . 27869 1 1032 . 1 1 108 108 VAL HG12 H 1 0.990 0.000 . 1 . . . . . 108 VAL QG1 . 27869 1 1033 . 1 1 108 108 VAL HG13 H 1 0.990 0.000 . 1 . . . . . 108 VAL QG1 . 27869 1 1034 . 1 1 108 108 VAL HG21 H 1 0.865 0.000 . 1 . . . . . 108 VAL QG2 . 27869 1 1035 . 1 1 108 108 VAL HG22 H 1 0.865 0.000 . 1 . . . . . 108 VAL QG2 . 27869 1 1036 . 1 1 108 108 VAL HG23 H 1 0.865 0.000 . 1 . . . . . 108 VAL QG2 . 27869 1 1037 . 1 1 108 108 VAL C C 13 173.231 0.018 . 1 . . . . . 108 VAL C . 27869 1 1038 . 1 1 108 108 VAL CA C 13 61.029 0.027 . 1 . . . . . 108 VAL CA . 27869 1 1039 . 1 1 108 108 VAL CB C 13 33.375 0.045 . 1 . . . . . 108 VAL CB . 27869 1 1040 . 1 1 108 108 VAL CG1 C 13 21.281 0.006 . 2 . . . . . 108 VAL CG1 . 27869 1 1041 . 1 1 108 108 VAL CG2 C 13 21.275 0.024 . 2 . . . . . 108 VAL CG2 . 27869 1 1042 . 1 1 108 108 VAL N N 15 118.847 0.023 . 1 . . . . . 108 VAL N . 27869 1 1043 . 1 1 109 109 TRP H H 1 8.737 0.002 . 1 . . . . . 109 TRP HN . 27869 1 1044 . 1 1 109 109 TRP HA H 1 4.614 0.003 . 1 . . . . . 109 TRP HA . 27869 1 1045 . 1 1 109 109 TRP HB2 H 1 2.788 0.000 . 2 . . . . . 109 TRP HB2 . 27869 1 1046 . 1 1 109 109 TRP HB3 H 1 3.524 0.003 . 2 . . . . . 109 TRP HB3 . 27869 1 1047 . 1 1 109 109 TRP C C 13 172.564 0.020 . 1 . . . . . 109 TRP C . 27869 1 1048 . 1 1 109 109 TRP CA C 13 55.062 0.061 . 1 . . . . . 109 TRP CA . 27869 1 1049 . 1 1 109 109 TRP CB C 13 28.210 0.092 . 1 . . . . . 109 TRP CB . 27869 1 1050 . 1 1 109 109 TRP N N 15 128.783 0.035 . 1 . . . . . 109 TRP N . 27869 1 1051 . 1 1 110 110 ASN H H 1 6.644 0.003 . 1 . . . . . 110 ASN HN . 27869 1 1052 . 1 1 110 110 ASN HA H 1 4.540 0.002 . 1 . . . . . 110 ASN HA . 27869 1 1053 . 1 1 110 110 ASN HB2 H 1 2.234 0.000 . 2 . . . . . 110 ASN HB2 . 27869 1 1054 . 1 1 110 110 ASN HB3 H 1 2.567 0.000 . 2 . . . . . 110 ASN HB3 . 27869 1 1055 . 1 1 110 110 ASN C C 13 173.656 0.023 . 1 . . . . . 110 ASN C . 27869 1 1056 . 1 1 110 110 ASN CA C 13 52.272 0.058 . 1 . . . . . 110 ASN CA . 27869 1 1057 . 1 1 110 110 ASN CB C 13 39.613 0.080 . 1 . . . . . 110 ASN CB . 27869 1 1058 . 1 1 110 110 ASN N N 15 124.829 0.032 . 1 . . . . . 110 ASN N . 27869 1 1059 . 1 1 111 111 LEU H H 1 8.399 0.004 . 1 . . . . . 111 LEU HN . 27869 1 1060 . 1 1 111 111 LEU HA H 1 4.057 0.004 . 1 . . . . . 111 LEU HA . 27869 1 1061 . 1 1 111 111 LEU HB2 H 1 1.222 0.002 . 2 . . . . . 111 LEU HB2 . 27869 1 1062 . 1 1 111 111 LEU HB3 H 1 2.027 0.004 . 2 . . . . . 111 LEU HB3 . 27869 1 1063 . 1 1 111 111 LEU HG H 1 1.054 0.003 . 1 . . . . . 111 LEU HG . 27869 1 1064 . 1 1 111 111 LEU HD11 H 1 0.732 0.005 . 1 . . . . . 111 LEU QD1 . 27869 1 1065 . 1 1 111 111 LEU HD12 H 1 0.732 0.005 . 1 . . . . . 111 LEU QD1 . 27869 1 1066 . 1 1 111 111 LEU HD13 H 1 0.732 0.005 . 1 . . . . . 111 LEU QD1 . 27869 1 1067 . 1 1 111 111 LEU HD21 H 1 0.444 0.004 . 1 . . . . . 111 LEU QD2 . 27869 1 1068 . 1 1 111 111 LEU HD22 H 1 0.444 0.004 . 1 . . . . . 111 LEU QD2 . 27869 1 1069 . 1 1 111 111 LEU HD23 H 1 0.444 0.004 . 1 . . . . . 111 LEU QD2 . 27869 1 1070 . 1 1 111 111 LEU C C 13 178.253 0.000 . 1 . . . . . 111 LEU C . 27869 1 1071 . 1 1 111 111 LEU CA C 13 56.713 0.426 . 1 . . . . . 111 LEU CA . 27869 1 1072 . 1 1 111 111 LEU CB C 13 40.850 0.072 . 1 . . . . . 111 LEU CB . 27869 1 1073 . 1 1 111 111 LEU CG C 13 30.909 0.083 . 1 . . . . . 111 LEU CG . 27869 1 1074 . 1 1 111 111 LEU CD1 C 13 26.145 0.102 . 2 . . . . . 111 LEU CD1 . 27869 1 1075 . 1 1 111 111 LEU CD2 C 13 24.625 0.034 . 2 . . . . . 111 LEU CD2 . 27869 1 1076 . 1 1 111 111 LEU N N 15 125.513 0.027 . 1 . . . . . 111 LEU N . 27869 1 1077 . 1 1 112 112 LYS H H 1 8.197 0.004 . 1 . . . . . 112 LYS HN . 27869 1 1078 . 1 1 112 112 LYS HA H 1 3.863 0.004 . 1 . . . . . 112 LYS HA . 27869 1 1079 . 1 1 112 112 LYS HB2 H 1 1.476 0.002 . 2 . . . . . 112 LYS HB2 . 27869 1 1080 . 1 1 112 112 LYS HB3 H 1 1.715 0.003 . 2 . . . . . 112 LYS HB3 . 27869 1 1081 . 1 1 112 112 LYS HE2 H 1 2.912 0.001 . 2 . . . . . 112 LYS HE2 . 27869 1 1082 . 1 1 112 112 LYS C C 13 174.557 0.010 . 1 . . . . . 112 LYS C . 27869 1 1083 . 1 1 112 112 LYS CA C 13 58.371 0.067 . 1 . . . . . 112 LYS CA . 27869 1 1084 . 1 1 112 112 LYS CB C 13 34.758 0.103 . 1 . . . . . 112 LYS CB . 27869 1 1085 . 1 1 112 112 LYS CG C 13 26.576 0.089 . 1 . . . . . 112 LYS CG . 27869 1 1086 . 1 1 112 112 LYS CD C 13 23.675 0.000 . 1 . . . . . 112 LYS CD . 27869 1 1087 . 1 1 112 112 LYS CE C 13 42.052 0.062 . 1 . . . . . 112 LYS CE . 27869 1 1088 . 1 1 112 112 LYS N N 15 123.181 0.034 . 1 . . . . . 112 LYS N . 27869 1 1089 . 1 1 113 113 LYS H H 1 8.018 0.013 . 1 . . . . . 113 LYS HN . 27869 1 1090 . 1 1 113 113 LYS HA H 1 4.399 0.002 . 1 . . . . . 113 LYS HA . 27869 1 1091 . 1 1 113 113 LYS HB2 H 1 2.086 0.000 . 2 . . . . . 113 LYS HB2 . 27869 1 1092 . 1 1 113 113 LYS HG2 H 1 1.576 0.005 . 2 . . . . . 113 LYS HG2 . 27869 1 1093 . 1 1 113 113 LYS HG3 H 1 1.348 0.002 . 2 . . . . . 113 LYS HG3 . 27869 1 1094 . 1 1 113 113 LYS C C 13 177.555 0.002 . 1 . . . . . 113 LYS C . 27869 1 1095 . 1 1 113 113 LYS CA C 13 54.726 0.080 . 1 . . . . . 113 LYS CA . 27869 1 1096 . 1 1 113 113 LYS CB C 13 34.830 0.167 . 1 . . . . . 113 LYS CB . 27869 1 1097 . 1 1 113 113 LYS CG C 13 26.679 0.032 . 1 . . . . . 113 LYS CG . 27869 1 1098 . 1 1 113 113 LYS CE C 13 41.980 0.013 . 1 . . . . . 113 LYS CE . 27869 1 1099 . 1 1 113 113 LYS N N 15 113.914 0.037 . 1 . . . . . 113 LYS N . 27869 1 1100 . 1 1 114 114 TRP H H 1 8.923 0.004 . 1 . . . . . 114 TRP HN . 27869 1 1101 . 1 1 114 114 TRP HA H 1 4.642 0.000 . 1 . . . . . 114 TRP HA . 27869 1 1102 . 1 1 114 114 TRP HB2 H 1 3.306 0.005 . 2 . . . . . 114 TRP HB2 . 27869 1 1103 . 1 1 114 114 TRP HB3 H 1 3.849 0.002 . 2 . . . . . 114 TRP HB3 . 27869 1 1104 . 1 1 114 114 TRP C C 13 174.407 0.000 . 1 . . . . . 114 TRP C . 27869 1 1105 . 1 1 114 114 TRP CA C 13 60.335 0.082 . 1 . . . . . 114 TRP CA . 27869 1 1106 . 1 1 114 114 TRP CB C 13 27.591 0.131 . 1 . . . . . 114 TRP CB . 27869 1 1107 . 1 1 114 114 TRP N N 15 120.605 0.022 . 1 . . . . . 114 TRP N . 27869 1 1108 . 1 1 115 115 PRO HA H 1 4.109 0.003 . 1 . . . . . 115 PRO HA . 27869 1 1109 . 1 1 115 115 PRO HB2 H 1 2.326 0.002 . 2 . . . . . 115 PRO HB2 . 27869 1 1110 . 1 1 115 115 PRO HG2 H 1 2.059 0.002 . 2 . . . . . 115 PRO HG2 . 27869 1 1111 . 1 1 115 115 PRO HD2 H 1 3.469 0.002 . 2 . . . . . 115 PRO HD2 . 27869 1 1112 . 1 1 115 115 PRO HD3 H 1 4.121 0.002 . 2 . . . . . 115 PRO HD3 . 27869 1 1113 . 1 1 115 115 PRO C C 13 176.460 0.006 . 1 . . . . . 115 PRO C . 27869 1 1114 . 1 1 115 115 PRO CA C 13 65.277 0.043 . 1 . . . . . 115 PRO CA . 27869 1 1115 . 1 1 115 115 PRO CB C 13 30.901 0.050 . 1 . . . . . 115 PRO CB . 27869 1 1116 . 1 1 115 115 PRO CG C 13 28.255 0.026 . 1 . . . . . 115 PRO CG . 27869 1 1117 . 1 1 115 115 PRO CD C 13 50.214 0.058 . 1 . . . . . 115 PRO CD . 27869 1 1118 . 1 1 116 116 ASP H H 1 7.151 0.003 . 1 . . . . . 116 ASP HN . 27869 1 1119 . 1 1 116 116 ASP HA H 1 4.646 0.006 . 1 . . . . . 116 ASP HA . 27869 1 1120 . 1 1 116 116 ASP HB2 H 1 2.436 0.002 . 2 . . . . . 116 ASP HB2 . 27869 1 1121 . 1 1 116 116 ASP HB3 H 1 2.774 0.000 . 2 . . . . . 116 ASP HB3 . 27869 1 1122 . 1 1 116 116 ASP C C 13 175.616 0.001 . 1 . . . . . 116 ASP C . 27869 1 1123 . 1 1 116 116 ASP CA C 13 54.087 0.043 . 1 . . . . . 116 ASP CA . 27869 1 1124 . 1 1 116 116 ASP CB C 13 42.874 0.015 . 1 . . . . . 116 ASP CB . 27869 1 1125 . 1 1 116 116 ASP N N 15 111.211 0.045 . 1 . . . . . 116 ASP N . 27869 1 1126 . 1 1 117 117 ILE H H 1 7.119 0.003 . 1 . . . . . 117 ILE HN . 27869 1 1127 . 1 1 117 117 ILE HA H 1 4.140 0.002 . 1 . . . . . 117 ILE HA . 27869 1 1128 . 1 1 117 117 ILE HB H 1 1.309 0.002 . 1 . . . . . 117 ILE HB . 27869 1 1129 . 1 1 117 117 ILE HG12 H 1 1.434 0.004 . 2 . . . . . 117 ILE HG12 . 27869 1 1130 . 1 1 117 117 ILE HG13 H 1 1.481 0.002 . 2 . . . . . 117 ILE HG13 . 27869 1 1131 . 1 1 117 117 ILE HG21 H 1 0.761 0.003 . 1 . . . . . 117 ILE QG2 . 27869 1 1132 . 1 1 117 117 ILE HG22 H 1 0.761 0.003 . 1 . . . . . 117 ILE QG2 . 27869 1 1133 . 1 1 117 117 ILE HG23 H 1 0.761 0.003 . 1 . . . . . 117 ILE QG2 . 27869 1 1134 . 1 1 117 117 ILE HD11 H 1 0.533 0.000 . 1 . . . . . 117 ILE QD1 . 27869 1 1135 . 1 1 117 117 ILE HD12 H 1 0.533 0.000 . 1 . . . . . 117 ILE QD1 . 27869 1 1136 . 1 1 117 117 ILE HD13 H 1 0.533 0.000 . 1 . . . . . 117 ILE QD1 . 27869 1 1137 . 1 1 117 117 ILE C C 13 173.435 0.022 . 1 . . . . . 117 ILE C . 27869 1 1138 . 1 1 117 117 ILE CA C 13 61.672 0.041 . 1 . . . . . 117 ILE CA . 27869 1 1139 . 1 1 117 117 ILE CB C 13 39.653 0.091 . 1 . . . . . 117 ILE CB . 27869 1 1140 . 1 1 117 117 ILE CG1 C 13 31.506 0.043 . 1 . . . . . 117 ILE CG1 . 27869 1 1141 . 1 1 117 117 ILE CG2 C 13 15.839 0.045 . 1 . . . . . 117 ILE CG2 . 27869 1 1142 . 1 1 117 117 ILE CD1 C 13 13.333 0.023 . 1 . . . . . 117 ILE CD1 . 27869 1 1143 . 1 1 117 117 ILE N N 15 122.557 0.042 . 1 . . . . . 117 ILE N . 27869 1 1144 . 1 1 118 118 THR H H 1 8.150 0.006 . 1 . . . . . 118 THR HN . 27869 1 1145 . 1 1 118 118 THR HA H 1 4.519 0.000 . 1 . . . . . 118 THR HA . 27869 1 1146 . 1 1 118 118 THR HB H 1 4.588 0.004 . 1 . . . . . 118 THR HB . 27869 1 1147 . 1 1 118 118 THR C C 13 175.525 0.041 . 1 . . . . . 118 THR C . 27869 1 1148 . 1 1 118 118 THR CA C 13 59.987 0.058 . 1 . . . . . 118 THR CA . 27869 1 1149 . 1 1 118 118 THR CB C 13 72.144 0.047 . 1 . . . . . 118 THR CB . 27869 1 1150 . 1 1 118 118 THR N N 15 116.068 0.054 . 1 . . . . . 118 THR N . 27869 1 1151 . 1 1 119 119 LYS H H 1 9.309 0.003 . 1 . . . . . 119 LYS HN . 27869 1 1152 . 1 1 119 119 LYS HA H 1 3.882 0.002 . 1 . . . . . 119 LYS HA . 27869 1 1153 . 1 1 119 119 LYS C C 13 176.773 0.029 . 1 . . . . . 119 LYS C . 27869 1 1154 . 1 1 119 119 LYS CA C 13 58.104 0.029 . 1 . . . . . 119 LYS CA . 27869 1 1155 . 1 1 119 119 LYS CB C 13 32.423 0.000 . 1 . . . . . 119 LYS CB . 27869 1 1156 . 1 1 119 119 LYS CG C 13 23.602 0.000 . 1 . . . . . 119 LYS CG . 27869 1 1157 . 1 1 119 119 LYS N N 15 121.642 0.044 . 1 . . . . . 119 LYS N . 27869 1 1158 . 1 1 120 120 GLU H H 1 8.826 0.004 . 1 . . . . . 120 GLU HN . 27869 1 1159 . 1 1 120 120 GLU HA H 1 4.045 0.002 . 1 . . . . . 120 GLU HA . 27869 1 1160 . 1 1 120 120 GLU HB2 H 1 2.143 0.002 . 2 . . . . . 120 GLU HB2 . 27869 1 1161 . 1 1 120 120 GLU HG2 H 1 2.370 0.001 . 2 . . . . . 120 GLU HG2 . 27869 1 1162 . 1 1 120 120 GLU HG3 H 1 2.368 0.000 . 2 . . . . . 120 GLU HG3 . 27869 1 1163 . 1 1 120 120 GLU C C 13 179.567 0.016 . 1 . . . . . 120 GLU C . 27869 1 1164 . 1 1 120 120 GLU CA C 13 60.140 0.084 . 1 . . . . . 120 GLU CA . 27869 1 1165 . 1 1 120 120 GLU CB C 13 28.844 0.118 . 1 . . . . . 120 GLU CB . 27869 1 1166 . 1 1 120 120 GLU CG C 13 36.406 0.036 . 1 . . . . . 120 GLU CG . 27869 1 1167 . 1 1 120 120 GLU N N 15 117.112 0.027 . 1 . . . . . 120 GLU N . 27869 1 1168 . 1 1 121 121 GLU H H 1 7.369 0.004 . 1 . . . . . 121 GLU HN . 27869 1 1169 . 1 1 121 121 GLU HA H 1 3.983 0.003 . 1 . . . . . 121 GLU HA . 27869 1 1170 . 1 1 121 121 GLU HB2 H 1 1.792 0.000 . 2 . . . . . 121 GLU HB2 . 27869 1 1171 . 1 1 121 121 GLU HG2 H 1 2.208 0.003 . 2 . . . . . 121 GLU HG2 . 27869 1 1172 . 1 1 121 121 GLU C C 13 179.736 0.007 . 1 . . . . . 121 GLU C . 27869 1 1173 . 1 1 121 121 GLU CA C 13 58.885 0.045 . 1 . . . . . 121 GLU CA . 27869 1 1174 . 1 1 121 121 GLU CB C 13 30.462 0.072 . 1 . . . . . 121 GLU CB . 27869 1 1175 . 1 1 121 121 GLU CG C 13 38.051 0.036 . 1 . . . . . 121 GLU CG . 27869 1 1176 . 1 1 121 121 GLU N N 15 118.685 0.043 . 1 . . . . . 121 GLU N . 27869 1 1177 . 1 1 122 122 LEU H H 1 8.178 0.002 . 1 . . . . . 122 LEU HN . 27869 1 1178 . 1 1 122 122 LEU HA H 1 3.854 0.003 . 1 . . . . . 122 LEU HA . 27869 1 1179 . 1 1 122 122 LEU HB2 H 1 1.442 0.003 . 2 . . . . . 122 LEU HB2 . 27869 1 1180 . 1 1 122 122 LEU HB3 H 1 2.334 0.000 . 2 . . . . . 122 LEU HB3 . 27869 1 1181 . 1 1 122 122 LEU HG H 1 0.894 0.000 . 1 . . . . . 122 LEU HG . 27869 1 1182 . 1 1 122 122 LEU HD11 H 1 0.754 0.000 . 1 . . . . . 122 LEU QD1 . 27869 1 1183 . 1 1 122 122 LEU HD12 H 1 0.754 0.000 . 1 . . . . . 122 LEU QD1 . 27869 1 1184 . 1 1 122 122 LEU HD13 H 1 0.754 0.000 . 1 . . . . . 122 LEU QD1 . 27869 1 1185 . 1 1 122 122 LEU CA C 13 57.796 0.056 . 1 . . . . . 122 LEU CA . 27869 1 1186 . 1 1 122 122 LEU CB C 13 42.730 0.153 . 1 . . . . . 122 LEU CB . 27869 1 1187 . 1 1 122 122 LEU CG C 13 25.863 0.139 . 1 . . . . . 122 LEU CG . 27869 1 1188 . 1 1 122 122 LEU CD1 C 13 25.791 0.059 . 2 . . . . . 122 LEU CD1 . 27869 1 1189 . 1 1 122 122 LEU CD2 C 13 25.848 0.020 . 2 . . . . . 122 LEU CD2 . 27869 1 1190 . 1 1 122 122 LEU N N 15 120.218 0.049 . 1 . . . . . 122 LEU N . 27869 1 1191 . 1 1 123 123 ASN H H 1 8.457 0.009 . 1 . . . . . 123 ASN HN . 27869 1 1192 . 1 1 123 123 ASN HB2 H 1 2.989 0.000 . 2 . . . . . 123 ASN HB2 . 27869 1 1193 . 1 1 123 123 ASN HB3 H 1 3.099 0.000 . 2 . . . . . 123 ASN HB3 . 27869 1 1194 . 1 1 123 123 ASN C C 13 175.309 0.016 . 1 . . . . . 123 ASN C . 27869 1 1195 . 1 1 123 123 ASN CA C 13 54.784 0.013 . 1 . . . . . 123 ASN CA . 27869 1 1196 . 1 1 123 123 ASN CB C 13 38.258 0.013 . 1 . . . . . 123 ASN CB . 27869 1 1197 . 1 1 123 123 ASN N N 15 116.940 0.063 . 1 . . . . . 123 ASN N . 27869 1 1198 . 1 1 124 124 ALA H H 1 7.210 0.001 . 1 . . . . . 124 ALA HN . 27869 1 1199 . 1 1 124 124 ALA HA H 1 4.363 0.000 . 1 . . . . . 124 ALA HA . 27869 1 1200 . 1 1 124 124 ALA HB1 H 1 1.554 0.000 . 1 . . . . . 124 ALA QB . 27869 1 1201 . 1 1 124 124 ALA HB2 H 1 1.554 0.000 . 1 . . . . . 124 ALA QB . 27869 1 1202 . 1 1 124 124 ALA HB3 H 1 1.554 0.000 . 1 . . . . . 124 ALA QB . 27869 1 1203 . 1 1 124 124 ALA C C 13 176.073 0.000 . 1 . . . . . 124 ALA C . 27869 1 1204 . 1 1 124 124 ALA CA C 13 51.976 0.024 . 1 . . . . . 124 ALA CA . 27869 1 1205 . 1 1 124 124 ALA CB C 13 19.240 0.060 . 1 . . . . . 124 ALA CB . 27869 1 1206 . 1 1 124 124 ALA N N 15 119.147 0.060 . 1 . . . . . 124 ALA N . 27869 1 1207 . 1 1 125 125 ILE H H 1 7.203 0.004 . 1 . . . . . 125 ILE HN . 27869 1 1208 . 1 1 125 125 ILE HB H 1 1.960 0.003 . 1 . . . . . 125 ILE HB . 27869 1 1209 . 1 1 125 125 ILE HG12 H 1 1.045 0.000 . 2 . . . . . 125 ILE HG12 . 27869 1 1210 . 1 1 125 125 ILE HG13 H 1 1.603 0.001 . 2 . . . . . 125 ILE HG13 . 27869 1 1211 . 1 1 125 125 ILE HG21 H 1 0.919 0.002 . 1 . . . . . 125 ILE QG2 . 27869 1 1212 . 1 1 125 125 ILE HG22 H 1 0.919 0.002 . 1 . . . . . 125 ILE QG2 . 27869 1 1213 . 1 1 125 125 ILE HG23 H 1 0.919 0.002 . 1 . . . . . 125 ILE QG2 . 27869 1 1214 . 1 1 125 125 ILE HD11 H 1 0.566 0.002 . 1 . . . . . 125 ILE QD1 . 27869 1 1215 . 1 1 125 125 ILE HD12 H 1 0.566 0.002 . 1 . . . . . 125 ILE QD1 . 27869 1 1216 . 1 1 125 125 ILE HD13 H 1 0.566 0.002 . 1 . . . . . 125 ILE QD1 . 27869 1 1217 . 1 1 125 125 ILE C C 13 176.088 0.015 . 1 . . . . . 125 ILE C . 27869 1 1218 . 1 1 125 125 ILE CA C 13 60.575 0.056 . 1 . . . . . 125 ILE CA . 27869 1 1219 . 1 1 125 125 ILE CB C 13 36.143 0.061 . 1 . . . . . 125 ILE CB . 27869 1 1220 . 1 1 125 125 ILE CG1 C 13 27.351 0.064 . 1 . . . . . 125 ILE CG1 . 27869 1 1221 . 1 1 125 125 ILE CG2 C 13 17.278 0.034 . 1 . . . . . 125 ILE CG2 . 27869 1 1222 . 1 1 125 125 ILE CD1 C 13 12.407 0.035 . 1 . . . . . 125 ILE CD1 . 27869 1 1223 . 1 1 125 125 ILE N N 15 119.633 0.030 . 1 . . . . . 125 ILE N . 27869 1 1224 . 1 1 126 126 THR H H 1 8.176 0.002 . 1 . . . . . 126 THR HN . 27869 1 1225 . 1 1 126 126 THR HA H 1 4.228 0.001 . 1 . . . . . 126 THR HA . 27869 1 1226 . 1 1 126 126 THR HB H 1 4.167 0.000 . 1 . . . . . 126 THR HB . 27869 1 1227 . 1 1 126 126 THR C C 13 175.617 0.023 . 1 . . . . . 126 THR C . 27869 1 1228 . 1 1 126 126 THR CA C 13 63.546 0.040 . 1 . . . . . 126 THR CA . 27869 1 1229 . 1 1 126 126 THR CB C 13 68.315 0.027 . 1 . . . . . 126 THR CB . 27869 1 1230 . 1 1 126 126 THR CG2 C 13 21.567 0.000 . 1 . . . . . 126 THR CG . 27869 1 1231 . 1 1 126 126 THR N N 15 120.187 0.060 . 1 . . . . . 126 THR N . 27869 1 1232 . 1 1 127 127 VAL H H 1 6.888 0.004 . 1 . . . . . 127 VAL HN . 27869 1 1233 . 1 1 127 127 VAL HA H 1 2.087 0.003 . 1 . . . . . 127 VAL HA . 27869 1 1234 . 1 1 127 127 VAL HG11 H 1 0.844 0.001 . 1 . . . . . 127 VAL QG1 . 27869 1 1235 . 1 1 127 127 VAL HG12 H 1 0.844 0.001 . 1 . . . . . 127 VAL QG1 . 27869 1 1236 . 1 1 127 127 VAL HG13 H 1 0.844 0.001 . 1 . . . . . 127 VAL QG1 . 27869 1 1237 . 1 1 127 127 VAL HG21 H 1 -0.130 0.000 . 1 . . . . . 127 VAL QG2 . 27869 1 1238 . 1 1 127 127 VAL HG22 H 1 -0.130 0.000 . 1 . . . . . 127 VAL QG2 . 27869 1 1239 . 1 1 127 127 VAL HG23 H 1 -0.130 0.000 . 1 . . . . . 127 VAL QG2 . 27869 1 1240 . 1 1 127 127 VAL C C 13 174.729 0.019 . 1 . . . . . 127 VAL C . 27869 1 1241 . 1 1 127 127 VAL CA C 13 59.793 0.050 . 1 . . . . . 127 VAL CA . 27869 1 1242 . 1 1 127 127 VAL CB C 13 32.889 0.125 . 1 . . . . . 127 VAL CB . 27869 1 1243 . 1 1 127 127 VAL CG1 C 13 21.999 0.051 . 2 . . . . . 127 VAL CG1 . 27869 1 1244 . 1 1 127 127 VAL CG2 C 13 19.185 0.065 . 2 . . . . . 127 VAL CG2 . 27869 1 1245 . 1 1 127 127 VAL N N 15 110.453 0.017 . 1 . . . . . 127 VAL N . 27869 1 1246 . 1 1 128 128 THR H H 1 8.737 0.006 . 1 . . . . . 128 THR HN . 27869 1 1247 . 1 1 128 128 THR HA H 1 4.003 0.003 . 1 . . . . . 128 THR HA . 27869 1 1248 . 1 1 128 128 THR HB H 1 4.253 0.000 . 1 . . . . . 128 THR HB . 27869 1 1249 . 1 1 128 128 THR C C 13 175.855 0.015 . 1 . . . . . 128 THR C . 27869 1 1250 . 1 1 128 128 THR CA C 13 65.559 0.041 . 1 . . . . . 128 THR CA . 27869 1 1251 . 1 1 128 128 THR CB C 13 69.325 0.032 . 1 . . . . . 128 THR CB . 27869 1 1252 . 1 1 128 128 THR N N 15 118.024 0.094 . 1 . . . . . 128 THR N . 27869 1 1253 . 1 1 129 129 TYR H H 1 9.063 0.005 . 1 . . . . . 129 TYR HN . 27869 1 1254 . 1 1 129 129 TYR HA H 1 3.575 0.000 . 1 . . . . . 129 TYR HA . 27869 1 1255 . 1 1 129 129 TYR HB2 H 1 2.776 0.002 . 2 . . . . . 129 TYR HB2 . 27869 1 1256 . 1 1 129 129 TYR HB3 H 1 2.850 0.005 . 2 . . . . . 129 TYR HB3 . 27869 1 1257 . 1 1 129 129 TYR C C 13 179.435 0.000 . 1 . . . . . 129 TYR C . 27869 1 1258 . 1 1 129 129 TYR CA C 13 61.679 0.005 . 1 . . . . . 129 TYR CA . 27869 1 1259 . 1 1 129 129 TYR CB C 13 38.624 0.010 . 1 . . . . . 129 TYR CB . 27869 1 1260 . 1 1 129 129 TYR N N 15 136.540 0.000 . 1 . . . . . 129 TYR N . 27869 1 1261 . 2 2 1 1 HEM HAD H 1 2.099 0.001 . 2 . . . . . 20 CYS HA62 . 27869 1 1262 . 2 2 1 1 HEM HADA H 1 9.966 0.009 . 2 . . . . . 20 CYS HA63 . 27869 1 1263 . 2 2 1 1 HEM HAA H 1 9.674 0.010 . 2 . . . . . 20 CYS HA72 . 27869 1 1264 . 2 2 1 1 HEM HAAA H 1 11.892 0.017 . 2 . . . . . 20 CYS HA73 . 27869 1 1265 . 2 2 1 1 HEM HBD H 1 -0.886 0.002 . 2 . . . . . 20 CYS HB62 . 27869 1 1266 . 2 2 1 1 HEM HBDA H 1 2.551 0.003 . 2 . . . . . 20 CYS HB63 . 27869 1 1267 . 2 2 1 1 HEM HBA H 1 0.607 0.001 . 2 . . . . . 20 CYS HB72 . 27869 1 1268 . 2 2 1 1 HEM HBAA H 1 0.369 0.002 . 2 . . . . . 20 CYS HB73 . 27869 1 1269 . 2 2 1 1 HEM HDM H 1 7.248 0.002 . 1 . . . . . 20 CYS QDM . 27869 1 1270 . 2 2 1 1 HEM HMB H 1 15.615 0.004 . 1 . . . . . 20 CYS QM1 . 27869 1 1271 . 2 2 1 1 HEM HMBA H 1 15.615 0.004 . 1 . . . . . 20 CYS QM1 . 27869 1 1272 . 2 2 1 1 HEM HMBB H 1 15.615 0.004 . 1 . . . . . 20 CYS QM1 . 27869 1 1273 . 2 2 1 1 HEM HMC H 1 22.968 0.002 . 1 . . . . . 20 CYS QM3 . 27869 1 1274 . 2 2 1 1 HEM HMCA H 1 22.968 0.002 . 1 . . . . . 20 CYS QM3 . 27869 1 1275 . 2 2 1 1 HEM HMCB H 1 22.968 0.002 . 1 . . . . . 20 CYS QM3 . 27869 1 1276 . 2 2 1 1 HEM HMD H 1 18.545 0.011 . 1 . . . . . 20 CYS QM5 . 27869 1 1277 . 2 2 1 1 HEM HMDA H 1 18.545 0.011 . 1 . . . . . 20 CYS QM5 . 27869 1 1278 . 2 2 1 1 HEM HMDB H 1 18.545 0.011 . 1 . . . . . 20 CYS QM5 . 27869 1 1279 . 2 2 1 1 HEM HMA H 1 25.918 0.008 . 1 . . . . . 20 CYS QM8 . 27869 1 1280 . 2 2 1 1 HEM HMAA H 1 25.918 0.008 . 1 . . . . . 20 CYS QM8 . 27869 1 1281 . 2 2 1 1 HEM HMAB H 1 25.918 0.008 . 1 . . . . . 20 CYS QM8 . 27869 1 1282 . 2 2 1 1 HEM HBB H 1 0.278 0.001 . 1 . . . . . 20 CYS QT2 . 27869 1 1283 . 2 2 1 1 HEM HBBA H 1 0.278 0.001 . 1 . . . . . 20 CYS QT2 . 27869 1 1284 . 2 2 1 1 HEM HBC H 1 1.076 0.003 . 1 . . . . . 20 CYS QT4 . 27869 1 1285 . 2 2 1 1 HEM HBCA H 1 1.076 0.003 . 1 . . . . . 20 CYS QT4 . 27869 1 stop_ save_