################################### # 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 16999 _Assigned_chem_shift_list.ID 1 _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 '3D HNCO' . . . 16999 1 2 '3D HNCA' . . . 16999 1 3 '3D CBCA(CO)NH' . . . 16999 1 4 '3D HBHA(CO)NH' . . . 16999 1 5 '3D HCCH-TOCSY' . . . 16999 1 6 '3D (H)CCH-TOCSY' . . . 16999 1 7 '3D 1H-15N NOESY' . . . 16999 1 8 '3D 1H-13C NOESY' . . . 16999 1 9 '3D 1H-13C_arom NOESY' . . . 16999 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16999 1 2 $SPARKY . . 16999 1 3 $FMC . . 16999 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 3 3 MET HA H 1 4.411 0.04 . 1 . . . . . 1 MET HA . 16999 1 2 . 1 1 3 3 MET HB2 H 1 1.978 0.04 . 2 . . . . . 1 MET HB2 . 16999 1 3 . 1 1 3 3 MET HB3 H 1 1.978 0.04 . 2 . . . . . 1 MET HB3 . 16999 1 4 . 1 1 3 3 MET HE1 H 1 2.037 0.04 . 1 . . . . . 1 MET HE . 16999 1 5 . 1 1 3 3 MET HE2 H 1 2.037 0.04 . 1 . . . . . 1 MET HE . 16999 1 6 . 1 1 3 3 MET HE3 H 1 2.037 0.04 . 1 . . . . . 1 MET HE . 16999 1 7 . 1 1 3 3 MET HG2 H 1 2.459 0.04 . 2 . . . . . 1 MET HG2 . 16999 1 8 . 1 1 3 3 MET HG3 H 1 2.459 0.04 . 2 . . . . . 1 MET HG3 . 16999 1 9 . 1 1 3 3 MET C C 13 175.098 0.4 . 1 . . . . . 1 MET C . 16999 1 10 . 1 1 3 3 MET CA C 13 55.794 0.40 . 1 . . . . . 1 MET CA . 16999 1 11 . 1 1 3 3 MET CB C 13 34.423 0.40 . 1 . . . . . 1 MET CB . 16999 1 12 . 1 1 3 3 MET CE C 13 17.110 0.40 . 1 . . . . . 1 MET CE . 16999 1 13 . 1 1 3 3 MET CG C 13 31.436 0.40 . 1 . . . . . 1 MET CG . 16999 1 14 . 1 1 4 4 LEU H H 1 8.279 0.04 . 1 . . . . . 2 LEU H . 16999 1 15 . 1 1 4 4 LEU HA H 1 4.061 0.04 . 1 . . . . . 2 LEU HA . 16999 1 16 . 1 1 4 4 LEU HB2 H 1 1.496 0.04 . 2 . . . . . 2 LEU HB2 . 16999 1 17 . 1 1 4 4 LEU HB3 H 1 1.158 0.04 . 2 . . . . . 2 LEU HB3 . 16999 1 18 . 1 1 4 4 LEU HD11 H 1 0.693 0.04 . 1 . . . . . 2 LEU HD1 . 16999 1 19 . 1 1 4 4 LEU HD12 H 1 0.693 0.04 . 1 . . . . . 2 LEU HD1 . 16999 1 20 . 1 1 4 4 LEU HD13 H 1 0.693 0.04 . 1 . . . . . 2 LEU HD1 . 16999 1 21 . 1 1 4 4 LEU HD21 H 1 0.660 0.04 . 1 . . . . . 2 LEU HD2 . 16999 1 22 . 1 1 4 4 LEU HD22 H 1 0.660 0.04 . 1 . . . . . 2 LEU HD2 . 16999 1 23 . 1 1 4 4 LEU HD23 H 1 0.660 0.04 . 1 . . . . . 2 LEU HD2 . 16999 1 24 . 1 1 4 4 LEU HG H 1 1.417 0.04 . 1 . . . . . 2 LEU HG . 16999 1 25 . 1 1 4 4 LEU C C 13 175.876 0.4 . 1 . . . . . 2 LEU C . 16999 1 26 . 1 1 4 4 LEU CA C 13 54.566 0.40 . 1 . . . . . 2 LEU CA . 16999 1 27 . 1 1 4 4 LEU CB C 13 41.994 0.40 . 1 . . . . . 2 LEU CB . 16999 1 28 . 1 1 4 4 LEU CD1 C 13 24.544 0.40 . 1 . . . . . 2 LEU CD1 . 16999 1 29 . 1 1 4 4 LEU CD2 C 13 23.482 0.40 . 1 . . . . . 2 LEU CD2 . 16999 1 30 . 1 1 4 4 LEU CG C 13 27.077 0.40 . 1 . . . . . 2 LEU CG . 16999 1 31 . 1 1 4 4 LEU N N 15 125.158 0.40 . 1 . . . . . 2 LEU N . 16999 1 32 . 1 1 5 5 LEU H H 1 8.740 0.04 . 1 . . . . . 3 LEU H . 16999 1 33 . 1 1 5 5 LEU HA H 1 4.351 0.04 . 1 . . . . . 3 LEU HA . 16999 1 34 . 1 1 5 5 LEU HB2 H 1 1.895 0.04 . 2 . . . . . 3 LEU HB2 . 16999 1 35 . 1 1 5 5 LEU HB3 H 1 1.895 0.04 . 2 . . . . . 3 LEU HB3 . 16999 1 36 . 1 1 5 5 LEU HD11 H 1 0.706 0.04 . 1 . . . . . 3 LEU HD1 . 16999 1 37 . 1 1 5 5 LEU HD12 H 1 0.706 0.04 . 1 . . . . . 3 LEU HD1 . 16999 1 38 . 1 1 5 5 LEU HD13 H 1 0.706 0.04 . 1 . . . . . 3 LEU HD1 . 16999 1 39 . 1 1 5 5 LEU HD21 H 1 0.701 0.04 . 1 . . . . . 3 LEU HD2 . 16999 1 40 . 1 1 5 5 LEU HD22 H 1 0.701 0.04 . 1 . . . . . 3 LEU HD2 . 16999 1 41 . 1 1 5 5 LEU HD23 H 1 0.701 0.04 . 1 . . . . . 3 LEU HD2 . 16999 1 42 . 1 1 5 5 LEU C C 13 177.459 0.4 . 1 . . . . . 3 LEU C . 16999 1 43 . 1 1 5 5 LEU CA C 13 53.201 0.40 . 1 . . . . . 3 LEU CA . 16999 1 44 . 1 1 5 5 LEU CB C 13 41.269 0.40 . 1 . . . . . 3 LEU CB . 16999 1 45 . 1 1 5 5 LEU CD1 C 13 25.770 0.40 . 1 . . . . . 3 LEU CD1 . 16999 1 46 . 1 1 5 5 LEU CD2 C 13 21.956 0.40 . 1 . . . . . 3 LEU CD2 . 16999 1 47 . 1 1 5 5 LEU N N 15 123.691 0.40 . 1 . . . . . 3 LEU N . 16999 1 48 . 1 1 6 6 HIS H H 1 8.297 0.04 . 1 . . . . . 4 HIS H . 16999 1 49 . 1 1 6 6 HIS HA H 1 4.377 0.04 . 1 . . . . . 4 HIS HA . 16999 1 50 . 1 1 6 6 HIS HB2 H 1 3.149 0.04 . 2 . . . . . 4 HIS HB2 . 16999 1 51 . 1 1 6 6 HIS HB3 H 1 3.081 0.04 . 2 . . . . . 4 HIS HB3 . 16999 1 52 . 1 1 6 6 HIS C C 13 177.432 0.4 . 1 . . . . . 4 HIS C . 16999 1 53 . 1 1 6 6 HIS CA C 13 58.676 0.40 . 1 . . . . . 4 HIS CA . 16999 1 54 . 1 1 6 6 HIS CB C 13 30.197 0.40 . 1 . . . . . 4 HIS CB . 16999 1 55 . 1 1 6 6 HIS N N 15 123.350 0.40 . 1 . . . . . 4 HIS N . 16999 1 56 . 1 1 7 7 SER H H 1 7.505 0.04 . 1 . . . . . 5 SER H . 16999 1 57 . 1 1 7 7 SER HA H 1 5.040 0.04 . 1 . . . . . 5 SER HA . 16999 1 58 . 1 1 7 7 SER HB2 H 1 3.539 0.04 . 2 . . . . . 5 SER HB2 . 16999 1 59 . 1 1 7 7 SER HB3 H 1 3.452 0.04 . 2 . . . . . 5 SER HB3 . 16999 1 60 . 1 1 7 7 SER C C 13 172.840 0.4 . 1 . . . . . 5 SER C . 16999 1 61 . 1 1 7 7 SER CA C 13 57.049 0.40 . 1 . . . . . 5 SER CA . 16999 1 62 . 1 1 7 7 SER CB C 13 64.064 0.40 . 1 . . . . . 5 SER CB . 16999 1 63 . 1 1 7 7 SER N N 15 110.326 0.40 . 1 . . . . . 5 SER N . 16999 1 64 . 1 1 8 8 VAL H H 1 8.821 0.04 . 1 . . . . . 6 VAL H . 16999 1 65 . 1 1 8 8 VAL HA H 1 4.411 0.04 . 1 . . . . . 6 VAL HA . 16999 1 66 . 1 1 8 8 VAL HB H 1 1.624 0.04 . 1 . . . . . 6 VAL HB . 16999 1 67 . 1 1 8 8 VAL HG11 H 1 0.654 0.04 . 1 . . . . . 6 VAL HG1 . 16999 1 68 . 1 1 8 8 VAL HG12 H 1 0.654 0.04 . 1 . . . . . 6 VAL HG1 . 16999 1 69 . 1 1 8 8 VAL HG13 H 1 0.654 0.04 . 1 . . . . . 6 VAL HG1 . 16999 1 70 . 1 1 8 8 VAL HG21 H 1 0.570 0.04 . 1 . . . . . 6 VAL HG2 . 16999 1 71 . 1 1 8 8 VAL HG22 H 1 0.570 0.04 . 1 . . . . . 6 VAL HG2 . 16999 1 72 . 1 1 8 8 VAL HG23 H 1 0.570 0.04 . 1 . . . . . 6 VAL HG2 . 16999 1 73 . 1 1 8 8 VAL C C 13 172.492 0.4 . 1 . . . . . 6 VAL C . 16999 1 74 . 1 1 8 8 VAL CA C 13 59.642 0.40 . 1 . . . . . 6 VAL CA . 16999 1 75 . 1 1 8 8 VAL CB C 13 34.996 0.40 . 1 . . . . . 6 VAL CB . 16999 1 76 . 1 1 8 8 VAL CG1 C 13 21.765 0.40 . 1 . . . . . 6 VAL CG1 . 16999 1 77 . 1 1 8 8 VAL CG2 C 13 19.804 0.40 . 1 . . . . . 6 VAL CG2 . 16999 1 78 . 1 1 8 8 VAL N N 15 123.725 0.40 . 1 . . . . . 6 VAL N . 16999 1 79 . 1 1 9 9 GLU H H 1 8.311 0.04 . 1 . . . . . 7 GLU H . 16999 1 80 . 1 1 9 9 GLU HA H 1 4.179 0.04 . 1 . . . . . 7 GLU HA . 16999 1 81 . 1 1 9 9 GLU HB2 H 1 1.920 0.04 . 2 . . . . . 7 GLU HB2 . 16999 1 82 . 1 1 9 9 GLU HB3 H 1 1.920 0.04 . 2 . . . . . 7 GLU HB3 . 16999 1 83 . 1 1 9 9 GLU HG2 H 1 2.184 0.04 . 2 . . . . . 7 GLU HG2 . 16999 1 84 . 1 1 9 9 GLU HG3 H 1 2.184 0.04 . 2 . . . . . 7 GLU HG3 . 16999 1 85 . 1 1 9 9 GLU C C 13 175.535 0.4 . 1 . . . . . 7 GLU C . 16999 1 86 . 1 1 9 9 GLU CA C 13 56.776 0.40 . 1 . . . . . 7 GLU CA . 16999 1 87 . 1 1 9 9 GLU CB C 13 30.356 0.40 . 1 . . . . . 7 GLU CB . 16999 1 88 . 1 1 9 9 GLU CG C 13 36.203 0.40 . 1 . . . . . 7 GLU CG . 16999 1 89 . 1 1 9 9 GLU N N 15 127.666 0.40 . 1 . . . . . 7 GLU N . 16999 1 90 . 1 1 10 10 THR H H 1 7.404 0.04 . 1 . . . . . 8 THR H . 16999 1 91 . 1 1 10 10 THR HA H 1 5.129 0.04 . 1 . . . . . 8 THR HA . 16999 1 92 . 1 1 10 10 THR HB H 1 4.523 0.04 . 1 . . . . . 8 THR HB . 16999 1 93 . 1 1 10 10 THR HG21 H 1 1.054 0.04 . 1 . . . . . 8 THR HG2 . 16999 1 94 . 1 1 10 10 THR HG22 H 1 1.054 0.04 . 1 . . . . . 8 THR HG2 . 16999 1 95 . 1 1 10 10 THR HG23 H 1 1.054 0.04 . 1 . . . . . 8 THR HG2 . 16999 1 96 . 1 1 10 10 THR CA C 13 59.887 0.40 . 1 . . . . . 8 THR CA . 16999 1 97 . 1 1 10 10 THR CB C 13 70.067 0.40 . 1 . . . . . 8 THR CB . 16999 1 98 . 1 1 10 10 THR CG2 C 13 21.902 0.40 . 1 . . . . . 8 THR CG2 . 16999 1 99 . 1 1 10 10 THR N N 15 115.520 0.40 . 1 . . . . . 8 THR N . 16999 1 100 . 1 1 11 11 PRO HA H 1 4.460 0.04 . 1 . . . . . 9 PRO HA . 16999 1 101 . 1 1 11 11 PRO HB2 H 1 2.506 0.04 . 2 . . . . . 9 PRO HB2 . 16999 1 102 . 1 1 11 11 PRO HB3 H 1 1.923 0.04 . 2 . . . . . 9 PRO HB3 . 16999 1 103 . 1 1 11 11 PRO HD2 H 1 3.853 0.04 . 2 . . . . . 9 PRO HD2 . 16999 1 104 . 1 1 11 11 PRO HD3 H 1 4.005 0.04 . 2 . . . . . 9 PRO HD3 . 16999 1 105 . 1 1 11 11 PRO HG2 H 1 2.042 0.04 . 2 . . . . . 9 PRO HG2 . 16999 1 106 . 1 1 11 11 PRO HG3 H 1 2.196 0.04 . 2 . . . . . 9 PRO HG3 . 16999 1 107 . 1 1 11 11 PRO CA C 13 65.058 0.40 . 1 . . . . . 9 PRO CA . 16999 1 108 . 1 1 11 11 PRO CB C 13 32.115 0.40 . 1 . . . . . 9 PRO CB . 16999 1 109 . 1 1 11 11 PRO CD C 13 51.144 0.40 . 1 . . . . . 9 PRO CD . 16999 1 110 . 1 1 11 11 PRO CG C 13 28.003 0.40 . 1 . . . . . 9 PRO CG . 16999 1 111 . 1 1 12 12 ARG H H 1 7.855 0.04 . 1 . . . . . 10 ARG H . 16999 1 112 . 1 1 12 12 ARG HA H 1 4.508 0.04 . 1 . . . . . 10 ARG HA . 16999 1 113 . 1 1 12 12 ARG HB2 H 1 2.115 0.04 . 2 . . . . . 10 ARG HB2 . 16999 1 114 . 1 1 12 12 ARG HB3 H 1 1.743 0.04 . 2 . . . . . 10 ARG HB3 . 16999 1 115 . 1 1 12 12 ARG HD2 H 1 3.216 0.04 . 2 . . . . . 10 ARG HD2 . 16999 1 116 . 1 1 12 12 ARG HD3 H 1 3.216 0.04 . 2 . . . . . 10 ARG HD3 . 16999 1 117 . 1 1 12 12 ARG HG2 H 1 1.734 0.04 . 2 . . . . . 10 ARG HG2 . 16999 1 118 . 1 1 12 12 ARG HG3 H 1 1.689 0.04 . 2 . . . . . 10 ARG HG3 . 16999 1 119 . 1 1 12 12 ARG C C 13 175.276 0.4 . 1 . . . . . 10 ARG C . 16999 1 120 . 1 1 12 12 ARG CA C 13 54.730 0.40 . 1 . . . . . 10 ARG CA . 16999 1 121 . 1 1 12 12 ARG CB C 13 30.520 0.40 . 1 . . . . . 10 ARG CB . 16999 1 122 . 1 1 12 12 ARG CD C 13 43.449 0.40 . 1 . . . . . 10 ARG CD . 16999 1 123 . 1 1 12 12 ARG CG C 13 26.819 0.40 . 1 . . . . . 10 ARG CG . 16999 1 124 . 1 1 12 12 ARG N N 15 114.023 0.40 . 1 . . . . . 10 ARG N . 16999 1 125 . 1 1 13 13 GLY H H 1 7.752 0.04 . 1 . . . . . 11 GLY H . 16999 1 126 . 1 1 13 13 GLY HA2 H 1 4.484 0.04 . 2 . . . . . 11 GLY HA2 . 16999 1 127 . 1 1 13 13 GLY HA3 H 1 3.819 0.04 . 2 . . . . . 11 GLY HA3 . 16999 1 128 . 1 1 13 13 GLY C C 13 173.911 0.4 . 1 . . . . . 11 GLY C . 16999 1 129 . 1 1 13 13 GLY CA C 13 43.544 0.40 . 1 . . . . . 11 GLY CA . 16999 1 130 . 1 1 13 13 GLY N N 15 109.234 0.40 . 1 . . . . . 11 GLY N . 16999 1 131 . 1 1 14 14 GLU H H 1 8.544 0.04 . 1 . . . . . 12 GLU H . 16999 1 132 . 1 1 14 14 GLU HA H 1 4.539 0.04 . 1 . . . . . 12 GLU HA . 16999 1 133 . 1 1 14 14 GLU HB2 H 1 1.821 0.04 . 2 . . . . . 12 GLU HB2 . 16999 1 134 . 1 1 14 14 GLU HB3 H 1 1.821 0.04 . 2 . . . . . 12 GLU HB3 . 16999 1 135 . 1 1 14 14 GLU HG2 H 1 1.950 0.04 . 2 . . . . . 12 GLU HG2 . 16999 1 136 . 1 1 14 14 GLU HG3 H 1 1.805 0.04 . 2 . . . . . 12 GLU HG3 . 16999 1 137 . 1 1 14 14 GLU C C 13 175.549 0.4 . 1 . . . . . 12 GLU C . 16999 1 138 . 1 1 14 14 GLU CA C 13 56.667 0.40 . 1 . . . . . 12 GLU CA . 16999 1 139 . 1 1 14 14 GLU CB C 13 30.083 0.40 . 1 . . . . . 12 GLU CB . 16999 1 140 . 1 1 14 14 GLU CG C 13 36.407 0.40 . 1 . . . . . 12 GLU CG . 16999 1 141 . 1 1 14 14 GLU N N 15 123.359 0.40 . 1 . . . . . 12 GLU N . 16999 1 142 . 1 1 15 15 ILE H H 1 8.631 0.04 . 1 . . . . . 13 ILE H . 16999 1 143 . 1 1 15 15 ILE HA H 1 4.152 0.04 . 1 . . . . . 13 ILE HA . 16999 1 144 . 1 1 15 15 ILE HB H 1 1.301 0.04 . 1 . . . . . 13 ILE HB . 16999 1 145 . 1 1 15 15 ILE HD11 H 1 0.111 0.04 . 1 . . . . . 13 ILE HD1 . 16999 1 146 . 1 1 15 15 ILE HD12 H 1 0.111 0.04 . 1 . . . . . 13 ILE HD1 . 16999 1 147 . 1 1 15 15 ILE HD13 H 1 0.111 0.04 . 1 . . . . . 13 ILE HD1 . 16999 1 148 . 1 1 15 15 ILE HG12 H 1 1.113 0.04 . 2 . . . . . 13 ILE HG12 . 16999 1 149 . 1 1 15 15 ILE HG13 H 1 0.420 0.04 . 2 . . . . . 13 ILE HG13 . 16999 1 150 . 1 1 15 15 ILE HG21 H 1 0.095 0.04 . 1 . . . . . 13 ILE HG2 . 16999 1 151 . 1 1 15 15 ILE HG22 H 1 0.095 0.04 . 1 . . . . . 13 ILE HG2 . 16999 1 152 . 1 1 15 15 ILE HG23 H 1 0.095 0.04 . 1 . . . . . 13 ILE HG2 . 16999 1 153 . 1 1 15 15 ILE C C 13 174.273 0.4 . 1 . . . . . 13 ILE C . 16999 1 154 . 1 1 15 15 ILE CA C 13 58.022 0.40 . 1 . . . . . 13 ILE CA . 16999 1 155 . 1 1 15 15 ILE CB C 13 37.647 0.40 . 1 . . . . . 13 ILE CB . 16999 1 156 . 1 1 15 15 ILE CD1 C 13 10.052 0.40 . 1 . . . . . 13 ILE CD1 . 16999 1 157 . 1 1 15 15 ILE CG1 C 13 26.247 0.40 . 1 . . . . . 13 ILE CG1 . 16999 1 158 . 1 1 15 15 ILE CG2 C 13 17.080 0.40 . 1 . . . . . 13 ILE CG2 . 16999 1 159 . 1 1 15 15 ILE N N 15 128.400 0.40 . 1 . . . . . 13 ILE N . 16999 1 160 . 1 1 16 16 LEU H H 1 7.978 0.04 . 1 . . . . . 14 LEU H . 16999 1 161 . 1 1 16 16 LEU HA H 1 4.876 0.04 . 1 . . . . . 14 LEU HA . 16999 1 162 . 1 1 16 16 LEU HB2 H 1 1.546 0.04 . 2 . . . . . 14 LEU HB2 . 16999 1 163 . 1 1 16 16 LEU HB3 H 1 1.382 0.04 . 2 . . . . . 14 LEU HB3 . 16999 1 164 . 1 1 16 16 LEU HD11 H 1 0.782 0.04 . 1 . . . . . 14 LEU HD1 . 16999 1 165 . 1 1 16 16 LEU HD12 H 1 0.782 0.04 . 1 . . . . . 14 LEU HD1 . 16999 1 166 . 1 1 16 16 LEU HD13 H 1 0.782 0.04 . 1 . . . . . 14 LEU HD1 . 16999 1 167 . 1 1 16 16 LEU HD21 H 1 0.692 0.04 . 1 . . . . . 14 LEU HD2 . 16999 1 168 . 1 1 16 16 LEU HD22 H 1 0.692 0.04 . 1 . . . . . 14 LEU HD2 . 16999 1 169 . 1 1 16 16 LEU HD23 H 1 0.692 0.04 . 1 . . . . . 14 LEU HD2 . 16999 1 170 . 1 1 16 16 LEU HG H 1 1.548 0.04 . 1 . . . . . 14 LEU HG . 16999 1 171 . 1 1 16 16 LEU C C 13 177.084 0.4 . 1 . . . . . 14 LEU C . 16999 1 172 . 1 1 16 16 LEU CA C 13 53.528 0.40 . 1 . . . . . 14 LEU CA . 16999 1 173 . 1 1 16 16 LEU CB C 13 43.558 0.40 . 1 . . . . . 14 LEU CB . 16999 1 174 . 1 1 16 16 LEU CD1 C 13 25.116 0.40 . 1 . . . . . 14 LEU CD1 . 16999 1 175 . 1 1 16 16 LEU CD2 C 13 23.046 0.40 . 1 . . . . . 14 LEU CD2 . 16999 1 176 . 1 1 16 16 LEU CG C 13 27.731 0.40 . 1 . . . . . 14 LEU CG . 16999 1 177 . 1 1 16 16 LEU N N 15 124.041 0.40 . 1 . . . . . 14 LEU N . 16999 1 178 . 1 1 17 17 ASN H H 1 7.900 0.04 . 1 . . . . . 15 ASN H . 16999 1 179 . 1 1 17 17 ASN HA H 1 4.358 0.04 . 1 . . . . . 15 ASN HA . 16999 1 180 . 1 1 17 17 ASN HB2 H 1 2.673 0.04 . 2 . . . . . 15 ASN HB2 . 16999 1 181 . 1 1 17 17 ASN HB3 H 1 2.673 0.04 . 2 . . . . . 15 ASN HB3 . 16999 1 182 . 1 1 17 17 ASN HD21 H 1 6.685 0.04 . 1 . . . . . 15 ASN HD21 . 16999 1 183 . 1 1 17 17 ASN HD22 H 1 7.548 0.04 . 2 . . . . . 15 ASN HD22 . 16999 1 184 . 1 1 17 17 ASN C C 13 173.747 0.4 . 1 . . . . . 15 ASN C . 16999 1 185 . 1 1 17 17 ASN CA C 13 54.181 0.40 . 1 . . . . . 15 ASN CA . 16999 1 186 . 1 1 17 17 ASN CB C 13 37.238 0.40 . 1 . . . . . 15 ASN CB . 16999 1 187 . 1 1 17 17 ASN N N 15 118.412 0.40 . 1 . . . . . 15 ASN N . 16999 1 188 . 1 1 17 17 ASN ND2 N 15 113.386 0.04 . 1 . . . . . 15 ASN ND2 . 16999 1 189 . 1 1 18 18 VAL H H 1 7.655 0.04 . 1 . . . . . 16 VAL H . 16999 1 190 . 1 1 18 18 VAL HA H 1 4.779 0.04 . 1 . . . . . 16 VAL HA . 16999 1 191 . 1 1 18 18 VAL HB H 1 1.880 0.04 . 1 . . . . . 16 VAL HB . 16999 1 192 . 1 1 18 18 VAL HG11 H 1 0.620 0.04 . 1 . . . . . 16 VAL HG1 . 16999 1 193 . 1 1 18 18 VAL HG12 H 1 0.620 0.04 . 1 . . . . . 16 VAL HG1 . 16999 1 194 . 1 1 18 18 VAL HG13 H 1 0.620 0.04 . 1 . . . . . 16 VAL HG1 . 16999 1 195 . 1 1 18 18 VAL HG21 H 1 0.787 0.04 . 1 . . . . . 16 VAL HG2 . 16999 1 196 . 1 1 18 18 VAL HG22 H 1 0.787 0.04 . 1 . . . . . 16 VAL HG2 . 16999 1 197 . 1 1 18 18 VAL HG23 H 1 0.787 0.04 . 1 . . . . . 16 VAL HG2 . 16999 1 198 . 1 1 18 18 VAL C C 13 174.184 0.4 . 1 . . . . . 16 VAL C . 16999 1 199 . 1 1 18 18 VAL CA C 13 58.267 0.40 . 1 . . . . . 16 VAL CA . 16999 1 200 . 1 1 18 18 VAL CB C 13 35.821 0.40 . 1 . . . . . 16 VAL CB . 16999 1 201 . 1 1 18 18 VAL CG1 C 13 20.976 0.40 . 1 . . . . . 16 VAL CG1 . 16999 1 202 . 1 1 18 18 VAL CG2 C 13 19.886 0.40 . 1 . . . . . 16 VAL CG2 . 16999 1 203 . 1 1 18 18 VAL N N 15 113.260 0.40 . 1 . . . . . 16 VAL N . 16999 1 204 . 1 1 19 19 SER H H 1 9.033 0.04 . 1 . . . . . 17 SER H . 16999 1 205 . 1 1 19 19 SER HA H 1 4.744 0.04 . 1 . . . . . 17 SER HA . 16999 1 206 . 1 1 19 19 SER HB2 H 1 3.966 0.04 . 2 . . . . . 17 SER HB2 . 16999 1 207 . 1 1 19 19 SER HB3 H 1 4.350 0.04 . 2 . . . . . 17 SER HB3 . 16999 1 208 . 1 1 19 19 SER C C 13 175.057 0.4 . 1 . . . . . 17 SER C . 16999 1 209 . 1 1 19 19 SER CA C 13 57.432 0.40 . 1 . . . . . 17 SER CA . 16999 1 210 . 1 1 19 19 SER CB C 13 64.910 0.40 . 1 . . . . . 17 SER CB . 16999 1 211 . 1 1 19 19 SER N N 15 121.286 0.40 . 1 . . . . . 17 SER N . 16999 1 212 . 1 1 20 20 GLU H H 1 8.857 0.04 . 1 . . . . . 18 GLU H . 16999 1 213 . 1 1 20 20 GLU HA H 1 3.783 0.04 . 1 . . . . . 18 GLU HA . 16999 1 214 . 1 1 20 20 GLU HB2 H 1 2.061 0.04 . 2 . . . . . 18 GLU HB2 . 16999 1 215 . 1 1 20 20 GLU HB3 H 1 2.061 0.04 . 2 . . . . . 18 GLU HB3 . 16999 1 216 . 1 1 20 20 GLU HG2 H 1 2.429 0.04 . 2 . . . . . 18 GLU HG2 . 16999 1 217 . 1 1 20 20 GLU HG3 H 1 2.184 0.04 . 2 . . . . . 18 GLU HG3 . 16999 1 218 . 1 1 20 20 GLU C C 13 176.463 0.4 . 1 . . . . . 18 GLU C . 16999 1 219 . 1 1 20 20 GLU CA C 13 60.297 0.40 . 1 . . . . . 18 GLU CA . 16999 1 220 . 1 1 20 20 GLU CB C 13 30.192 0.40 . 1 . . . . . 18 GLU CB . 16999 1 221 . 1 1 20 20 GLU CG C 13 37.088 0.40 . 1 . . . . . 18 GLU CG . 16999 1 222 . 1 1 20 20 GLU N N 15 120.979 0.40 . 1 . . . . . 18 GLU N . 16999 1 223 . 1 1 21 21 GLN H H 1 8.291 0.04 . 1 . . . . . 19 GLN H . 16999 1 224 . 1 1 21 21 GLN HA H 1 3.949 0.04 . 1 . . . . . 19 GLN HA . 16999 1 225 . 1 1 21 21 GLN HB2 H 1 2.101 0.04 . 2 . . . . . 19 GLN HB2 . 16999 1 226 . 1 1 21 21 GLN HB3 H 1 1.972 0.04 . 2 . . . . . 19 GLN HB3 . 16999 1 227 . 1 1 21 21 GLN HE21 H 1 6.829 0.04 . 1 . . . . . 19 GLN HE21 . 16999 1 228 . 1 1 21 21 GLN HE22 H 1 7.965 0.04 . 2 . . . . . 19 GLN HE22 . 16999 1 229 . 1 1 21 21 GLN HG2 H 1 2.402 0.04 . 2 . . . . . 19 GLN HG2 . 16999 1 230 . 1 1 21 21 GLN HG3 H 1 2.402 0.04 . 2 . . . . . 19 GLN HG3 . 16999 1 231 . 1 1 21 21 GLN C C 13 177.787 0.4 . 1 . . . . . 19 GLN C . 16999 1 232 . 1 1 21 21 GLN CA C 13 59.657 0.40 . 1 . . . . . 19 GLN CA . 16999 1 233 . 1 1 21 21 GLN CB C 13 27.840 0.40 . 1 . . . . . 19 GLN CB . 16999 1 234 . 1 1 21 21 GLN CG C 13 33.479 0.40 . 1 . . . . . 19 GLN CG . 16999 1 235 . 1 1 21 21 GLN N N 15 116.928 0.40 . 1 . . . . . 19 GLN N . 16999 1 236 . 1 1 21 21 GLN NE2 N 15 113.650 0.04 . 1 . . . . . 19 GLN NE2 . 16999 1 237 . 1 1 22 22 GLU H H 1 7.895 0.04 . 1 . . . . . 20 GLU H . 16999 1 238 . 1 1 22 22 GLU HA H 1 3.945 0.04 . 1 . . . . . 20 GLU HA . 16999 1 239 . 1 1 22 22 GLU HB2 H 1 2.202 0.04 . 2 . . . . . 20 GLU HB2 . 16999 1 240 . 1 1 22 22 GLU HB3 H 1 1.985 0.04 . 2 . . . . . 20 GLU HB3 . 16999 1 241 . 1 1 22 22 GLU HG2 H 1 2.293 0.04 . 2 . . . . . 20 GLU HG2 . 16999 1 242 . 1 1 22 22 GLU HG3 H 1 2.199 0.04 . 2 . . . . . 20 GLU HG3 . 16999 1 243 . 1 1 22 22 GLU C C 13 179.704 0.4 . 1 . . . . . 20 GLU C . 16999 1 244 . 1 1 22 22 GLU CA C 13 59.793 0.40 . 1 . . . . . 20 GLU CA . 16999 1 245 . 1 1 22 22 GLU CB C 13 30.128 0.40 . 1 . . . . . 20 GLU CB . 16999 1 246 . 1 1 22 22 GLU CG C 13 37.510 0.40 . 1 . . . . . 20 GLU CG . 16999 1 247 . 1 1 22 22 GLU N N 15 119.819 0.40 . 1 . . . . . 20 GLU N . 16999 1 248 . 1 1 23 23 ALA H H 1 8.897 0.04 . 1 . . . . . 21 ALA H . 16999 1 249 . 1 1 23 23 ALA HA H 1 4.005 0.04 . 1 . . . . . 21 ALA HA . 16999 1 250 . 1 1 23 23 ALA HB1 H 1 1.332 0.04 . 1 . . . . . 21 ALA HB . 16999 1 251 . 1 1 23 23 ALA HB2 H 1 1.332 0.04 . 1 . . . . . 21 ALA HB . 16999 1 252 . 1 1 23 23 ALA HB3 H 1 1.332 0.04 . 1 . . . . . 21 ALA HB . 16999 1 253 . 1 1 23 23 ALA C C 13 177.909 0.4 . 1 . . . . . 21 ALA C . 16999 1 254 . 1 1 23 23 ALA CA C 13 56.006 0.40 . 1 . . . . . 21 ALA CA . 16999 1 255 . 1 1 23 23 ALA CB C 13 17.625 0.40 . 1 . . . . . 21 ALA CB . 16999 1 256 . 1 1 23 23 ALA N N 15 122.344 0.40 . 1 . . . . . 21 ALA N . 16999 1 257 . 1 1 24 24 ARG H H 1 7.847 0.04 . 1 . . . . . 22 ARG H . 16999 1 258 . 1 1 24 24 ARG HA H 1 4.110 0.04 . 1 . . . . . 22 ARG HA . 16999 1 259 . 1 1 24 24 ARG HB2 H 1 1.816 0.04 . 2 . . . . . 22 ARG HB2 . 16999 1 260 . 1 1 24 24 ARG HB3 H 1 1.816 0.04 . 2 . . . . . 22 ARG HB3 . 16999 1 261 . 1 1 24 24 ARG HD2 H 1 3.258 0.04 . 2 . . . . . 22 ARG HD2 . 16999 1 262 . 1 1 24 24 ARG HD3 H 1 3.164 0.04 . 2 . . . . . 22 ARG HD3 . 16999 1 263 . 1 1 24 24 ARG HG2 H 1 1.658 0.04 . 2 . . . . . 22 ARG HG2 . 16999 1 264 . 1 1 24 24 ARG HG3 H 1 1.521 0.04 . 2 . . . . . 22 ARG HG3 . 16999 1 265 . 1 1 24 24 ARG C C 13 178.626 0.4 . 1 . . . . . 22 ARG C . 16999 1 266 . 1 1 24 24 ARG CA C 13 59.178 0.40 . 1 . . . . . 22 ARG CA . 16999 1 267 . 1 1 24 24 ARG CB C 13 31.517 0.40 . 1 . . . . . 22 ARG CB . 16999 1 268 . 1 1 24 24 ARG CD C 13 43.476 0.40 . 1 . . . . . 22 ARG CD . 16999 1 269 . 1 1 24 24 ARG CG C 13 27.758 0.40 . 1 . . . . . 22 ARG CG . 16999 1 270 . 1 1 24 24 ARG N N 15 115.358 0.40 . 1 . . . . . 22 ARG N . 16999 1 271 . 1 1 25 25 ASP H H 1 8.778 0.04 . 1 . . . . . 23 ASP H . 16999 1 272 . 1 1 25 25 ASP HA H 1 4.398 0.04 . 1 . . . . . 23 ASP HA . 16999 1 273 . 1 1 25 25 ASP HB2 H 1 2.674 0.04 . 2 . . . . . 23 ASP HB2 . 16999 1 274 . 1 1 25 25 ASP HB3 H 1 2.620 0.04 . 2 . . . . . 23 ASP HB3 . 16999 1 275 . 1 1 25 25 ASP C C 13 177.473 0.4 . 1 . . . . . 23 ASP C . 16999 1 276 . 1 1 25 25 ASP CA C 13 57.376 0.40 . 1 . . . . . 23 ASP CA . 16999 1 277 . 1 1 25 25 ASP CB C 13 40.999 0.40 . 1 . . . . . 23 ASP CB . 16999 1 278 . 1 1 25 25 ASP N N 15 117.900 0.40 . 1 . . . . . 23 ASP N . 16999 1 279 . 1 1 26 26 VAL H H 1 8.449 0.04 . 1 . . . . . 24 VAL H . 16999 1 280 . 1 1 26 26 VAL HA H 1 3.799 0.04 . 1 . . . . . 24 VAL HA . 16999 1 281 . 1 1 26 26 VAL HB H 1 1.845 0.04 . 1 . . . . . 24 VAL HB . 16999 1 282 . 1 1 26 26 VAL HG11 H 1 0.810 0.04 . 1 . . . . . 24 VAL HG1 . 16999 1 283 . 1 1 26 26 VAL HG12 H 1 0.810 0.04 . 1 . . . . . 24 VAL HG1 . 16999 1 284 . 1 1 26 26 VAL HG13 H 1 0.810 0.04 . 1 . . . . . 24 VAL HG1 . 16999 1 285 . 1 1 26 26 VAL HG21 H 1 -0.033 0.04 . 1 . . . . . 24 VAL HG2 . 16999 1 286 . 1 1 26 26 VAL HG22 H 1 -0.033 0.04 . 1 . . . . . 24 VAL HG2 . 16999 1 287 . 1 1 26 26 VAL HG23 H 1 -0.033 0.04 . 1 . . . . . 24 VAL HG2 . 16999 1 288 . 1 1 26 26 VAL C C 13 177.712 0.4 . 1 . . . . . 24 VAL C . 16999 1 289 . 1 1 26 26 VAL CA C 13 64.315 0.40 . 1 . . . . . 24 VAL CA . 16999 1 290 . 1 1 26 26 VAL CB C 13 32.144 0.40 . 1 . . . . . 24 VAL CB . 16999 1 291 . 1 1 26 26 VAL CG1 C 13 21.629 0.40 . 1 . . . . . 24 VAL CG1 . 16999 1 292 . 1 1 26 26 VAL CG2 C 13 20.186 0.40 . 1 . . . . . 24 VAL CG2 . 16999 1 293 . 1 1 26 26 VAL N N 15 119.077 0.40 . 1 . . . . . 24 VAL N . 16999 1 294 . 1 1 27 27 PHE H H 1 7.058 0.04 . 1 . . . . . 25 PHE H . 16999 1 295 . 1 1 27 27 PHE HA H 1 4.418 0.04 . 1 . . . . . 25 PHE HA . 16999 1 296 . 1 1 27 27 PHE HB2 H 1 3.435 0.04 . 2 . . . . . 25 PHE HB2 . 16999 1 297 . 1 1 27 27 PHE HB3 H 1 3.036 0.04 . 2 . . . . . 25 PHE HB3 . 16999 1 298 . 1 1 27 27 PHE HD1 H 1 7.009 0.04 . 3 . . . . . 25 PHE HD1 . 16999 1 299 . 1 1 27 27 PHE HD2 H 1 7.009 0.04 . 3 . . . . . 25 PHE HD2 . 16999 1 300 . 1 1 27 27 PHE HE1 H 1 7.284 0.04 . 3 . . . . . 25 PHE HE1 . 16999 1 301 . 1 1 27 27 PHE HE2 H 1 7.284 0.04 . 3 . . . . . 25 PHE HE2 . 16999 1 302 . 1 1 27 27 PHE HZ H 1 7.234 0.04 . 1 . . . . . 25 PHE HZ . 16999 1 303 . 1 1 27 27 PHE C C 13 175.835 0.4 . 1 . . . . . 25 PHE C . 16999 1 304 . 1 1 27 27 PHE CA C 13 59.451 0.40 . 1 . . . . . 25 PHE CA . 16999 1 305 . 1 1 27 27 PHE CB C 13 40.073 0.40 . 1 . . . . . 25 PHE CB . 16999 1 306 . 1 1 27 27 PHE CD1 C 13 131.154 0.40 . 1 . . . . . 25 PHE CD1 . 16999 1 307 . 1 1 27 27 PHE CE1 C 13 131.699 0.40 . 1 . . . . . 25 PHE CE1 . 16999 1 308 . 1 1 27 27 PHE CZ C 13 130.092 0.40 . 1 . . . . . 25 PHE CZ . 16999 1 309 . 1 1 27 27 PHE N N 15 113.721 0.40 . 1 . . . . . 25 PHE N . 16999 1 310 . 1 1 28 28 GLY H H 1 7.047 0.04 . 1 . . . . . 26 GLY H . 16999 1 311 . 1 1 28 28 GLY HA2 H 1 3.940 0.04 . 2 . . . . . 26 GLY HA2 . 16999 1 312 . 1 1 28 28 GLY HA3 H 1 3.868 0.04 . 2 . . . . . 26 GLY HA3 . 16999 1 313 . 1 1 28 28 GLY C C 13 174.634 0.4 . 1 . . . . . 26 GLY C . 16999 1 314 . 1 1 28 28 GLY CA C 13 46.992 0.40 . 1 . . . . . 26 GLY CA . 16999 1 315 . 1 1 28 28 GLY N N 15 107.136 0.40 . 1 . . . . . 26 GLY N . 16999 1 316 . 1 1 29 29 ALA H H 1 8.434 0.04 . 1 . . . . . 27 ALA H . 16999 1 317 . 1 1 29 29 ALA HA H 1 4.394 0.04 . 1 . . . . . 27 ALA HA . 16999 1 318 . 1 1 29 29 ALA HB1 H 1 1.109 0.04 . 1 . . . . . 27 ALA HB . 16999 1 319 . 1 1 29 29 ALA HB2 H 1 1.109 0.04 . 1 . . . . . 27 ALA HB . 16999 1 320 . 1 1 29 29 ALA HB3 H 1 1.109 0.04 . 1 . . . . . 27 ALA HB . 16999 1 321 . 1 1 29 29 ALA C C 13 176.818 0.4 . 1 . . . . . 27 ALA C . 16999 1 322 . 1 1 29 29 ALA CA C 13 51.918 0.40 . 1 . . . . . 27 ALA CA . 16999 1 323 . 1 1 29 29 ALA CB C 13 19.722 0.40 . 1 . . . . . 27 ALA CB . 16999 1 324 . 1 1 29 29 ALA N N 15 121.175 0.40 . 1 . . . . . 27 ALA N . 16999 1 325 . 1 1 30 30 SER H H 1 8.947 0.04 . 1 . . . . . 28 SER H . 16999 1 326 . 1 1 30 30 SER HA H 1 4.418 0.04 . 1 . . . . . 28 SER HA . 16999 1 327 . 1 1 30 30 SER HB2 H 1 4.082 0.04 . 2 . . . . . 28 SER HB2 . 16999 1 328 . 1 1 30 30 SER HB3 H 1 4.082 0.04 . 2 . . . . . 28 SER HB3 . 16999 1 329 . 1 1 30 30 SER C C 13 174.539 0.4 . 1 . . . . . 28 SER C . 16999 1 330 . 1 1 30 30 SER CA C 13 56.940 0.40 . 1 . . . . . 28 SER CA . 16999 1 331 . 1 1 30 30 SER CB C 13 65.238 0.40 . 1 . . . . . 28 SER CB . 16999 1 332 . 1 1 30 30 SER N N 15 118.326 0.40 . 1 . . . . . 28 SER N . 16999 1 333 . 1 1 31 31 GLU H H 1 8.802 0.04 . 1 . . . . . 29 GLU H . 16999 1 334 . 1 1 31 31 GLU HA H 1 3.974 0.04 . 1 . . . . . 29 GLU HA . 16999 1 335 . 1 1 31 31 GLU HB2 H 1 2.053 0.04 . 2 . . . . . 29 GLU HB2 . 16999 1 336 . 1 1 31 31 GLU HB3 H 1 1.953 0.04 . 2 . . . . . 29 GLU HB3 . 16999 1 337 . 1 1 31 31 GLU HG2 H 1 2.411 0.04 . 2 . . . . . 29 GLU HG2 . 16999 1 338 . 1 1 31 31 GLU HG3 H 1 2.370 0.04 . 2 . . . . . 29 GLU HG3 . 16999 1 339 . 1 1 31 31 GLU C C 13 180.038 0.4 . 1 . . . . . 29 GLU C . 16999 1 340 . 1 1 31 31 GLU CA C 13 59.287 0.40 . 1 . . . . . 29 GLU CA . 16999 1 341 . 1 1 31 31 GLU CB C 13 28.892 0.40 . 1 . . . . . 29 GLU CB . 16999 1 342 . 1 1 31 31 GLU CG C 13 36.176 0.40 . 1 . . . . . 29 GLU CG . 16999 1 343 . 1 1 31 31 GLU N N 15 119.589 0.40 . 1 . . . . . 29 GLU N . 16999 1 344 . 1 1 32 32 GLN H H 1 8.547 0.04 . 1 . . . . . 30 GLN H . 16999 1 345 . 1 1 32 32 GLN HA H 1 3.975 0.04 . 1 . . . . . 30 GLN HA . 16999 1 346 . 1 1 32 32 GLN HB2 H 1 2.118 0.04 . 2 . . . . . 30 GLN HB2 . 16999 1 347 . 1 1 32 32 GLN HB3 H 1 1.924 0.04 . 2 . . . . . 30 GLN HB3 . 16999 1 348 . 1 1 32 32 GLN HE21 H 1 6.791 0.04 . 1 . . . . . 30 GLN HE21 . 16999 1 349 . 1 1 32 32 GLN HE22 H 1 7.530 0.04 . 2 . . . . . 30 GLN HE22 . 16999 1 350 . 1 1 32 32 GLN HG2 H 1 2.357 0.04 . 2 . . . . . 30 GLN HG2 . 16999 1 351 . 1 1 32 32 GLN HG3 H 1 2.357 0.04 . 2 . . . . . 30 GLN HG3 . 16999 1 352 . 1 1 32 32 GLN C C 13 176.968 0.4 . 1 . . . . . 30 GLN C . 16999 1 353 . 1 1 32 32 GLN CA C 13 58.577 0.40 . 1 . . . . . 30 GLN CA . 16999 1 354 . 1 1 32 32 GLN CB C 13 28.500 0.40 . 1 . . . . . 30 GLN CB . 16999 1 355 . 1 1 32 32 GLN CG C 13 33.615 0.40 . 1 . . . . . 30 GLN CG . 16999 1 356 . 1 1 32 32 GLN N N 15 120.186 0.40 . 1 . . . . . 30 GLN N . 16999 1 357 . 1 1 32 32 GLN NE2 N 15 112.560 0.04 . 1 . . . . . 30 GLN NE2 . 16999 1 358 . 1 1 33 33 ALA H H 1 7.990 0.04 . 1 . . . . . 31 ALA H . 16999 1 359 . 1 1 33 33 ALA HA H 1 4.172 0.04 . 1 . . . . . 31 ALA HA . 16999 1 360 . 1 1 33 33 ALA HB1 H 1 1.630 0.04 . 1 . . . . . 31 ALA HB . 16999 1 361 . 1 1 33 33 ALA HB2 H 1 1.630 0.04 . 1 . . . . . 31 ALA HB . 16999 1 362 . 1 1 33 33 ALA HB3 H 1 1.630 0.04 . 1 . . . . . 31 ALA HB . 16999 1 363 . 1 1 33 33 ALA C C 13 176.872 0.4 . 1 . . . . . 31 ALA C . 16999 1 364 . 1 1 33 33 ALA CA C 13 55.193 0.40 . 1 . . . . . 31 ALA CA . 16999 1 365 . 1 1 33 33 ALA CB C 13 18.865 0.40 . 1 . . . . . 31 ALA CB . 16999 1 366 . 1 1 33 33 ALA N N 15 123.111 0.40 . 1 . . . . . 31 ALA N . 16999 1 367 . 1 1 34 34 ILE H H 1 8.213 0.04 . 1 . . . . . 32 ILE H . 16999 1 368 . 1 1 34 34 ILE HA H 1 3.461 0.04 . 1 . . . . . 32 ILE HA . 16999 1 369 . 1 1 34 34 ILE HB H 1 1.856 0.04 . 1 . . . . . 32 ILE HB . 16999 1 370 . 1 1 34 34 ILE HD11 H 1 0.706 0.04 . 1 . . . . . 32 ILE HD1 . 16999 1 371 . 1 1 34 34 ILE HD12 H 1 0.706 0.04 . 1 . . . . . 32 ILE HD1 . 16999 1 372 . 1 1 34 34 ILE HD13 H 1 0.706 0.04 . 1 . . . . . 32 ILE HD1 . 16999 1 373 . 1 1 34 34 ILE HG12 H 1 1.681 0.04 . 2 . . . . . 32 ILE HG12 . 16999 1 374 . 1 1 34 34 ILE HG13 H 1 0.651 0.04 . 2 . . . . . 32 ILE HG13 . 16999 1 375 . 1 1 34 34 ILE HG21 H 1 0.860 0.04 . 1 . . . . . 32 ILE HG2 . 16999 1 376 . 1 1 34 34 ILE HG22 H 1 0.860 0.04 . 1 . . . . . 32 ILE HG2 . 16999 1 377 . 1 1 34 34 ILE HG23 H 1 0.860 0.04 . 1 . . . . . 32 ILE HG2 . 16999 1 378 . 1 1 34 34 ILE C C 13 176.831 0.4 . 1 . . . . . 32 ILE C . 16999 1 379 . 1 1 34 34 ILE CA C 13 65.585 0.40 . 1 . . . . . 32 ILE CA . 16999 1 380 . 1 1 34 34 ILE CB C 13 38.083 0.40 . 1 . . . . . 32 ILE CB . 16999 1 381 . 1 1 34 34 ILE CD1 C 13 13.757 0.40 . 1 . . . . . 32 ILE CD1 . 16999 1 382 . 1 1 34 34 ILE CG1 C 13 30.142 0.40 . 1 . . . . . 32 ILE CG1 . 16999 1 383 . 1 1 34 34 ILE CG2 C 13 17.462 0.40 . 1 . . . . . 32 ILE CG2 . 16999 1 384 . 1 1 34 34 ILE N N 15 120.373 0.40 . 1 . . . . . 32 ILE N . 16999 1 385 . 1 1 35 35 ALA H H 1 8.228 0.04 . 1 . . . . . 33 ALA H . 16999 1 386 . 1 1 35 35 ALA HA H 1 4.022 0.04 . 1 . . . . . 33 ALA HA . 16999 1 387 . 1 1 35 35 ALA HB1 H 1 1.491 0.04 . 1 . . . . . 33 ALA HB . 16999 1 388 . 1 1 35 35 ALA HB2 H 1 1.491 0.04 . 1 . . . . . 33 ALA HB . 16999 1 389 . 1 1 35 35 ALA HB3 H 1 1.491 0.04 . 1 . . . . . 33 ALA HB . 16999 1 390 . 1 1 35 35 ALA C C 13 181.458 0.4 . 1 . . . . . 33 ALA C . 16999 1 391 . 1 1 35 35 ALA CA C 13 55.685 0.40 . 1 . . . . . 33 ALA CA . 16999 1 392 . 1 1 35 35 ALA CB C 13 17.856 0.40 . 1 . . . . . 33 ALA CB . 16999 1 393 . 1 1 35 35 ALA N N 15 123.725 0.40 . 1 . . . . . 33 ALA N . 16999 1 394 . 1 1 36 36 ASP H H 1 8.687 0.04 . 1 . . . . . 34 ASP H . 16999 1 395 . 1 1 36 36 ASP HA H 1 4.382 0.04 . 1 . . . . . 34 ASP HA . 16999 1 396 . 1 1 36 36 ASP HB2 H 1 2.753 0.04 . 2 . . . . . 34 ASP HB2 . 16999 1 397 . 1 1 36 36 ASP HB3 H 1 2.664 0.04 . 2 . . . . . 34 ASP HB3 . 16999 1 398 . 1 1 36 36 ASP C C 13 179.097 0.4 . 1 . . . . . 34 ASP C . 16999 1 399 . 1 1 36 36 ASP CA C 13 57.269 0.40 . 1 . . . . . 34 ASP CA . 16999 1 400 . 1 1 36 36 ASP CB C 13 40.058 0.40 . 1 . . . . . 34 ASP CB . 16999 1 401 . 1 1 36 36 ASP N N 15 119.845 0.40 . 1 . . . . . 34 ASP N . 16999 1 402 . 1 1 37 37 ALA H H 1 8.160 0.04 . 1 . . . . . 35 ALA H . 16999 1 403 . 1 1 37 37 ALA HA H 1 4.481 0.04 . 1 . . . . . 35 ALA HA . 16999 1 404 . 1 1 37 37 ALA HB1 H 1 1.748 0.04 . 1 . . . . . 35 ALA HB . 16999 1 405 . 1 1 37 37 ALA HB2 H 1 1.748 0.04 . 1 . . . . . 35 ALA HB . 16999 1 406 . 1 1 37 37 ALA HB3 H 1 1.748 0.04 . 1 . . . . . 35 ALA HB . 16999 1 407 . 1 1 37 37 ALA C C 13 180.973 0.4 . 1 . . . . . 35 ALA C . 16999 1 408 . 1 1 37 37 ALA CA C 13 54.674 0.40 . 1 . . . . . 35 ALA CA . 16999 1 409 . 1 1 37 37 ALA CB C 13 21.158 0.40 . 1 . . . . . 35 ALA CB . 16999 1 410 . 1 1 37 37 ALA N N 15 124.374 0.40 . 1 . . . . . 35 ALA N . 16999 1 411 . 1 1 38 38 ARG H H 1 9.195 0.04 . 1 . . . . . 36 ARG H . 16999 1 412 . 1 1 38 38 ARG HA H 1 3.753 0.04 . 1 . . . . . 36 ARG HA . 16999 1 413 . 1 1 38 38 ARG HB2 H 1 1.917 0.04 . 2 . . . . . 36 ARG HB2 . 16999 1 414 . 1 1 38 38 ARG HB3 H 1 1.917 0.04 . 2 . . . . . 36 ARG HB3 . 16999 1 415 . 1 1 38 38 ARG HD2 H 1 3.258 0.04 . 2 . . . . . 36 ARG HD2 . 16999 1 416 . 1 1 38 38 ARG HD3 H 1 3.258 0.04 . 2 . . . . . 36 ARG HD3 . 16999 1 417 . 1 1 38 38 ARG HG2 H 1 1.710 0.04 . 2 . . . . . 36 ARG HG2 . 16999 1 418 . 1 1 38 38 ARG HG3 H 1 1.528 0.04 . 2 . . . . . 36 ARG HG3 . 16999 1 419 . 1 1 38 38 ARG C C 13 177.923 0.4 . 1 . . . . . 36 ARG C . 16999 1 420 . 1 1 38 38 ARG CA C 13 60.243 0.40 . 1 . . . . . 36 ARG CA . 16999 1 421 . 1 1 38 38 ARG CB C 13 30.438 0.40 . 1 . . . . . 36 ARG CB . 16999 1 422 . 1 1 38 38 ARG CD C 13 43.530 0.40 . 1 . . . . . 36 ARG CD . 16999 1 423 . 1 1 38 38 ARG CG C 13 27.854 0.40 . 1 . . . . . 36 ARG CG . 16999 1 424 . 1 1 38 38 ARG N N 15 123.802 0.40 . 1 . . . . . 36 ARG N . 16999 1 425 . 1 1 39 39 LYS H H 1 7.750 0.04 . 1 . . . . . 37 LYS H . 16999 1 426 . 1 1 39 39 LYS HA H 1 3.942 0.04 . 1 . . . . . 37 LYS HA . 16999 1 427 . 1 1 39 39 LYS HB2 H 1 1.937 0.04 . 2 . . . . . 37 LYS HB2 . 16999 1 428 . 1 1 39 39 LYS HB3 H 1 1.937 0.04 . 2 . . . . . 37 LYS HB3 . 16999 1 429 . 1 1 39 39 LYS HD2 H 1 1.709 0.04 . 2 . . . . . 37 LYS HD2 . 16999 1 430 . 1 1 39 39 LYS HD3 H 1 1.709 0.04 . 2 . . . . . 37 LYS HD3 . 16999 1 431 . 1 1 39 39 LYS HE2 H 1 2.943 0.04 . 2 . . . . . 37 LYS HE2 . 16999 1 432 . 1 1 39 39 LYS HE3 H 1 2.943 0.04 . 2 . . . . . 37 LYS HE3 . 16999 1 433 . 1 1 39 39 LYS HG2 H 1 1.582 0.04 . 2 . . . . . 37 LYS HG2 . 16999 1 434 . 1 1 39 39 LYS HG3 H 1 1.421 0.04 . 2 . . . . . 37 LYS HG3 . 16999 1 435 . 1 1 39 39 LYS C C 13 178.496 0.4 . 1 . . . . . 37 LYS C . 16999 1 436 . 1 1 39 39 LYS CA C 13 59.778 0.40 . 1 . . . . . 37 LYS CA . 16999 1 437 . 1 1 39 39 LYS CB C 13 32.485 0.40 . 1 . . . . . 37 LYS CB . 16999 1 438 . 1 1 39 39 LYS CD C 13 29.502 0.40 . 1 . . . . . 37 LYS CD . 16999 1 439 . 1 1 39 39 LYS CE C 13 42.168 0.40 . 1 . . . . . 37 LYS CE . 16999 1 440 . 1 1 39 39 LYS CG C 13 24.980 0.40 . 1 . . . . . 37 LYS CG . 16999 1 441 . 1 1 39 39 LYS N N 15 118.847 0.40 . 1 . . . . . 37 LYS N . 16999 1 442 . 1 1 40 40 ALA H H 1 8.006 0.04 . 1 . . . . . 38 ALA H . 16999 1 443 . 1 1 40 40 ALA HA H 1 4.155 0.04 . 1 . . . . . 38 ALA HA . 16999 1 444 . 1 1 40 40 ALA HB1 H 1 1.575 0.04 . 1 . . . . . 38 ALA HB . 16999 1 445 . 1 1 40 40 ALA HB2 H 1 1.575 0.04 . 1 . . . . . 38 ALA HB . 16999 1 446 . 1 1 40 40 ALA HB3 H 1 1.575 0.04 . 1 . . . . . 38 ALA HB . 16999 1 447 . 1 1 40 40 ALA C C 13 180.844 0.4 . 1 . . . . . 38 ALA C . 16999 1 448 . 1 1 40 40 ALA CA C 13 55.162 0.40 . 1 . . . . . 38 ALA CA . 16999 1 449 . 1 1 40 40 ALA CB C 13 18.551 0.40 . 1 . . . . . 38 ALA CB . 16999 1 450 . 1 1 40 40 ALA N N 15 120.169 0.40 . 1 . . . . . 38 ALA N . 16999 1 451 . 1 1 41 41 THR H H 1 8.434 0.04 . 1 . . . . . 39 THR H . 16999 1 452 . 1 1 41 41 THR HA H 1 3.829 0.04 . 1 . . . . . 39 THR HA . 16999 1 453 . 1 1 41 41 THR HB H 1 4.346 0.04 . 1 . . . . . 39 THR HB . 16999 1 454 . 1 1 41 41 THR HG21 H 1 0.985 0.04 . 1 . . . . . 39 THR HG2 . 16999 1 455 . 1 1 41 41 THR HG22 H 1 0.985 0.04 . 1 . . . . . 39 THR HG2 . 16999 1 456 . 1 1 41 41 THR HG23 H 1 0.985 0.04 . 1 . . . . . 39 THR HG2 . 16999 1 457 . 1 1 41 41 THR CA C 13 67.720 0.40 . 1 . . . . . 39 THR CA . 16999 1 458 . 1 1 41 41 THR CB C 13 69.272 0.40 . 1 . . . . . 39 THR CB . 16999 1 459 . 1 1 41 41 THR CG2 C 13 20.267 0.40 . 1 . . . . . 39 THR CG2 . 16999 1 460 . 1 1 41 41 THR N N 15 116.928 0.40 . 1 . . . . . 39 THR N . 16999 1 461 . 1 1 42 42 ILE HA H 1 3.537 0.04 . 1 . . . . . 40 ILE HA . 16999 1 462 . 1 1 42 42 ILE HB H 1 1.892 0.04 . 1 . . . . . 40 ILE HB . 16999 1 463 . 1 1 42 42 ILE HD11 H 1 0.744 0.04 . 1 . . . . . 40 ILE HD1 . 16999 1 464 . 1 1 42 42 ILE HD12 H 1 0.744 0.04 . 1 . . . . . 40 ILE HD1 . 16999 1 465 . 1 1 42 42 ILE HD13 H 1 0.744 0.04 . 1 . . . . . 40 ILE HD1 . 16999 1 466 . 1 1 42 42 ILE HG21 H 1 0.763 0.04 . 1 . . . . . 40 ILE HG2 . 16999 1 467 . 1 1 42 42 ILE HG22 H 1 0.763 0.04 . 1 . . . . . 40 ILE HG2 . 16999 1 468 . 1 1 42 42 ILE HG23 H 1 0.763 0.04 . 1 . . . . . 40 ILE HG2 . 16999 1 469 . 1 1 42 42 ILE CA C 13 66.167 0.40 . 1 . . . . . 40 ILE CA . 16999 1 470 . 1 1 42 42 ILE CB C 13 37.919 0.40 . 1 . . . . . 40 ILE CB . 16999 1 471 . 1 1 42 42 ILE CD1 C 13 13.648 0.40 . 1 . . . . . 40 ILE CD1 . 16999 1 472 . 1 1 42 42 ILE CG2 C 13 17.026 0.40 . 1 . . . . . 40 ILE CG2 . 16999 1 473 . 1 1 43 43 LEU HA H 1 4.022 0.04 . 1 . . . . . 41 LEU HA . 16999 1 474 . 1 1 43 43 LEU HB2 H 1 1.767 0.04 . 2 . . . . . 41 LEU HB2 . 16999 1 475 . 1 1 43 43 LEU HB3 H 1 1.630 0.04 . 2 . . . . . 41 LEU HB3 . 16999 1 476 . 1 1 43 43 LEU HD11 H 1 0.921 0.04 . 1 . . . . . 41 LEU HD1 . 16999 1 477 . 1 1 43 43 LEU HD12 H 1 0.921 0.04 . 1 . . . . . 41 LEU HD1 . 16999 1 478 . 1 1 43 43 LEU HD13 H 1 0.921 0.04 . 1 . . . . . 41 LEU HD1 . 16999 1 479 . 1 1 43 43 LEU HD21 H 1 0.876 0.04 . 1 . . . . . 41 LEU HD2 . 16999 1 480 . 1 1 43 43 LEU HD22 H 1 0.876 0.04 . 1 . . . . . 41 LEU HD2 . 16999 1 481 . 1 1 43 43 LEU HD23 H 1 0.876 0.04 . 1 . . . . . 41 LEU HD2 . 16999 1 482 . 1 1 43 43 LEU HG H 1 1.642 0.04 . 1 . . . . . 41 LEU HG . 16999 1 483 . 1 1 43 43 LEU C C 13 178.960 0.4 . 1 . . . . . 41 LEU C . 16999 1 484 . 1 1 43 43 LEU CA C 13 58.142 0.40 . 1 . . . . . 41 LEU CA . 16999 1 485 . 1 1 43 43 LEU CB C 13 41.765 0.40 . 1 . . . . . 41 LEU CB . 16999 1 486 . 1 1 43 43 LEU CD1 C 13 24.462 0.40 . 1 . . . . . 41 LEU CD1 . 16999 1 487 . 1 1 43 43 LEU CD2 C 13 24.217 0.40 . 1 . . . . . 41 LEU CD2 . 16999 1 488 . 1 1 43 43 LEU CG C 13 27.105 0.40 . 1 . . . . . 41 LEU CG . 16999 1 489 . 1 1 44 44 GLN H H 1 8.108 0.04 . 1 . . . . . 42 GLN H . 16999 1 490 . 1 1 44 44 GLN HA H 1 4.145 0.04 . 1 . . . . . 42 GLN HA . 16999 1 491 . 1 1 44 44 GLN HB2 H 1 2.192 0.04 . 2 . . . . . 42 GLN HB2 . 16999 1 492 . 1 1 44 44 GLN HB3 H 1 2.256 0.04 . 2 . . . . . 42 GLN HB3 . 16999 1 493 . 1 1 44 44 GLN HE21 H 1 6.679 0.04 . 1 . . . . . 42 GLN HE21 . 16999 1 494 . 1 1 44 44 GLN HE22 H 1 7.420 0.04 . 2 . . . . . 42 GLN HE22 . 16999 1 495 . 1 1 44 44 GLN HG2 H 1 2.454 0.04 . 2 . . . . . 42 GLN HG2 . 16999 1 496 . 1 1 44 44 GLN HG3 H 1 2.454 0.04 . 2 . . . . . 42 GLN HG3 . 16999 1 497 . 1 1 44 44 GLN C C 13 178.196 0.4 . 1 . . . . . 42 GLN C . 16999 1 498 . 1 1 44 44 GLN CA C 13 58.851 0.40 . 1 . . . . . 42 GLN CA . 16999 1 499 . 1 1 44 44 GLN CB C 13 28.501 0.40 . 1 . . . . . 42 GLN CB . 16999 1 500 . 1 1 44 44 GLN CG C 13 33.506 0.40 . 1 . . . . . 42 GLN CG . 16999 1 501 . 1 1 44 44 GLN N N 15 117.346 0.40 . 1 . . . . . 42 GLN N . 16999 1 502 . 1 1 44 44 GLN NE2 N 15 111.265 0.04 . 1 . . . . . 42 GLN NE2 . 16999 1 503 . 1 1 45 45 THR H H 1 8.176 0.04 . 1 . . . . . 43 THR H . 16999 1 504 . 1 1 45 45 THR HA H 1 3.991 0.04 . 1 . . . . . 43 THR HA . 16999 1 505 . 1 1 45 45 THR HB H 1 4.394 0.04 . 1 . . . . . 43 THR HB . 16999 1 506 . 1 1 45 45 THR HG21 H 1 1.335 0.04 . 1 . . . . . 43 THR HG2 . 16999 1 507 . 1 1 45 45 THR HG22 H 1 1.335 0.04 . 1 . . . . . 43 THR HG2 . 16999 1 508 . 1 1 45 45 THR HG23 H 1 1.335 0.04 . 1 . . . . . 43 THR HG2 . 16999 1 509 . 1 1 45 45 THR C C 13 174.784 0.4 . 1 . . . . . 43 THR C . 16999 1 510 . 1 1 45 45 THR CA C 13 67.123 0.40 . 1 . . . . . 43 THR CA . 16999 1 511 . 1 1 45 45 THR CB C 13 68.925 0.40 . 1 . . . . . 43 THR CB . 16999 1 512 . 1 1 45 45 THR CG2 C 13 21.684 0.40 . 1 . . . . . 43 THR CG2 . 16999 1 513 . 1 1 45 45 THR N N 15 115.785 0.40 . 1 . . . . . 43 THR N . 16999 1 514 . 1 1 46 46 LEU H H 1 8.388 0.04 . 1 . . . . . 44 LEU H . 16999 1 515 . 1 1 46 46 LEU HA H 1 3.919 0.04 . 1 . . . . . 44 LEU HA . 16999 1 516 . 1 1 46 46 LEU HB2 H 1 1.772 0.04 . 2 . . . . . 44 LEU HB2 . 16999 1 517 . 1 1 46 46 LEU HB3 H 1 1.656 0.04 . 2 . . . . . 44 LEU HB3 . 16999 1 518 . 1 1 46 46 LEU HD11 H 1 0.984 0.04 . 1 . . . . . 44 LEU HD1 . 16999 1 519 . 1 1 46 46 LEU HD12 H 1 0.984 0.04 . 1 . . . . . 44 LEU HD1 . 16999 1 520 . 1 1 46 46 LEU HD13 H 1 0.984 0.04 . 1 . . . . . 44 LEU HD1 . 16999 1 521 . 1 1 46 46 LEU HD21 H 1 0.890 0.04 . 1 . . . . . 44 LEU HD2 . 16999 1 522 . 1 1 46 46 LEU HD22 H 1 0.890 0.04 . 1 . . . . . 44 LEU HD2 . 16999 1 523 . 1 1 46 46 LEU HD23 H 1 0.890 0.04 . 1 . . . . . 44 LEU HD2 . 16999 1 524 . 1 1 46 46 LEU HG H 1 1.739 0.04 . 1 . . . . . 44 LEU HG . 16999 1 525 . 1 1 46 46 LEU CA C 13 57.532 0.40 . 1 . . . . . 44 LEU CA . 16999 1 526 . 1 1 46 46 LEU CB C 13 41.447 0.40 . 1 . . . . . 44 LEU CB . 16999 1 527 . 1 1 46 46 LEU CD1 C 13 25.688 0.40 . 1 . . . . . 44 LEU CD1 . 16999 1 528 . 1 1 46 46 LEU CD2 C 13 23.400 0.40 . 1 . . . . . 44 LEU CD2 . 16999 1 529 . 1 1 46 46 LEU CG C 13 27.380 0.40 . 1 . . . . . 44 LEU CG . 16999 1 530 . 1 1 46 46 LEU N N 15 122.753 0.40 . 1 . . . . . 44 LEU N . 16999 1 531 . 1 1 48 48 ILE HA H 1 3.845 0.04 . 1 . . . . . 46 ILE HA . 16999 1 532 . 1 1 48 48 ILE HB H 1 1.982 0.04 . 1 . . . . . 46 ILE HB . 16999 1 533 . 1 1 48 48 ILE HD11 H 1 0.870 0.04 . 1 . . . . . 46 ILE HD1 . 16999 1 534 . 1 1 48 48 ILE HD12 H 1 0.870 0.04 . 1 . . . . . 46 ILE HD1 . 16999 1 535 . 1 1 48 48 ILE HD13 H 1 0.870 0.04 . 1 . . . . . 46 ILE HD1 . 16999 1 536 . 1 1 48 48 ILE HG12 H 1 1.780 0.04 . 2 . . . . . 46 ILE HG12 . 16999 1 537 . 1 1 48 48 ILE HG13 H 1 1.235 0.04 . 2 . . . . . 46 ILE HG13 . 16999 1 538 . 1 1 48 48 ILE HG21 H 1 0.958 0.04 . 1 . . . . . 46 ILE HG2 . 16999 1 539 . 1 1 48 48 ILE HG22 H 1 0.958 0.04 . 1 . . . . . 46 ILE HG2 . 16999 1 540 . 1 1 48 48 ILE HG23 H 1 0.958 0.04 . 1 . . . . . 46 ILE HG2 . 16999 1 541 . 1 1 48 48 ILE C C 13 178.988 0.4 . 1 . . . . . 46 ILE C . 16999 1 542 . 1 1 48 48 ILE CA C 13 64.855 0.40 . 1 . . . . . 46 ILE CA . 16999 1 543 . 1 1 48 48 ILE CB C 13 38.053 0.40 . 1 . . . . . 46 ILE CB . 16999 1 544 . 1 1 48 48 ILE CD1 C 13 13.267 0.40 . 1 . . . . . 46 ILE CD1 . 16999 1 545 . 1 1 48 48 ILE CG1 C 13 29.311 0.40 . 1 . . . . . 46 ILE CG1 . 16999 1 546 . 1 1 48 48 ILE CG2 C 13 17.216 0.40 . 1 . . . . . 46 ILE CG2 . 16999 1 547 . 1 1 49 49 GLU H H 1 8.080 0.04 . 1 . . . . . 47 GLU H . 16999 1 548 . 1 1 49 49 GLU HA H 1 4.020 0.04 . 1 . . . . . 47 GLU HA . 16999 1 549 . 1 1 49 49 GLU HB2 H 1 2.209 0.04 . 2 . . . . . 47 GLU HB2 . 16999 1 550 . 1 1 49 49 GLU HB3 H 1 2.031 0.04 . 2 . . . . . 47 GLU HB3 . 16999 1 551 . 1 1 49 49 GLU HG2 H 1 2.034 0.04 . 2 . . . . . 47 GLU HG2 . 16999 1 552 . 1 1 49 49 GLU HG3 H 1 1.931 0.04 . 2 . . . . . 47 GLU HG3 . 16999 1 553 . 1 1 49 49 GLU C C 13 175.139 0.4 . 1 . . . . . 47 GLU C . 16999 1 554 . 1 1 49 49 GLU CA C 13 59.233 0.40 . 1 . . . . . 47 GLU CA . 16999 1 555 . 1 1 49 49 GLU CB C 13 29.210 0.40 . 1 . . . . . 47 GLU CB . 16999 1 556 . 1 1 49 49 GLU CG C 13 36.148 0.40 . 1 . . . . . 47 GLU CG . 16999 1 557 . 1 1 49 49 GLU N N 15 121.056 0.40 . 1 . . . . . 47 GLU N . 16999 1 558 . 1 1 50 50 ARG H H 1 9.022 0.04 . 1 . . . . . 48 ARG H . 16999 1 559 . 1 1 50 50 ARG HA H 1 3.938 0.04 . 1 . . . . . 48 ARG HA . 16999 1 560 . 1 1 50 50 ARG HB2 H 1 1.983 0.04 . 2 . . . . . 48 ARG HB2 . 16999 1 561 . 1 1 50 50 ARG HB3 H 1 1.983 0.04 . 2 . . . . . 48 ARG HB3 . 16999 1 562 . 1 1 50 50 ARG C C 13 178.278 0.4 . 1 . . . . . 48 ARG C . 16999 1 563 . 1 1 50 50 ARG CA C 13 60.134 0.40 . 1 . . . . . 48 ARG CA . 16999 1 564 . 1 1 50 50 ARG CB C 13 29.840 0.40 . 1 . . . . . 48 ARG CB . 16999 1 565 . 1 1 50 50 ARG N N 15 121.286 0.40 . 1 . . . . . 48 ARG N . 16999 1 566 . 1 1 51 51 ASP H H 1 8.570 0.04 . 1 . . . . . 49 ASP H . 16999 1 567 . 1 1 51 51 ASP HA H 1 4.449 0.04 . 1 . . . . . 49 ASP HA . 16999 1 568 . 1 1 51 51 ASP HB2 H 1 2.919 0.04 . 2 . . . . . 49 ASP HB2 . 16999 1 569 . 1 1 51 51 ASP HB3 H 1 2.650 0.04 . 2 . . . . . 49 ASP HB3 . 16999 1 570 . 1 1 51 51 ASP CA C 13 57.723 0.40 . 1 . . . . . 49 ASP CA . 16999 1 571 . 1 1 51 51 ASP CB C 13 39.553 0.40 . 1 . . . . . 49 ASP CB . 16999 1 572 . 1 1 51 51 ASP N N 15 119.742 0.40 . 1 . . . . . 49 ASP N . 16999 1 573 . 1 1 52 52 GLU H H 1 8.395 0.04 . 1 . . . . . 50 GLU H . 16999 1 574 . 1 1 52 52 GLU HA H 1 4.083 0.04 . 1 . . . . . 50 GLU HA . 16999 1 575 . 1 1 52 52 GLU HB2 H 1 2.177 0.04 . 2 . . . . . 50 GLU HB2 . 16999 1 576 . 1 1 52 52 GLU HB3 H 1 2.029 0.04 . 2 . . . . . 50 GLU HB3 . 16999 1 577 . 1 1 52 52 GLU HG2 H 1 2.345 0.04 . 2 . . . . . 50 GLU HG2 . 16999 1 578 . 1 1 52 52 GLU HG3 H 1 2.289 0.04 . 2 . . . . . 50 GLU HG3 . 16999 1 579 . 1 1 52 52 GLU C C 13 178.776 0.4 . 1 . . . . . 50 GLU C . 16999 1 580 . 1 1 52 52 GLU CA C 13 59.615 0.40 . 1 . . . . . 50 GLU CA . 16999 1 581 . 1 1 52 52 GLU CB C 13 29.373 0.40 . 1 . . . . . 50 GLU CB . 16999 1 582 . 1 1 52 52 GLU CG C 13 36.216 0.40 . 1 . . . . . 50 GLU CG . 16999 1 583 . 1 1 52 52 GLU N N 15 121.800 0.40 . 1 . . . . . 50 GLU N . 16999 1 584 . 1 1 53 53 ARG H H 1 8.112 0.04 . 1 . . . . . 51 ARG H . 16999 1 585 . 1 1 53 53 ARG HA H 1 4.090 0.04 . 1 . . . . . 51 ARG HA . 16999 1 586 . 1 1 53 53 ARG HB2 H 1 1.820 0.04 . 2 . . . . . 51 ARG HB2 . 16999 1 587 . 1 1 53 53 ARG HB3 H 1 1.900 0.04 . 2 . . . . . 51 ARG HB3 . 16999 1 588 . 1 1 53 53 ARG HD2 H 1 2.882 0.04 . 2 . . . . . 51 ARG HD2 . 16999 1 589 . 1 1 53 53 ARG HD3 H 1 2.312 0.04 . 2 . . . . . 51 ARG HD3 . 16999 1 590 . 1 1 53 53 ARG HG2 H 1 1.455 0.04 . 2 . . . . . 51 ARG HG2 . 16999 1 591 . 1 1 53 53 ARG HG3 H 1 1.455 0.04 . 2 . . . . . 51 ARG HG3 . 16999 1 592 . 1 1 53 53 ARG CA C 13 59.700 0.40 . 1 . . . . . 51 ARG CA . 16999 1 593 . 1 1 53 53 ARG CB C 13 30.340 0.40 . 1 . . . . . 51 ARG CB . 16999 1 594 . 1 1 53 53 ARG CD C 13 43.462 0.40 . 1 . . . . . 51 ARG CD . 16999 1 595 . 1 1 53 53 ARG CG C 13 29.000 0.40 . 1 . . . . . 51 ARG CG . 16999 1 596 . 1 1 53 53 ARG N N 15 120.135 0.40 . 1 . . . . . 51 ARG N . 16999 1 597 . 1 1 54 54 LEU H H 1 8.355 0.04 . 1 . . . . . 52 LEU H . 16999 1 598 . 1 1 54 54 LEU HA H 1 3.831 0.04 . 1 . . . . . 52 LEU HA . 16999 1 599 . 1 1 54 54 LEU HB2 H 1 2.002 0.04 . 2 . . . . . 52 LEU HB2 . 16999 1 600 . 1 1 54 54 LEU HB3 H 1 1.524 0.04 . 2 . . . . . 52 LEU HB3 . 16999 1 601 . 1 1 54 54 LEU HD11 H 1 0.848 0.04 . 1 . . . . . 52 LEU HD1 . 16999 1 602 . 1 1 54 54 LEU HD12 H 1 0.848 0.04 . 1 . . . . . 52 LEU HD1 . 16999 1 603 . 1 1 54 54 LEU HD13 H 1 0.848 0.04 . 1 . . . . . 52 LEU HD1 . 16999 1 604 . 1 1 54 54 LEU HD21 H 1 0.823 0.04 . 1 . . . . . 52 LEU HD2 . 16999 1 605 . 1 1 54 54 LEU HD22 H 1 0.823 0.04 . 1 . . . . . 52 LEU HD2 . 16999 1 606 . 1 1 54 54 LEU HD23 H 1 0.823 0.04 . 1 . . . . . 52 LEU HD2 . 16999 1 607 . 1 1 54 54 LEU HG H 1 1.640 0.04 . 1 . . . . . 52 LEU HG . 16999 1 608 . 1 1 54 54 LEU C C 13 178.578 0.4 . 1 . . . . . 52 LEU C . 16999 1 609 . 1 1 54 54 LEU CA C 13 58.087 0.40 . 1 . . . . . 52 LEU CA . 16999 1 610 . 1 1 54 54 LEU CB C 13 42.144 0.40 . 1 . . . . . 52 LEU CB . 16999 1 611 . 1 1 54 54 LEU CD1 C 13 25.824 0.40 . 1 . . . . . 52 LEU CD1 . 16999 1 612 . 1 1 54 54 LEU CD2 C 13 23.999 0.40 . 1 . . . . . 52 LEU CD2 . 16999 1 613 . 1 1 54 54 LEU CG C 13 27.159 0.40 . 1 . . . . . 52 LEU CG . 16999 1 614 . 1 1 54 54 LEU N N 15 121.800 0.40 . 1 . . . . . 52 LEU N . 16999 1 615 . 1 1 55 55 ARG H H 1 8.380 0.04 . 1 . . . . . 53 ARG H . 16999 1 616 . 1 1 55 55 ARG HA H 1 4.126 0.04 . 1 . . . . . 53 ARG HA . 16999 1 617 . 1 1 55 55 ARG HB2 H 1 1.961 0.04 . 2 . . . . . 53 ARG HB2 . 16999 1 618 . 1 1 55 55 ARG HB3 H 1 1.961 0.04 . 2 . . . . . 53 ARG HB3 . 16999 1 619 . 1 1 55 55 ARG HD2 H 1 3.253 0.04 . 2 . . . . . 53 ARG HD2 . 16999 1 620 . 1 1 55 55 ARG HD3 H 1 3.212 0.04 . 2 . . . . . 53 ARG HD3 . 16999 1 621 . 1 1 55 55 ARG HG2 H 1 1.739 0.04 . 2 . . . . . 53 ARG HG2 . 16999 1 622 . 1 1 55 55 ARG HG3 H 1 1.739 0.04 . 2 . . . . . 53 ARG HG3 . 16999 1 623 . 1 1 55 55 ARG C C 13 179.902 0.4 . 1 . . . . . 53 ARG C . 16999 1 624 . 1 1 55 55 ARG CA C 13 58.851 0.40 . 1 . . . . . 53 ARG CA . 16999 1 625 . 1 1 55 55 ARG CB C 13 30.220 0.40 . 1 . . . . . 53 ARG CB . 16999 1 626 . 1 1 55 55 ARG CD C 13 43.462 0.40 . 1 . . . . . 53 ARG CD . 16999 1 627 . 1 1 55 55 ARG CG C 13 27.214 0.40 . 1 . . . . . 53 ARG CG . 16999 1 628 . 1 1 55 55 ARG N N 15 120.408 0.40 . 1 . . . . . 53 ARG N . 16999 1 629 . 1 1 56 56 ALA H H 1 7.957 0.04 . 1 . . . . . 54 ALA H . 16999 1 630 . 1 1 56 56 ALA HA H 1 4.271 0.04 . 1 . . . . . 54 ALA HA . 16999 1 631 . 1 1 56 56 ALA HB1 H 1 1.572 0.04 . 1 . . . . . 54 ALA HB . 16999 1 632 . 1 1 56 56 ALA HB2 H 1 1.572 0.04 . 1 . . . . . 54 ALA HB . 16999 1 633 . 1 1 56 56 ALA HB3 H 1 1.572 0.04 . 1 . . . . . 54 ALA HB . 16999 1 634 . 1 1 56 56 ALA C C 13 177.882 0.4 . 1 . . . . . 54 ALA C . 16999 1 635 . 1 1 56 56 ALA CA C 13 53.993 0.40 . 1 . . . . . 54 ALA CA . 16999 1 636 . 1 1 56 56 ALA CB C 13 18.729 0.40 . 1 . . . . . 54 ALA CB . 16999 1 637 . 1 1 56 56 ALA N N 15 118.599 0.40 . 1 . . . . . 54 ALA N . 16999 1 638 . 1 1 57 57 CYS H H 1 7.819 0.04 . 1 . . . . . 55 CYS H . 16999 1 639 . 1 1 57 57 CYS HA H 1 5.060 0.04 . 1 . . . . . 55 CYS HA . 16999 1 640 . 1 1 57 57 CYS HB2 H 1 2.853 0.04 . 2 . . . . . 55 CYS HB2 . 16999 1 641 . 1 1 57 57 CYS HB3 H 1 2.308 0.04 . 2 . . . . . 55 CYS HB3 . 16999 1 642 . 1 1 57 57 CYS C C 13 174.866 0.4 . 1 . . . . . 55 CYS C . 16999 1 643 . 1 1 57 57 CYS CA C 13 55.767 0.40 . 1 . . . . . 55 CYS CA . 16999 1 644 . 1 1 57 57 CYS CB C 13 29.765 0.40 . 1 . . . . . 55 CYS CB . 16999 1 645 . 1 1 57 57 CYS N N 15 107.648 0.40 . 1 . . . . . 55 CYS N . 16999 1 646 . 1 1 58 58 ASP H H 1 7.895 0.04 . 1 . . . . . 56 ASP H . 16999 1 647 . 1 1 58 58 ASP HA H 1 4.183 0.04 . 1 . . . . . 56 ASP HA . 16999 1 648 . 1 1 58 58 ASP HB2 H 1 2.816 0.04 . 2 . . . . . 56 ASP HB2 . 16999 1 649 . 1 1 58 58 ASP HB3 H 1 2.614 0.04 . 2 . . . . . 56 ASP HB3 . 16999 1 650 . 1 1 58 58 ASP C C 13 178.500 0.4 . 1 . . . . . 56 ASP C . 16999 1 651 . 1 1 58 58 ASP CA C 13 58.049 0.40 . 1 . . . . . 56 ASP CA . 16999 1 652 . 1 1 58 58 ASP CB C 13 39.662 0.40 . 1 . . . . . 56 ASP CB . 16999 1 653 . 1 1 58 58 ASP N N 15 129.218 0.40 . 1 . . . . . 56 ASP N . 16999 1 654 . 1 1 59 59 TRP H H 1 8.173 0.04 . 1 . . . . . 57 TRP H . 16999 1 655 . 1 1 59 59 TRP HA H 1 4.242 0.04 . 1 . . . . . 57 TRP HA . 16999 1 656 . 1 1 59 59 TRP HB2 H 1 3.416 0.04 . 2 . . . . . 57 TRP HB2 . 16999 1 657 . 1 1 59 59 TRP HB3 H 1 3.022 0.04 . 2 . . . . . 57 TRP HB3 . 16999 1 658 . 1 1 59 59 TRP HD1 H 1 7.549 0.04 . 1 . . . . . 57 TRP HD1 . 16999 1 659 . 1 1 59 59 TRP HE1 H 1 10.113 0.04 . 1 . . . . . 57 TRP HE1 . 16999 1 660 . 1 1 59 59 TRP HH2 H 1 7.030 0.04 . 1 . . . . . 57 TRP HH2 . 16999 1 661 . 1 1 59 59 TRP HZ2 H 1 7.111 0.04 . 1 . . . . . 57 TRP HZ2 . 16999 1 662 . 1 1 59 59 TRP HZ3 H 1 6.738 0.04 . 1 . . . . . 57 TRP HZ3 . 16999 1 663 . 1 1 59 59 TRP CA C 13 58.376 0.40 . 1 . . . . . 57 TRP CA . 16999 1 664 . 1 1 59 59 TRP CB C 13 27.404 0.40 . 1 . . . . . 57 TRP CB . 16999 1 665 . 1 1 59 59 TRP CD1 C 13 127.913 0.40 . 1 . . . . . 57 TRP CD1 . 16999 1 666 . 1 1 59 59 TRP CH2 C 13 124.617 0.40 . 1 . . . . . 57 TRP CH2 . 16999 1 667 . 1 1 59 59 TRP CZ2 C 13 115.001 0.40 . 1 . . . . . 57 TRP CZ2 . 16999 1 668 . 1 1 59 59 TRP CZ3 C 13 121.593 0.40 . 1 . . . . . 57 TRP CZ3 . 16999 1 669 . 1 1 59 59 TRP N N 15 120.408 0.40 . 1 . . . . . 57 TRP N . 16999 1 670 . 1 1 59 59 TRP NE1 N 15 129.551 0.04 . 1 . . . . . 57 TRP NE1 . 16999 1 671 . 1 1 60 60 THR H H 1 6.142 0.04 . 1 . . . . . 58 THR H . 16999 1 672 . 1 1 60 60 THR HA H 1 3.063 0.04 . 1 . . . . . 58 THR HA . 16999 1 673 . 1 1 60 60 THR HB H 1 3.166 0.04 . 1 . . . . . 58 THR HB . 16999 1 674 . 1 1 60 60 THR HG21 H 1 1.134 0.04 . 1 . . . . . 58 THR HG2 . 16999 1 675 . 1 1 60 60 THR HG22 H 1 1.134 0.04 . 1 . . . . . 58 THR HG2 . 16999 1 676 . 1 1 60 60 THR HG23 H 1 1.134 0.04 . 1 . . . . . 58 THR HG2 . 16999 1 677 . 1 1 60 60 THR C C 13 174.034 0.4 . 1 . . . . . 58 THR C . 16999 1 678 . 1 1 60 60 THR CA C 13 63.382 0.40 . 1 . . . . . 58 THR CA . 16999 1 679 . 1 1 60 60 THR CB C 13 70.451 0.40 . 1 . . . . . 58 THR CB . 16999 1 680 . 1 1 60 60 THR CG2 C 13 21.793 0.40 . 1 . . . . . 58 THR CG2 . 16999 1 681 . 1 1 60 60 THR N N 15 109.900 0.40 . 1 . . . . . 58 THR N . 16999 1 682 . 1 1 61 61 GLN H H 1 7.351 0.04 . 1 . . . . . 59 GLN H . 16999 1 683 . 1 1 61 61 GLN HA H 1 4.173 0.04 . 1 . . . . . 59 GLN HA . 16999 1 684 . 1 1 61 61 GLN HB2 H 1 2.330 0.04 . 2 . . . . . 59 GLN HB2 . 16999 1 685 . 1 1 61 61 GLN HB3 H 1 1.800 0.04 . 2 . . . . . 59 GLN HB3 . 16999 1 686 . 1 1 61 61 GLN HE21 H 1 7.005 0.04 . 1 . . . . . 59 GLN HE21 . 16999 1 687 . 1 1 61 61 GLN HE22 H 1 7.318 0.04 . 2 . . . . . 59 GLN HE22 . 16999 1 688 . 1 1 61 61 GLN HG2 H 1 2.169 0.04 . 2 . . . . . 59 GLN HG2 . 16999 1 689 . 1 1 61 61 GLN HG3 H 1 1.963 0.04 . 2 . . . . . 59 GLN HG3 . 16999 1 690 . 1 1 61 61 GLN C C 13 176.108 0.4 . 1 . . . . . 59 GLN C . 16999 1 691 . 1 1 61 61 GLN CA C 13 53.556 0.40 . 1 . . . . . 59 GLN CA . 16999 1 692 . 1 1 61 61 GLN CB C 13 29.642 0.40 . 1 . . . . . 59 GLN CB . 16999 1 693 . 1 1 61 61 GLN CG C 13 33.533 0.40 . 1 . . . . . 59 GLN CG . 16999 1 694 . 1 1 61 61 GLN N N 15 115.350 0.40 . 1 . . . . . 59 GLN N . 16999 1 695 . 1 1 61 61 GLN NE2 N 15 114.190 0.04 . 1 . . . . . 59 GLN NE2 . 16999 1 696 . 1 1 62 62 VAL H H 1 6.800 0.04 . 1 . . . . . 60 VAL H . 16999 1 697 . 1 1 62 62 VAL HA H 1 4.008 0.04 . 1 . . . . . 60 VAL HA . 16999 1 698 . 1 1 62 62 VAL HB H 1 2.126 0.04 . 1 . . . . . 60 VAL HB . 16999 1 699 . 1 1 62 62 VAL HG11 H 1 1.011 0.04 . 1 . . . . . 60 VAL HG1 . 16999 1 700 . 1 1 62 62 VAL HG12 H 1 1.011 0.04 . 1 . . . . . 60 VAL HG1 . 16999 1 701 . 1 1 62 62 VAL HG13 H 1 1.011 0.04 . 1 . . . . . 60 VAL HG1 . 16999 1 702 . 1 1 62 62 VAL C C 13 177.132 0.4 . 1 . . . . . 60 VAL C . 16999 1 703 . 1 1 62 62 VAL CA C 13 62.235 0.40 . 1 . . . . . 60 VAL CA . 16999 1 704 . 1 1 62 62 VAL CB C 13 32.539 0.40 . 1 . . . . . 60 VAL CB . 16999 1 705 . 1 1 62 62 VAL CG1 C 13 21.575 0.40 . 1 . . . . . 60 VAL CG1 . 16999 1 706 . 1 1 62 62 VAL N N 15 118.019 0.40 . 1 . . . . . 60 VAL N . 16999 1 707 . 1 1 63 63 GLN H H 1 8.545 0.04 . 1 . . . . . 61 GLN H . 16999 1 708 . 1 1 63 63 GLN HA H 1 3.991 0.04 . 1 . . . . . 61 GLN HA . 16999 1 709 . 1 1 63 63 GLN HB2 H 1 2.047 0.04 . 2 . . . . . 61 GLN HB2 . 16999 1 710 . 1 1 63 63 GLN HB3 H 1 2.047 0.04 . 2 . . . . . 61 GLN HB3 . 16999 1 711 . 1 1 63 63 GLN HE21 H 1 6.853 0.04 . 1 . . . . . 61 GLN HE21 . 16999 1 712 . 1 1 63 63 GLN HE22 H 1 7.751 0.04 . 2 . . . . . 61 GLN HE22 . 16999 1 713 . 1 1 63 63 GLN HG2 H 1 2.356 0.04 . 2 . . . . . 61 GLN HG2 . 16999 1 714 . 1 1 63 63 GLN HG3 H 1 2.356 0.04 . 2 . . . . . 61 GLN HG3 . 16999 1 715 . 1 1 63 63 GLN CA C 13 58.305 0.40 . 1 . . . . . 61 GLN CA . 16999 1 716 . 1 1 63 63 GLN CB C 13 28.773 0.40 . 1 . . . . . 61 GLN CB . 16999 1 717 . 1 1 63 63 GLN CG C 13 33.642 0.40 . 1 . . . . . 61 GLN CG . 16999 1 718 . 1 1 63 63 GLN N N 15 123.922 0.40 . 1 . . . . . 61 GLN N . 16999 1 719 . 1 1 63 63 GLN NE2 N 15 115.320 0.04 . 1 . . . . . 61 GLN NE2 . 16999 1 720 . 1 1 64 64 ASP H H 1 8.261 0.04 . 1 . . . . . 62 ASP H . 16999 1 721 . 1 1 64 64 ASP HA H 1 4.514 0.04 . 1 . . . . . 62 ASP HA . 16999 1 722 . 1 1 64 64 ASP HB2 H 1 2.783 0.04 . 2 . . . . . 62 ASP HB2 . 16999 1 723 . 1 1 64 64 ASP HB3 H 1 2.662 0.04 . 2 . . . . . 62 ASP HB3 . 16999 1 724 . 1 1 64 64 ASP C C 13 175.767 0.4 . 1 . . . . . 62 ASP C . 16999 1 725 . 1 1 64 64 ASP CA C 13 54.265 0.40 . 1 . . . . . 62 ASP CA . 16999 1 726 . 1 1 64 64 ASP CB C 13 39.663 0.40 . 1 . . . . . 62 ASP CB . 16999 1 727 . 1 1 64 64 ASP N N 15 116.894 0.40 . 1 . . . . . 62 ASP N . 16999 1 728 . 1 1 65 65 VAL H H 1 7.303 0.04 . 1 . . . . . 63 VAL H . 16999 1 729 . 1 1 65 65 VAL HA H 1 4.094 0.04 . 1 . . . . . 63 VAL HA . 16999 1 730 . 1 1 65 65 VAL HB H 1 2.163 0.04 . 1 . . . . . 63 VAL HB . 16999 1 731 . 1 1 65 65 VAL HG11 H 1 1.134 0.04 . 1 . . . . . 63 VAL HG1 . 16999 1 732 . 1 1 65 65 VAL HG12 H 1 1.134 0.04 . 1 . . . . . 63 VAL HG1 . 16999 1 733 . 1 1 65 65 VAL HG13 H 1 1.134 0.04 . 1 . . . . . 63 VAL HG1 . 16999 1 734 . 1 1 65 65 VAL HG21 H 1 0.882 0.04 . 1 . . . . . 63 VAL HG2 . 16999 1 735 . 1 1 65 65 VAL HG22 H 1 0.882 0.04 . 1 . . . . . 63 VAL HG2 . 16999 1 736 . 1 1 65 65 VAL HG23 H 1 0.882 0.04 . 1 . . . . . 63 VAL HG2 . 16999 1 737 . 1 1 65 65 VAL C C 13 174.825 0.4 . 1 . . . . . 63 VAL C . 16999 1 738 . 1 1 65 65 VAL CA C 13 62.071 0.40 . 1 . . . . . 63 VAL CA . 16999 1 739 . 1 1 65 65 VAL CB C 13 32.376 0.40 . 1 . . . . . 63 VAL CB . 16999 1 740 . 1 1 65 65 VAL CG1 C 13 21.793 0.40 . 1 . . . . . 63 VAL CG1 . 16999 1 741 . 1 1 65 65 VAL CG2 C 13 20.349 0.40 . 1 . . . . . 63 VAL CG2 . 16999 1 742 . 1 1 65 65 VAL N N 15 120.075 0.40 . 1 . . . . . 63 VAL N . 16999 1 743 . 1 1 66 66 VAL H H 1 8.407 0.04 . 1 . . . . . 64 VAL H . 16999 1 744 . 1 1 66 66 VAL HA H 1 4.097 0.04 . 1 . . . . . 64 VAL HA . 16999 1 745 . 1 1 66 66 VAL HB H 1 2.105 0.04 . 1 . . . . . 64 VAL HB . 16999 1 746 . 1 1 66 66 VAL HG11 H 1 0.900 0.04 . 1 . . . . . 64 VAL HG1 . 16999 1 747 . 1 1 66 66 VAL HG12 H 1 0.900 0.04 . 1 . . . . . 64 VAL HG1 . 16999 1 748 . 1 1 66 66 VAL HG13 H 1 0.900 0.04 . 1 . . . . . 64 VAL HG1 . 16999 1 749 . 1 1 66 66 VAL HG21 H 1 0.940 0.04 . 1 . . . . . 64 VAL HG2 . 16999 1 750 . 1 1 66 66 VAL HG22 H 1 0.940 0.04 . 1 . . . . . 64 VAL HG2 . 16999 1 751 . 1 1 66 66 VAL HG23 H 1 0.940 0.04 . 1 . . . . . 64 VAL HG2 . 16999 1 752 . 1 1 66 66 VAL C C 13 175.085 0.4 . 1 . . . . . 64 VAL C . 16999 1 753 . 1 1 66 66 VAL CA C 13 62.562 0.40 . 1 . . . . . 64 VAL CA . 16999 1 754 . 1 1 66 66 VAL CB C 13 30.465 0.40 . 1 . . . . . 64 VAL CB . 16999 1 755 . 1 1 66 66 VAL CG1 C 13 21.357 0.40 . 1 . . . . . 64 VAL CG1 . 16999 1 756 . 1 1 66 66 VAL CG2 C 13 20.540 0.40 . 1 . . . . . 64 VAL CG2 . 16999 1 757 . 1 1 66 66 VAL N N 15 127.666 0.40 . 1 . . . . . 64 VAL N . 16999 1 758 . 1 1 67 67 LEU H H 1 7.549 0.04 . 1 . . . . . 65 LEU H . 16999 1 759 . 1 1 67 67 LEU HA H 1 4.839 0.04 . 1 . . . . . 65 LEU HA . 16999 1 760 . 1 1 67 67 LEU HB2 H 1 1.601 0.04 . 2 . . . . . 65 LEU HB2 . 16999 1 761 . 1 1 67 67 LEU HB3 H 1 1.485 0.04 . 2 . . . . . 65 LEU HB3 . 16999 1 762 . 1 1 67 67 LEU HD11 H 1 0.640 0.04 . 1 . . . . . 65 LEU HD1 . 16999 1 763 . 1 1 67 67 LEU HD12 H 1 0.640 0.04 . 1 . . . . . 65 LEU HD1 . 16999 1 764 . 1 1 67 67 LEU HD13 H 1 0.640 0.04 . 1 . . . . . 65 LEU HD1 . 16999 1 765 . 1 1 67 67 LEU HD21 H 1 1.096 0.04 . 1 . . . . . 65 LEU HD2 . 16999 1 766 . 1 1 67 67 LEU HD22 H 1 1.096 0.04 . 1 . . . . . 65 LEU HD2 . 16999 1 767 . 1 1 67 67 LEU HD23 H 1 1.096 0.04 . 1 . . . . . 65 LEU HD2 . 16999 1 768 . 1 1 67 67 LEU HG H 1 1.682 0.04 . 1 . . . . . 65 LEU HG . 16999 1 769 . 1 1 67 67 LEU C C 13 177.179 0.4 . 1 . . . . . 65 LEU C . 16999 1 770 . 1 1 67 67 LEU CA C 13 53.583 0.40 . 1 . . . . . 65 LEU CA . 16999 1 771 . 1 1 67 67 LEU CB C 13 47.251 0.40 . 1 . . . . . 65 LEU CB . 16999 1 772 . 1 1 67 67 LEU CD1 C 13 26.778 0.40 . 1 . . . . . 65 LEU CD1 . 16999 1 773 . 1 1 67 67 LEU CD2 C 13 23.400 0.40 . 1 . . . . . 65 LEU CD2 . 16999 1 774 . 1 1 67 67 LEU CG C 13 27.404 0.40 . 1 . . . . . 65 LEU CG . 16999 1 775 . 1 1 67 67 LEU N N 15 125.875 0.40 . 1 . . . . . 65 LEU N . 16999 1 776 . 1 1 68 68 THR H H 1 9.008 0.04 . 1 . . . . . 66 THR H . 16999 1 777 . 1 1 68 68 THR HA H 1 4.414 0.04 . 1 . . . . . 66 THR HA . 16999 1 778 . 1 1 68 68 THR HB H 1 4.769 0.04 . 1 . . . . . 66 THR HB . 16999 1 779 . 1 1 68 68 THR HG21 H 1 1.333 0.04 . 1 . . . . . 66 THR HG2 . 16999 1 780 . 1 1 68 68 THR HG22 H 1 1.333 0.04 . 1 . . . . . 66 THR HG2 . 16999 1 781 . 1 1 68 68 THR HG23 H 1 1.333 0.04 . 1 . . . . . 66 THR HG2 . 16999 1 782 . 1 1 68 68 THR C C 13 175.276 0.4 . 1 . . . . . 66 THR C . 16999 1 783 . 1 1 68 68 THR CA C 13 61.034 0.40 . 1 . . . . . 66 THR CA . 16999 1 784 . 1 1 68 68 THR CB C 13 70.969 0.40 . 1 . . . . . 66 THR CB . 16999 1 785 . 1 1 68 68 THR CG2 C 13 21.684 0.40 . 1 . . . . . 66 THR CG2 . 16999 1 786 . 1 1 68 68 THR N N 15 112.834 0.40 . 1 . . . . . 66 THR N . 16999 1 787 . 1 1 69 69 ALA H H 1 9.054 0.04 . 1 . . . . . 67 ALA H . 16999 1 788 . 1 1 69 69 ALA HA H 1 4.036 0.04 . 1 . . . . . 67 ALA HA . 16999 1 789 . 1 1 69 69 ALA HB1 H 1 1.494 0.04 . 1 . . . . . 67 ALA HB . 16999 1 790 . 1 1 69 69 ALA HB2 H 1 1.494 0.04 . 1 . . . . . 67 ALA HB . 16999 1 791 . 1 1 69 69 ALA HB3 H 1 1.494 0.04 . 1 . . . . . 67 ALA HB . 16999 1 792 . 1 1 69 69 ALA C C 13 181.062 0.4 . 1 . . . . . 67 ALA C . 16999 1 793 . 1 1 69 69 ALA CA C 13 56.012 0.40 . 1 . . . . . 67 ALA CA . 16999 1 794 . 1 1 69 69 ALA CB C 13 17.965 0.40 . 1 . . . . . 67 ALA CB . 16999 1 795 . 1 1 69 69 ALA N N 15 123.777 0.40 . 1 . . . . . 67 ALA N . 16999 1 796 . 1 1 70 70 ASP H H 1 8.489 0.04 . 1 . . . . . 68 ASP H . 16999 1 797 . 1 1 70 70 ASP HA H 1 4.451 0.04 . 1 . . . . . 68 ASP HA . 16999 1 798 . 1 1 70 70 ASP HB2 H 1 2.610 0.04 . 2 . . . . . 68 ASP HB2 . 16999 1 799 . 1 1 70 70 ASP HB3 H 1 2.552 0.04 . 2 . . . . . 68 ASP HB3 . 16999 1 800 . 1 1 70 70 ASP C C 13 179.069 0.4 . 1 . . . . . 68 ASP C . 16999 1 801 . 1 1 70 70 ASP CA C 13 57.131 0.40 . 1 . . . . . 68 ASP CA . 16999 1 802 . 1 1 70 70 ASP CB C 13 40.673 0.40 . 1 . . . . . 68 ASP CB . 16999 1 803 . 1 1 70 70 ASP N N 15 117.525 0.40 . 1 . . . . . 68 ASP N . 16999 1 804 . 1 1 71 71 GLN H H 1 7.850 0.04 . 1 . . . . . 69 GLN H . 16999 1 805 . 1 1 71 71 GLN HA H 1 4.128 0.04 . 1 . . . . . 69 GLN HA . 16999 1 806 . 1 1 71 71 GLN HB2 H 1 2.065 0.04 . 2 . . . . . 69 GLN HB2 . 16999 1 807 . 1 1 71 71 GLN HB3 H 1 2.542 0.04 . 2 . . . . . 69 GLN HB3 . 16999 1 808 . 1 1 71 71 GLN HE21 H 1 6.867 0.04 . 1 . . . . . 69 GLN HE21 . 16999 1 809 . 1 1 71 71 GLN HE22 H 1 7.734 0.04 . 2 . . . . . 69 GLN HE22 . 16999 1 810 . 1 1 71 71 GLN HG2 H 1 2.541 0.04 . 2 . . . . . 69 GLN HG2 . 16999 1 811 . 1 1 71 71 GLN HG3 H 1 2.541 0.04 . 2 . . . . . 69 GLN HG3 . 16999 1 812 . 1 1 71 71 GLN C C 13 179.288 0.4 . 1 . . . . . 69 GLN C . 16999 1 813 . 1 1 71 71 GLN CA C 13 58.905 0.40 . 1 . . . . . 69 GLN CA . 16999 1 814 . 1 1 71 71 GLN CB C 13 30.015 0.40 . 1 . . . . . 69 GLN CB . 16999 1 815 . 1 1 71 71 GLN CG C 13 34.814 0.40 . 1 . . . . . 69 GLN CG . 16999 1 816 . 1 1 71 71 GLN N N 15 120.877 0.40 . 1 . . . . . 69 GLN N . 16999 1 817 . 1 1 71 71 GLN NE2 N 15 111.844 0.04 . 1 . . . . . 69 GLN NE2 . 16999 1 818 . 1 1 72 72 LYS H H 1 8.935 0.04 . 1 . . . . . 70 LYS H . 16999 1 819 . 1 1 72 72 LYS HA H 1 3.910 0.04 . 1 . . . . . 70 LYS HA . 16999 1 820 . 1 1 72 72 LYS HB2 H 1 1.903 0.04 . 2 . . . . . 70 LYS HB2 . 16999 1 821 . 1 1 72 72 LYS HB3 H 1 1.903 0.04 . 2 . . . . . 70 LYS HB3 . 16999 1 822 . 1 1 72 72 LYS HD2 H 1 1.629 0.04 . 2 . . . . . 70 LYS HD2 . 16999 1 823 . 1 1 72 72 LYS HD3 H 1 1.584 0.04 . 2 . . . . . 70 LYS HD3 . 16999 1 824 . 1 1 72 72 LYS HE2 H 1 2.908 0.04 . 2 . . . . . 70 LYS HE2 . 16999 1 825 . 1 1 72 72 LYS HE3 H 1 2.868 0.04 . 2 . . . . . 70 LYS HE3 . 16999 1 826 . 1 1 72 72 LYS HG2 H 1 1.400 0.04 . 2 . . . . . 70 LYS HG2 . 16999 1 827 . 1 1 72 72 LYS HG3 H 1 1.617 0.04 . 2 . . . . . 70 LYS HG3 . 16999 1 828 . 1 1 72 72 LYS C C 13 174.307 0.4 . 1 . . . . . 70 LYS C . 16999 1 829 . 1 1 72 72 LYS CA C 13 61.061 0.40 . 1 . . . . . 70 LYS CA . 16999 1 830 . 1 1 72 72 LYS CB C 13 32.594 0.40 . 1 . . . . . 70 LYS CB . 16999 1 831 . 1 1 72 72 LYS CD C 13 30.060 0.40 . 1 . . . . . 70 LYS CD . 16999 1 832 . 1 1 72 72 LYS CE C 13 42.059 0.40 . 1 . . . . . 70 LYS CE . 16999 1 833 . 1 1 72 72 LYS CG C 13 26.627 0.40 . 1 . . . . . 70 LYS CG . 16999 1 834 . 1 1 72 72 LYS N N 15 120.143 0.40 . 1 . . . . . 70 LYS N . 16999 1 835 . 1 1 73 73 ALA H H 1 7.979 0.04 . 1 . . . . . 71 ALA H . 16999 1 836 . 1 1 73 73 ALA HA H 1 4.274 0.04 . 1 . . . . . 71 ALA HA . 16999 1 837 . 1 1 73 73 ALA HB1 H 1 1.559 0.04 . 1 . . . . . 71 ALA HB . 16999 1 838 . 1 1 73 73 ALA HB2 H 1 1.559 0.04 . 1 . . . . . 71 ALA HB . 16999 1 839 . 1 1 73 73 ALA HB3 H 1 1.559 0.04 . 1 . . . . . 71 ALA HB . 16999 1 840 . 1 1 73 73 ALA C C 13 180.612 0.4 . 1 . . . . . 71 ALA C . 16999 1 841 . 1 1 73 73 ALA CA C 13 55.166 0.40 . 1 . . . . . 71 ALA CA . 16999 1 842 . 1 1 73 73 ALA CB C 13 18.019 0.40 . 1 . . . . . 71 ALA CB . 16999 1 843 . 1 1 73 73 ALA N N 15 122.054 0.40 . 1 . . . . . 71 ALA N . 16999 1 844 . 1 1 74 74 THR H H 1 8.185 0.04 . 1 . . . . . 72 THR H . 16999 1 845 . 1 1 74 74 THR HA H 1 3.878 0.04 . 1 . . . . . 72 THR HA . 16999 1 846 . 1 1 74 74 THR HB H 1 4.141 0.04 . 1 . . . . . 72 THR HB . 16999 1 847 . 1 1 74 74 THR HG21 H 1 0.979 0.04 . 1 . . . . . 72 THR HG2 . 16999 1 848 . 1 1 74 74 THR HG22 H 1 0.979 0.04 . 1 . . . . . 72 THR HG2 . 16999 1 849 . 1 1 74 74 THR HG23 H 1 0.979 0.04 . 1 . . . . . 72 THR HG2 . 16999 1 850 . 1 1 74 74 THR C C 13 178.019 0.4 . 1 . . . . . 72 THR C . 16999 1 851 . 1 1 74 74 THR CA C 13 66.848 0.40 . 1 . . . . . 72 THR CA . 16999 1 852 . 1 1 74 74 THR CB C 13 68.240 0.40 . 1 . . . . . 72 THR CB . 16999 1 853 . 1 1 74 74 THR CG2 C 13 21.956 0.40 . 1 . . . . . 72 THR CG2 . 16999 1 854 . 1 1 74 74 THR N N 15 117.508 0.40 . 1 . . . . . 72 THR N . 16999 1 855 . 1 1 75 75 TRP H H 1 8.394 0.04 . 1 . . . . . 73 TRP H . 16999 1 856 . 1 1 75 75 TRP HA H 1 4.462 0.04 . 1 . . . . . 73 TRP HA . 16999 1 857 . 1 1 75 75 TRP HB2 H 1 3.070 0.04 . 2 . . . . . 73 TRP HB2 . 16999 1 858 . 1 1 75 75 TRP HB3 H 1 3.022 0.04 . 2 . . . . . 73 TRP HB3 . 16999 1 859 . 1 1 75 75 TRP HD1 H 1 6.986 0.04 . 1 . . . . . 73 TRP HD1 . 16999 1 860 . 1 1 75 75 TRP HE1 H 1 10.463 0.04 . 1 . . . . . 73 TRP HE1 . 16999 1 861 . 1 1 75 75 TRP HH2 H 1 7.117 0.04 . 1 . . . . . 73 TRP HH2 . 16999 1 862 . 1 1 75 75 TRP HZ2 H 1 7.521 0.04 . 1 . . . . . 73 TRP HZ2 . 16999 1 863 . 1 1 75 75 TRP HZ3 H 1 6.799 0.04 . 1 . . . . . 73 TRP HZ3 . 16999 1 864 . 1 1 75 75 TRP C C 13 176.176 0.4 . 1 . . . . . 73 TRP C . 16999 1 865 . 1 1 75 75 TRP CA C 13 61.307 0.40 . 1 . . . . . 73 TRP CA . 16999 1 866 . 1 1 75 75 TRP CB C 13 29.101 0.40 . 1 . . . . . 73 TRP CB . 16999 1 867 . 1 1 75 75 TRP CD1 C 13 126.932 0.40 . 1 . . . . . 73 TRP CD1 . 16999 1 868 . 1 1 75 75 TRP CH2 C 13 124.508 0.40 . 1 . . . . . 73 TRP CH2 . 16999 1 869 . 1 1 75 75 TRP CZ2 C 13 115.355 0.40 . 1 . . . . . 73 TRP CZ2 . 16999 1 870 . 1 1 75 75 TRP CZ3 C 13 122.737 0.40 . 1 . . . . . 73 TRP CZ3 . 16999 1 871 . 1 1 75 75 TRP N N 15 123.546 0.40 . 1 . . . . . 73 TRP N . 16999 1 872 . 1 1 75 75 TRP NE1 N 15 128.306 0.04 . 1 . . . . . 73 TRP NE1 . 16999 1 873 . 1 1 76 76 ALA H H 1 8.406 0.04 . 1 . . . . . 74 ALA H . 16999 1 874 . 1 1 76 76 ALA HA H 1 4.155 0.04 . 1 . . . . . 74 ALA HA . 16999 1 875 . 1 1 76 76 ALA HB1 H 1 1.586 0.04 . 1 . . . . . 74 ALA HB . 16999 1 876 . 1 1 76 76 ALA HB2 H 1 1.586 0.04 . 1 . . . . . 74 ALA HB . 16999 1 877 . 1 1 76 76 ALA HB3 H 1 1.586 0.04 . 1 . . . . . 74 ALA HB . 16999 1 878 . 1 1 76 76 ALA C C 13 175.781 0.4 . 1 . . . . . 74 ALA C . 16999 1 879 . 1 1 76 76 ALA CA C 13 55.489 0.40 . 1 . . . . . 74 ALA CA . 16999 1 880 . 1 1 76 76 ALA CB C 13 17.747 0.40 . 1 . . . . . 74 ALA CB . 16999 1 881 . 1 1 76 76 ALA N N 15 122.796 0.40 . 1 . . . . . 74 ALA N . 16999 1 882 . 1 1 77 77 LYS H H 1 8.036 0.04 . 1 . . . . . 75 LYS H . 16999 1 883 . 1 1 77 77 LYS HA H 1 4.056 0.04 . 1 . . . . . 75 LYS HA . 16999 1 884 . 1 1 77 77 LYS HB2 H 1 1.937 0.04 . 2 . . . . . 75 LYS HB2 . 16999 1 885 . 1 1 77 77 LYS HB3 H 1 1.937 0.04 . 2 . . . . . 75 LYS HB3 . 16999 1 886 . 1 1 77 77 LYS HD2 H 1 1.680 0.04 . 2 . . . . . 75 LYS HD2 . 16999 1 887 . 1 1 77 77 LYS HD3 H 1 1.680 0.04 . 2 . . . . . 75 LYS HD3 . 16999 1 888 . 1 1 77 77 LYS HE2 H 1 2.943 0.04 . 2 . . . . . 75 LYS HE2 . 16999 1 889 . 1 1 77 77 LYS HE3 H 1 2.943 0.04 . 2 . . . . . 75 LYS HE3 . 16999 1 890 . 1 1 77 77 LYS HG2 H 1 1.431 0.04 . 2 . . . . . 75 LYS HG2 . 16999 1 891 . 1 1 77 77 LYS HG3 H 1 1.591 0.04 . 2 . . . . . 75 LYS HG3 . 16999 1 892 . 1 1 77 77 LYS C C 13 178.906 0.4 . 1 . . . . . 75 LYS C . 16999 1 893 . 1 1 77 77 LYS CA C 13 59.560 0.40 . 1 . . . . . 75 LYS CA . 16999 1 894 . 1 1 77 77 LYS CB C 13 32.485 0.40 . 1 . . . . . 75 LYS CB . 16999 1 895 . 1 1 77 77 LYS CD C 13 29.393 0.40 . 1 . . . . . 75 LYS CD . 16999 1 896 . 1 1 77 77 LYS CE C 13 42.141 0.40 . 1 . . . . . 75 LYS CE . 16999 1 897 . 1 1 77 77 LYS CG C 13 25.239 0.40 . 1 . . . . . 75 LYS CG . 16999 1 898 . 1 1 77 77 LYS N N 15 120.442 0.40 . 1 . . . . . 75 LYS N . 16999 1 899 . 1 1 78 78 TYR H H 1 7.837 0.04 . 1 . . . . . 76 TYR H . 16999 1 900 . 1 1 78 78 TYR HA H 1 4.315 0.04 . 1 . . . . . 76 TYR HA . 16999 1 901 . 1 1 78 78 TYR HB2 H 1 3.171 0.04 . 2 . . . . . 76 TYR HB2 . 16999 1 902 . 1 1 78 78 TYR HB3 H 1 3.056 0.04 . 2 . . . . . 76 TYR HB3 . 16999 1 903 . 1 1 78 78 TYR HD1 H 1 7.176 0.04 . 3 . . . . . 76 TYR HD1 . 16999 1 904 . 1 1 78 78 TYR HD2 H 1 7.176 0.04 . 3 . . . . . 76 TYR HD2 . 16999 1 905 . 1 1 78 78 TYR HE1 H 1 6.829 0.04 . 3 . . . . . 76 TYR HE1 . 16999 1 906 . 1 1 78 78 TYR HE2 H 1 6.829 0.04 . 3 . . . . . 76 TYR HE2 . 16999 1 907 . 1 1 78 78 TYR C C 13 176.313 0.4 . 1 . . . . . 76 TYR C . 16999 1 908 . 1 1 78 78 TYR CA C 13 61.143 0.40 . 1 . . . . . 76 TYR CA . 16999 1 909 . 1 1 78 78 TYR CB C 13 38.776 0.40 . 1 . . . . . 76 TYR CB . 16999 1 910 . 1 1 78 78 TYR CD1 C 13 133.524 0.40 . 1 . . . . . 76 TYR CD1 . 16999 1 911 . 1 1 78 78 TYR CE1 C 13 118.624 0.40 . 1 . . . . . 76 TYR CE1 . 16999 1 912 . 1 1 78 78 TYR N N 15 122.804 0.40 . 1 . . . . . 76 TYR N . 16999 1 913 . 1 1 79 79 ARG H H 1 8.388 0.04 . 1 . . . . . 77 ARG H . 16999 1 914 . 1 1 79 79 ARG HA H 1 3.578 0.04 . 1 . . . . . 77 ARG HA . 16999 1 915 . 1 1 79 79 ARG HB2 H 1 1.780 0.04 . 2 . . . . . 77 ARG HB2 . 16999 1 916 . 1 1 79 79 ARG HB3 H 1 1.780 0.04 . 2 . . . . . 77 ARG HB3 . 16999 1 917 . 1 1 79 79 ARG HD2 H 1 3.170 0.04 . 2 . . . . . 77 ARG HD2 . 16999 1 918 . 1 1 79 79 ARG HD3 H 1 3.170 0.04 . 2 . . . . . 77 ARG HD3 . 16999 1 919 . 1 1 79 79 ARG C C 13 178.332 0.4 . 1 . . . . . 77 ARG C . 16999 1 920 . 1 1 79 79 ARG CA C 13 59.997 0.40 . 1 . . . . . 77 ARG CA . 16999 1 921 . 1 1 79 79 ARG CB C 13 30.438 0.40 . 1 . . . . . 77 ARG CB . 16999 1 922 . 1 1 79 79 ARG CD C 13 43.449 0.40 . 1 . . . . . 77 ARG CD . 16999 1 923 . 1 1 79 79 ARG N N 15 117.491 0.40 . 1 . . . . . 77 ARG N . 16999 1 924 . 1 1 80 80 GLN H H 1 8.084 0.04 . 1 . . . . . 78 GLN H . 16999 1 925 . 1 1 80 80 GLN HA H 1 3.725 0.04 . 1 . . . . . 78 GLN HA . 16999 1 926 . 1 1 80 80 GLN HB2 H 1 2.152 0.04 . 2 . . . . . 78 GLN HB2 . 16999 1 927 . 1 1 80 80 GLN HB3 H 1 2.040 0.04 . 2 . . . . . 78 GLN HB3 . 16999 1 928 . 1 1 80 80 GLN HE21 H 1 6.927 0.04 . 1 . . . . . 78 GLN HE21 . 16999 1 929 . 1 1 80 80 GLN HE22 H 1 7.939 0.04 . 2 . . . . . 78 GLN HE22 . 16999 1 930 . 1 1 80 80 GLN HG2 H 1 2.380 0.04 . 2 . . . . . 78 GLN HG2 . 16999 1 931 . 1 1 80 80 GLN HG3 H 1 2.341 0.04 . 2 . . . . . 78 GLN HG3 . 16999 1 932 . 1 1 80 80 GLN C C 13 176.204 0.4 . 1 . . . . . 78 GLN C . 16999 1 933 . 1 1 80 80 GLN CA C 13 58.305 0.40 . 1 . . . . . 78 GLN CA . 16999 1 934 . 1 1 80 80 GLN CB C 13 27.981 0.40 . 1 . . . . . 78 GLN CB . 16999 1 935 . 1 1 80 80 GLN CG C 13 32.934 0.40 . 1 . . . . . 78 GLN CG . 16999 1 936 . 1 1 80 80 GLN N N 15 118.787 0.40 . 1 . . . . . 78 GLN N . 16999 1 937 . 1 1 80 80 GLN NE2 N 15 116.996 0.04 . 1 . . . . . 78 GLN NE2 . 16999 1 938 . 1 1 81 81 ALA H H 1 7.978 0.04 . 1 . . . . . 79 ALA H . 16999 1 939 . 1 1 81 81 ALA HA H 1 4.083 0.04 . 1 . . . . . 79 ALA HA . 16999 1 940 . 1 1 81 81 ALA HB1 H 1 1.448 0.04 . 1 . . . . . 79 ALA HB . 16999 1 941 . 1 1 81 81 ALA HB2 H 1 1.448 0.04 . 1 . . . . . 79 ALA HB . 16999 1 942 . 1 1 81 81 ALA HB3 H 1 1.448 0.04 . 1 . . . . . 79 ALA HB . 16999 1 943 . 1 1 81 81 ALA C C 13 181.239 0.4 . 1 . . . . . 79 ALA C . 16999 1 944 . 1 1 81 81 ALA CA C 13 54.866 0.40 . 1 . . . . . 79 ALA CA . 16999 1 945 . 1 1 81 81 ALA CB C 13 17.610 0.40 . 1 . . . . . 79 ALA CB . 16999 1 946 . 1 1 81 81 ALA N N 15 121.542 0.40 . 1 . . . . . 79 ALA N . 16999 1 947 . 1 1 82 82 LEU H H 1 7.599 0.04 . 1 . . . . . 80 LEU H . 16999 1 948 . 1 1 82 82 LEU HA H 1 3.947 0.04 . 1 . . . . . 80 LEU HA . 16999 1 949 . 1 1 82 82 LEU HB2 H 1 2.111 0.04 . 2 . . . . . 80 LEU HB2 . 16999 1 950 . 1 1 82 82 LEU HB3 H 1 1.026 0.04 . 2 . . . . . 80 LEU HB3 . 16999 1 951 . 1 1 82 82 LEU HD11 H 1 0.545 0.04 . 1 . . . . . 80 LEU HD1 . 16999 1 952 . 1 1 82 82 LEU HD12 H 1 0.545 0.04 . 1 . . . . . 80 LEU HD1 . 16999 1 953 . 1 1 82 82 LEU HD13 H 1 0.545 0.04 . 1 . . . . . 80 LEU HD1 . 16999 1 954 . 1 1 82 82 LEU HD21 H 1 1.000 0.04 . 1 . . . . . 80 LEU HD2 . 16999 1 955 . 1 1 82 82 LEU HD22 H 1 1.000 0.04 . 1 . . . . . 80 LEU HD2 . 16999 1 956 . 1 1 82 82 LEU HD23 H 1 1.000 0.04 . 1 . . . . . 80 LEU HD2 . 16999 1 957 . 1 1 82 82 LEU HG H 1 1.290 0.04 . 1 . . . . . 80 LEU HG . 16999 1 958 . 1 1 82 82 LEU C C 13 178.988 0.4 . 1 . . . . . 80 LEU C . 16999 1 959 . 1 1 82 82 LEU CA C 13 57.486 0.40 . 1 . . . . . 80 LEU CA . 16999 1 960 . 1 1 82 82 LEU CB C 13 41.913 0.40 . 1 . . . . . 80 LEU CB . 16999 1 961 . 1 1 82 82 LEU CD1 C 13 26.369 0.40 . 1 . . . . . 80 LEU CD1 . 16999 1 962 . 1 1 82 82 LEU CD2 C 13 23.727 0.40 . 1 . . . . . 80 LEU CD2 . 16999 1 963 . 1 1 82 82 LEU CG C 13 26.723 0.40 . 1 . . . . . 80 LEU CG . 16999 1 964 . 1 1 82 82 LEU N N 15 116.987 0.40 . 1 . . . . . 80 LEU N . 16999 1 965 . 1 1 83 83 ARG H H 1 7.812 0.04 . 1 . . . . . 81 ARG H . 16999 1 966 . 1 1 83 83 ARG HA H 1 3.800 0.04 . 1 . . . . . 81 ARG HA . 16999 1 967 . 1 1 83 83 ARG HB2 H 1 1.780 0.04 . 2 . . . . . 81 ARG HB2 . 16999 1 968 . 1 1 83 83 ARG HB3 H 1 1.870 0.04 . 2 . . . . . 81 ARG HB3 . 16999 1 969 . 1 1 83 83 ARG HD2 H 1 3.165 0.04 . 2 . . . . . 81 ARG HD2 . 16999 1 970 . 1 1 83 83 ARG HD3 H 1 3.041 0.04 . 2 . . . . . 81 ARG HD3 . 16999 1 971 . 1 1 83 83 ARG HG2 H 1 1.853 0.04 . 2 . . . . . 81 ARG HG2 . 16999 1 972 . 1 1 83 83 ARG HG3 H 1 1.496 0.04 . 2 . . . . . 81 ARG HG3 . 16999 1 973 . 1 1 83 83 ARG C C 13 177.957 0.4 . 1 . . . . . 81 ARG C . 16999 1 974 . 1 1 83 83 ARG CA C 13 59.861 0.40 . 1 . . . . . 81 ARG CA . 16999 1 975 . 1 1 83 83 ARG CB C 13 30.083 0.40 . 1 . . . . . 81 ARG CB . 16999 1 976 . 1 1 83 83 ARG CD C 13 43.407 0.40 . 1 . . . . . 81 ARG CD . 16999 1 977 . 1 1 83 83 ARG CG C 13 28.944 0.40 . 1 . . . . . 81 ARG CG . 16999 1 978 . 1 1 83 83 ARG N N 15 118.352 0.40 . 1 . . . . . 81 ARG N . 16999 1 979 . 1 1 84 84 ASP H H 1 7.940 0.04 . 1 . . . . . 82 ASP H . 16999 1 980 . 1 1 84 84 ASP HA H 1 4.547 0.04 . 1 . . . . . 82 ASP HA . 16999 1 981 . 1 1 84 84 ASP HB2 H 1 2.777 0.04 . 2 . . . . . 82 ASP HB2 . 16999 1 982 . 1 1 84 84 ASP HB3 H 1 2.487 0.04 . 2 . . . . . 82 ASP HB3 . 16999 1 983 . 1 1 84 84 ASP CA C 13 54.835 0.40 . 1 . . . . . 82 ASP CA . 16999 1 984 . 1 1 84 84 ASP CB C 13 40.998 0.40 . 1 . . . . . 82 ASP CB . 16999 1 985 . 1 1 84 84 ASP N N 15 117.047 0.40 . 1 . . . . . 82 ASP N . 16999 1 986 . 1 1 85 85 LEU HA H 1 4.544 0.04 . 1 . . . . . 83 LEU HA . 16999 1 987 . 1 1 85 85 LEU HB2 H 1 1.520 0.04 . 2 . . . . . 83 LEU HB2 . 16999 1 988 . 1 1 85 85 LEU HB3 H 1 1.520 0.04 . 2 . . . . . 83 LEU HB3 . 16999 1 989 . 1 1 85 85 LEU CA C 13 52.980 0.40 . 1 . . . . . 83 LEU CA . 16999 1 990 . 1 1 85 85 LEU CB C 13 42.001 0.40 . 1 . . . . . 83 LEU CB . 16999 1 991 . 1 1 86 86 PRO HA H 1 4.380 0.04 . 1 . . . . . 84 PRO HA . 16999 1 992 . 1 1 86 86 PRO HB2 H 1 2.183 0.04 . 2 . . . . . 84 PRO HB2 . 16999 1 993 . 1 1 86 86 PRO HB3 H 1 2.183 0.04 . 2 . . . . . 84 PRO HB3 . 16999 1 994 . 1 1 86 86 PRO HD2 H 1 3.756 0.04 . 2 . . . . . 84 PRO HD2 . 16999 1 995 . 1 1 86 86 PRO HD3 H 1 3.573 0.04 . 2 . . . . . 84 PRO HD3 . 16999 1 996 . 1 1 86 86 PRO HG2 H 1 1.984 0.04 . 2 . . . . . 84 PRO HG2 . 16999 1 997 . 1 1 86 86 PRO HG3 H 1 1.984 0.04 . 2 . . . . . 84 PRO HG3 . 16999 1 998 . 1 1 86 86 PRO C C 13 176.026 0.4 . 1 . . . . . 84 PRO C . 16999 1 999 . 1 1 86 86 PRO CA C 13 63.272 0.40 . 1 . . . . . 84 PRO CA . 16999 1 1000 . 1 1 86 86 PRO CB C 13 31.939 0.40 . 1 . . . . . 84 PRO CB . 16999 1 1001 . 1 1 86 86 PRO CD C 13 50.531 0.40 . 1 . . . . . 84 PRO CD . 16999 1 1002 . 1 1 86 86 PRO CG C 13 27.513 0.40 . 1 . . . . . 84 PRO CG . 16999 1 1003 . 1 1 87 87 GLU H H 1 7.637 0.04 . 1 . . . . . 85 GLU H . 16999 1 1004 . 1 1 87 87 GLU N N 15 124.169 0.40 . 1 . . . . . 85 GLU N . 16999 1 1005 . 1 1 95 95 ILE HA H 1 3.560 0.04 . 1 . . . . . 93 ILE HA . 16999 1 1006 . 1 1 95 95 ILE HB H 1 1.533 0.04 . 1 . . . . . 93 ILE HB . 16999 1 1007 . 1 1 95 95 ILE HD11 H 1 0.660 0.04 . 1 . . . . . 93 ILE HD1 . 16999 1 1008 . 1 1 95 95 ILE HD12 H 1 0.660 0.04 . 1 . . . . . 93 ILE HD1 . 16999 1 1009 . 1 1 95 95 ILE HD13 H 1 0.660 0.04 . 1 . . . . . 93 ILE HD1 . 16999 1 1010 . 1 1 95 95 ILE HG12 H 1 1.325 0.04 . 2 . . . . . 93 ILE HG12 . 16999 1 1011 . 1 1 95 95 ILE HG13 H 1 0.836 0.04 . 2 . . . . . 93 ILE HG13 . 16999 1 1012 . 1 1 95 95 ILE C C 13 175.125 0.4 . 1 . . . . . 93 ILE C . 16999 1 1013 . 1 1 95 95 ILE CA C 13 61.171 0.40 . 1 . . . . . 93 ILE CA . 16999 1 1014 . 1 1 95 95 ILE CB C 13 38.053 0.40 . 1 . . . . . 93 ILE CB . 16999 1 1015 . 1 1 95 95 ILE CD1 C 13 13.294 0.40 . 1 . . . . . 93 ILE CD1 . 16999 1 1016 . 1 1 95 95 ILE CG1 C 13 27.567 0.40 . 1 . . . . . 93 ILE CG1 . 16999 1 1017 . 1 1 96 96 VAL H H 1 8.123 0.04 . 1 . . . . . 94 VAL H . 16999 1 1018 . 1 1 96 96 VAL HA H 1 4.026 0.04 . 1 . . . . . 94 VAL HA . 16999 1 1019 . 1 1 96 96 VAL HB H 1 1.836 0.04 . 1 . . . . . 94 VAL HB . 16999 1 1020 . 1 1 96 96 VAL HG11 H 1 0.778 0.04 . 1 . . . . . 94 VAL HG1 . 16999 1 1021 . 1 1 96 96 VAL HG12 H 1 0.778 0.04 . 1 . . . . . 94 VAL HG1 . 16999 1 1022 . 1 1 96 96 VAL HG13 H 1 0.778 0.04 . 1 . . . . . 94 VAL HG1 . 16999 1 1023 . 1 1 96 96 VAL HG21 H 1 0.806 0.04 . 1 . . . . . 94 VAL HG2 . 16999 1 1024 . 1 1 96 96 VAL HG22 H 1 0.806 0.04 . 1 . . . . . 94 VAL HG2 . 16999 1 1025 . 1 1 96 96 VAL HG23 H 1 0.806 0.04 . 1 . . . . . 94 VAL HG2 . 16999 1 1026 . 1 1 96 96 VAL C C 13 175.235 0.4 . 1 . . . . . 94 VAL C . 16999 1 1027 . 1 1 96 96 VAL CA C 13 61.197 0.40 . 1 . . . . . 94 VAL CA . 16999 1 1028 . 1 1 96 96 VAL CB C 13 31.721 0.40 . 1 . . . . . 94 VAL CB . 16999 1 1029 . 1 1 96 96 VAL CG1 C 13 21.057 0.40 . 1 . . . . . 94 VAL CG1 . 16999 1 1030 . 1 1 96 96 VAL CG2 C 13 20.322 0.40 . 1 . . . . . 94 VAL CG2 . 16999 1 1031 . 1 1 96 96 VAL N N 15 129.798 0.40 . 1 . . . . . 94 VAL N . 16999 1 1032 . 1 1 97 97 TRP H H 1 8.316 0.04 . 1 . . . . . 95 TRP H . 16999 1 1033 . 1 1 97 97 TRP HA H 1 4.414 0.04 . 1 . . . . . 95 TRP HA . 16999 1 1034 . 1 1 97 97 TRP HB2 H 1 3.169 0.04 . 2 . . . . . 95 TRP HB2 . 16999 1 1035 . 1 1 97 97 TRP HB3 H 1 2.897 0.04 . 2 . . . . . 95 TRP HB3 . 16999 1 1036 . 1 1 97 97 TRP HD1 H 1 7.254 0.04 . 1 . . . . . 95 TRP HD1 . 16999 1 1037 . 1 1 97 97 TRP HE1 H 1 10.133 0.04 . 1 . . . . . 95 TRP HE1 . 16999 1 1038 . 1 1 97 97 TRP HH2 H 1 7.123 0.04 . 1 . . . . . 95 TRP HH2 . 16999 1 1039 . 1 1 97 97 TRP HZ2 H 1 7.325 0.04 . 1 . . . . . 95 TRP HZ2 . 16999 1 1040 . 1 1 97 97 TRP HZ3 H 1 6.664 0.04 . 1 . . . . . 95 TRP HZ3 . 16999 1 1041 . 1 1 97 97 TRP CA C 13 55.610 0.40 . 1 . . . . . 95 TRP CA . 16999 1 1042 . 1 1 97 97 TRP CB C 13 28.334 0.40 . 1 . . . . . 95 TRP CB . 16999 1 1043 . 1 1 97 97 TRP CD1 C 13 127.831 0.40 . 1 . . . . . 95 TRP CD1 . 16999 1 1044 . 1 1 97 97 TRP CH2 C 13 123.364 0.40 . 1 . . . . . 95 TRP CH2 . 16999 1 1045 . 1 1 97 97 TRP CZ2 C 13 114.619 0.40 . 1 . . . . . 95 TRP CZ2 . 16999 1 1046 . 1 1 97 97 TRP CZ3 C 13 120.830 0.40 . 1 . . . . . 95 TRP CZ3 . 16999 1 1047 . 1 1 97 97 TRP N N 15 128.792 0.40 . 1 . . . . . 95 TRP N . 16999 1 1048 . 1 1 97 97 TRP NE1 N 15 129.619 0.04 . 1 . . . . . 95 TRP NE1 . 16999 1 1049 . 1 1 98 98 PRO HA H 1 4.472 0.04 . 1 . . . . . 96 PRO HA . 16999 1 1050 . 1 1 98 98 PRO HB2 H 1 2.337 0.04 . 2 . . . . . 96 PRO HB2 . 16999 1 1051 . 1 1 98 98 PRO HB3 H 1 2.016 0.04 . 2 . . . . . 96 PRO HB3 . 16999 1 1052 . 1 1 98 98 PRO HD2 H 1 3.893 0.04 . 2 . . . . . 96 PRO HD2 . 16999 1 1053 . 1 1 98 98 PRO HD3 H 1 3.893 0.04 . 2 . . . . . 96 PRO HD3 . 16999 1 1054 . 1 1 98 98 PRO HG2 H 1 1.816 0.04 . 2 . . . . . 96 PRO HG2 . 16999 1 1055 . 1 1 98 98 PRO HG3 H 1 1.816 0.04 . 2 . . . . . 96 PRO HG3 . 16999 1 1056 . 1 1 98 98 PRO C C 13 176.245 0.4 . 1 . . . . . 96 PRO C . 16999 1 1057 . 1 1 98 98 PRO CA C 13 62.454 0.40 . 1 . . . . . 96 PRO CA . 16999 1 1058 . 1 1 98 98 PRO CB C 13 31.939 0.40 . 1 . . . . . 96 PRO CB . 16999 1 1059 . 1 1 98 98 PRO CD C 13 50.613 0.40 . 1 . . . . . 96 PRO CD . 16999 1 1060 . 1 1 98 98 PRO CG C 13 27.786 0.40 . 1 . . . . . 96 PRO CG . 16999 1 1061 . 1 1 99 99 GLN H H 1 8.589 0.04 . 1 . . . . . 97 GLN H . 16999 1 1062 . 1 1 99 99 GLN HA H 1 4.189 0.04 . 1 . . . . . 97 GLN HA . 16999 1 1063 . 1 1 99 99 GLN HB2 H 1 1.924 0.04 . 2 . . . . . 97 GLN HB2 . 16999 1 1064 . 1 1 99 99 GLN HB3 H 1 1.924 0.04 . 2 . . . . . 97 GLN HB3 . 16999 1 1065 . 1 1 99 99 GLN HE21 H 1 6.830 0.04 . 1 . . . . . 97 GLN HE21 . 16999 1 1066 . 1 1 99 99 GLN HE22 H 1 7.602 0.04 . 2 . . . . . 97 GLN HE22 . 16999 1 1067 . 1 1 99 99 GLN HG2 H 1 2.358 0.04 . 2 . . . . . 97 GLN HG2 . 16999 1 1068 . 1 1 99 99 GLN HG3 H 1 2.358 0.04 . 2 . . . . . 97 GLN HG3 . 16999 1 1069 . 1 1 99 99 GLN C C 13 175.439 0.4 . 1 . . . . . 97 GLN C . 16999 1 1070 . 1 1 99 99 GLN CA C 13 55.576 0.40 . 1 . . . . . 97 GLN CA . 16999 1 1071 . 1 1 99 99 GLN CB C 13 29.592 0.40 . 1 . . . . . 97 GLN CB . 16999 1 1072 . 1 1 99 99 GLN CG C 13 33.642 0.40 . 1 . . . . . 97 GLN CG . 16999 1 1073 . 1 1 99 99 GLN N N 15 122.796 0.40 . 1 . . . . . 97 GLN N . 16999 1 1074 . 1 1 99 99 GLN NE2 N 15 113.365 0.04 . 1 . . . . . 97 GLN NE2 . 16999 1 1075 . 1 1 100 100 LEU H H 1 8.278 0.04 . 1 . . . . . 98 LEU H . 16999 1 1076 . 1 1 100 100 LEU HA H 1 3.637 0.04 . 1 . . . . . 98 LEU HA . 16999 1 1077 . 1 1 100 100 LEU HB2 H 1 1.388 0.04 . 2 . . . . . 98 LEU HB2 . 16999 1 1078 . 1 1 100 100 LEU HB3 H 1 1.388 0.04 . 2 . . . . . 98 LEU HB3 . 16999 1 1079 . 1 1 100 100 LEU HD11 H 1 0.897 0.04 . 1 . . . . . 98 LEU HD1 . 16999 1 1080 . 1 1 100 100 LEU HD12 H 1 0.897 0.04 . 1 . . . . . 98 LEU HD1 . 16999 1 1081 . 1 1 100 100 LEU HD13 H 1 0.897 0.04 . 1 . . . . . 98 LEU HD1 . 16999 1 1082 . 1 1 100 100 LEU HD21 H 1 0.835 0.04 . 1 . . . . . 98 LEU HD2 . 16999 1 1083 . 1 1 100 100 LEU HD22 H 1 0.835 0.04 . 1 . . . . . 98 LEU HD2 . 16999 1 1084 . 1 1 100 100 LEU HD23 H 1 0.835 0.04 . 1 . . . . . 98 LEU HD2 . 16999 1 1085 . 1 1 100 100 LEU HG H 1 1.566 0.04 . 1 . . . . . 98 LEU HG . 16999 1 1086 . 1 1 100 100 LEU CA C 13 53.650 0.40 . 1 . . . . . 98 LEU CA . 16999 1 1087 . 1 1 100 100 LEU CB C 13 42.512 0.40 . 1 . . . . . 98 LEU CB . 16999 1 1088 . 1 1 100 100 LEU CD1 C 13 25.116 0.40 . 1 . . . . . 98 LEU CD1 . 16999 1 1089 . 1 1 100 100 LEU CD2 C 13 25.116 0.40 . 1 . . . . . 98 LEU CD2 . 16999 1 1090 . 1 1 100 100 LEU CG C 13 27.132 0.40 . 1 . . . . . 98 LEU CG . 16999 1 1091 . 1 1 100 100 LEU N N 15 127.308 0.40 . 1 . . . . . 98 LEU N . 16999 1 1092 . 1 1 101 101 PRO HA H 1 4.005 0.04 . 1 . . . . . 99 PRO HA . 16999 1 1093 . 1 1 101 101 PRO HB2 H 1 1.521 0.04 . 2 . . . . . 99 PRO HB2 . 16999 1 1094 . 1 1 101 101 PRO HB3 H 1 0.814 0.04 . 2 . . . . . 99 PRO HB3 . 16999 1 1095 . 1 1 101 101 PRO HD2 H 1 2.664 0.04 . 2 . . . . . 99 PRO HD2 . 16999 1 1096 . 1 1 101 101 PRO HD3 H 1 1.983 0.04 . 2 . . . . . 99 PRO HD3 . 16999 1 1097 . 1 1 101 101 PRO HG2 H 1 0.769 0.04 . 2 . . . . . 99 PRO HG2 . 16999 1 1098 . 1 1 101 101 PRO HG3 H 1 -0.032 0.04 . 2 . . . . . 99 PRO HG3 . 16999 1 1099 . 1 1 101 101 PRO C C 13 174.634 0.4 . 1 . . . . . 99 PRO C . 16999 1 1100 . 1 1 101 101 PRO CA C 13 62.781 0.40 . 1 . . . . . 99 PRO CA . 16999 1 1101 . 1 1 101 101 PRO CB C 13 31.366 0.40 . 1 . . . . . 99 PRO CB . 16999 1 1102 . 1 1 101 101 PRO CD C 13 50.231 0.40 . 1 . . . . . 99 PRO CD . 16999 1 1103 . 1 1 101 101 PRO CG C 13 26.532 0.40 . 1 . . . . . 99 PRO CG . 16999 1 1104 . 1 1 102 102 VAL H H 1 7.181 0.04 . 1 . . . . . 100 VAL H . 16999 1 1105 . 1 1 102 102 VAL HA H 1 3.961 0.04 . 1 . . . . . 100 VAL HA . 16999 1 1106 . 1 1 102 102 VAL HB H 1 1.997 0.04 . 1 . . . . . 100 VAL HB . 16999 1 1107 . 1 1 102 102 VAL HG11 H 1 0.850 0.04 . 1 . . . . . 100 VAL HG1 . 16999 1 1108 . 1 1 102 102 VAL HG12 H 1 0.850 0.04 . 1 . . . . . 100 VAL HG1 . 16999 1 1109 . 1 1 102 102 VAL HG13 H 1 0.850 0.04 . 1 . . . . . 100 VAL HG1 . 16999 1 1110 . 1 1 102 102 VAL HG21 H 1 0.808 0.04 . 1 . . . . . 100 VAL HG2 . 16999 1 1111 . 1 1 102 102 VAL HG22 H 1 0.808 0.04 . 1 . . . . . 100 VAL HG2 . 16999 1 1112 . 1 1 102 102 VAL HG23 H 1 0.808 0.04 . 1 . . . . . 100 VAL HG2 . 16999 1 1113 . 1 1 102 102 VAL CA C 13 63.210 0.40 . 1 . . . . . 100 VAL CA . 16999 1 1114 . 1 1 102 102 VAL CB C 13 33.480 0.40 . 1 . . . . . 100 VAL CB . 16999 1 1115 . 1 1 102 102 VAL CG1 C 13 21.765 0.40 . 1 . . . . . 100 VAL CG1 . 16999 1 1116 . 1 1 102 102 VAL CG2 C 13 19.831 0.40 . 1 . . . . . 100 VAL CG2 . 16999 1 1117 . 1 1 102 102 VAL N N 15 122.548 0.40 . 1 . . . . . 100 VAL N . 16999 1 stop_ save_