################################### # 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 16001 _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 0.035 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 7 '3D HNCA' . . . 16001 1 8 '3D HNCACB' . . . 16001 1 9 '3D HN(CO)CA' . . . 16001 1 10 '3D CBCA(CO)NH' . . . 16001 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.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 1 1 MET HA H 1 4.138 0.035 . 1 . . . . 1 MET HA . 16001 1 2 . 1 1 1 1 MET HB2 H 1 2.037 0.035 . 2 . . . . 1 MET HB2 . 16001 1 3 . 1 1 1 1 MET HB3 H 1 2.185 0.035 . 2 . . . . 1 MET HB3 . 16001 1 4 . 1 1 1 1 MET HE1 H 1 2.017 0.035 . 1 . . . . 1 MET HE1 . 16001 1 5 . 1 1 1 1 MET HE2 H 1 2.017 0.035 . 1 . . . . 1 MET HE1 . 16001 1 6 . 1 1 1 1 MET HE3 H 1 2.017 0.035 . 1 . . . . 1 MET HE1 . 16001 1 7 . 1 1 1 1 MET HG2 H 1 2.412 0.035 . 2 . . . . 1 MET HG2 . 16001 1 8 . 1 1 1 1 MET HG3 H 1 2.547 0.035 . 2 . . . . 1 MET HG3 . 16001 1 9 . 1 1 1 1 MET C C 13 172.079 0.400 . 1 . . . . 1 MET C . 16001 1 10 . 1 1 1 1 MET CA C 13 54.506 0.400 . 1 . . . . 1 MET CA . 16001 1 11 . 1 1 1 1 MET CB C 13 33.231 0.400 . 1 . . . . 1 MET CB . 16001 1 12 . 1 1 1 1 MET CE C 13 16.709 0.400 . 1 . . . . 1 MET CE . 16001 1 13 . 1 1 1 1 MET CG C 13 30.199 0.400 . 1 . . . . 1 MET CG . 16001 1 14 . 1 1 2 2 ASP H H 1 8.989 0.035 . 1 . . . . 2 ASP H . 16001 1 15 . 1 1 2 2 ASP HA H 1 4.662 0.035 . 1 . . . . 2 ASP HA . 16001 1 16 . 1 1 2 2 ASP HB2 H 1 2.622 0.035 . 2 . . . . 2 ASP HB2 . 16001 1 17 . 1 1 2 2 ASP HB3 H 1 2.824 0.035 . 2 . . . . 2 ASP HB3 . 16001 1 18 . 1 1 2 2 ASP C C 13 177.024 0.400 . 1 . . . . 2 ASP C . 16001 1 19 . 1 1 2 2 ASP CA C 13 54.092 0.400 . 1 . . . . 2 ASP CA . 16001 1 20 . 1 1 2 2 ASP CB C 13 42.743 0.400 . 1 . . . . 2 ASP CB . 16001 1 21 . 1 1 2 2 ASP N N 15 126.287 0.400 . 1 . . . . 2 ASP N . 16001 1 22 . 1 1 3 3 ASN H H 1 9.165 0.035 . 1 . . . . 3 ASN H . 16001 1 23 . 1 1 3 3 ASN HA H 1 4.446 0.035 . 1 . . . . 3 ASN HA . 16001 1 24 . 1 1 3 3 ASN HB2 H 1 2.890 0.035 . 2 . . . . 3 ASN HB2 . 16001 1 25 . 1 1 3 3 ASN HB3 H 1 2.890 0.035 . 2 . . . . 3 ASN HB3 . 16001 1 26 . 1 1 3 3 ASN HD21 H 1 7.764 0.035 . 2 . . . . 3 ASN HD21 . 16001 1 27 . 1 1 3 3 ASN HD22 H 1 7.076 0.035 . 2 . . . . 3 ASN HD22 . 16001 1 28 . 1 1 3 3 ASN C C 13 177.306 0.400 . 1 . . . . 3 ASN C . 16001 1 29 . 1 1 3 3 ASN CA C 13 56.355 0.400 . 1 . . . . 3 ASN CA . 16001 1 30 . 1 1 3 3 ASN CB C 13 38.382 0.400 . 1 . . . . 3 ASN CB . 16001 1 31 . 1 1 3 3 ASN CG C 13 176.313 0.400 . 1 . . . . 3 ASN CG . 16001 1 32 . 1 1 3 3 ASN N N 15 124.055 0.400 . 1 . . . . 3 ASN N . 16001 1 33 . 1 1 3 3 ASN ND2 N 15 114.135 0.400 . 1 . . . . 3 ASN ND2 . 16001 1 34 . 1 1 4 4 ARG H H 1 9.092 0.035 . 1 . . . . 4 ARG H . 16001 1 35 . 1 1 4 4 ARG HA H 1 4.183 0.035 . 1 . . . . 4 ARG HA . 16001 1 36 . 1 1 4 4 ARG HB2 H 1 1.619 0.035 . 2 . . . . 4 ARG HB2 . 16001 1 37 . 1 1 4 4 ARG HB3 H 1 2.051 0.035 . 2 . . . . 4 ARG HB3 . 16001 1 38 . 1 1 4 4 ARG HD2 H 1 3.140 0.035 . 2 . . . . 4 ARG HD2 . 16001 1 39 . 1 1 4 4 ARG HD3 H 1 3.163 0.035 . 2 . . . . 4 ARG HD3 . 16001 1 40 . 1 1 4 4 ARG HG2 H 1 1.861 0.035 . 2 . . . . 4 ARG HG2 . 16001 1 41 . 1 1 4 4 ARG HG3 H 1 1.929 0.035 . 2 . . . . 4 ARG HG3 . 16001 1 42 . 1 1 4 4 ARG C C 13 178.824 0.400 . 1 . . . . 4 ARG C . 16001 1 43 . 1 1 4 4 ARG CA C 13 59.401 0.400 . 1 . . . . 4 ARG CA . 16001 1 44 . 1 1 4 4 ARG CB C 13 29.437 0.400 . 1 . . . . 4 ARG CB . 16001 1 45 . 1 1 4 4 ARG CD C 13 43.021 0.400 . 1 . . . . 4 ARG CD . 16001 1 46 . 1 1 4 4 ARG CG C 13 27.522 0.400 . 1 . . . . 4 ARG CG . 16001 1 47 . 1 1 4 4 ARG N N 15 119.970 0.400 . 1 . . . . 4 ARG N . 16001 1 48 . 1 1 5 5 VAL H H 1 7.588 0.035 . 1 . . . . 5 VAL H . 16001 1 49 . 1 1 5 5 VAL HA H 1 3.458 0.035 . 1 . . . . 5 VAL HA . 16001 1 50 . 1 1 5 5 VAL HB H 1 2.067 0.035 . 1 . . . . 5 VAL HB . 16001 1 51 . 1 1 5 5 VAL HG11 H 1 0.438 0.035 . 2 . . . . 5 VAL HG1 . 16001 1 52 . 1 1 5 5 VAL HG12 H 1 0.438 0.035 . 2 . . . . 5 VAL HG1 . 16001 1 53 . 1 1 5 5 VAL HG13 H 1 0.438 0.035 . 2 . . . . 5 VAL HG1 . 16001 1 54 . 1 1 5 5 VAL HG21 H 1 0.782 0.035 . 2 . . . . 5 VAL HG2 . 16001 1 55 . 1 1 5 5 VAL HG22 H 1 0.782 0.035 . 2 . . . . 5 VAL HG2 . 16001 1 56 . 1 1 5 5 VAL HG23 H 1 0.782 0.035 . 2 . . . . 5 VAL HG2 . 16001 1 57 . 1 1 5 5 VAL C C 13 177.573 0.400 . 1 . . . . 5 VAL C . 16001 1 58 . 1 1 5 5 VAL CA C 13 66.543 0.400 . 1 . . . . 5 VAL CA . 16001 1 59 . 1 1 5 5 VAL CB C 13 31.294 0.400 . 1 . . . . 5 VAL CB . 16001 1 60 . 1 1 5 5 VAL CG1 C 13 21.895 0.400 . 1 . . . . 5 VAL CG1 . 16001 1 61 . 1 1 5 5 VAL CG2 C 13 24.286 0.400 . 1 . . . . 5 VAL CG2 . 16001 1 62 . 1 1 5 5 VAL N N 15 119.312 0.400 . 1 . . . . 5 VAL N . 16001 1 63 . 1 1 6 6 ARG H H 1 7.920 0.035 . 1 . . . . 6 ARG H . 16001 1 64 . 1 1 6 6 ARG HA H 1 3.860 0.035 . 1 . . . . 6 ARG HA . 16001 1 65 . 1 1 6 6 ARG HB2 H 1 1.844 0.035 . 2 . . . . 6 ARG HB2 . 16001 1 66 . 1 1 6 6 ARG HB3 H 1 1.993 0.035 . 2 . . . . 6 ARG HB3 . 16001 1 67 . 1 1 6 6 ARG HD2 H 1 3.289 0.035 . 2 . . . . 6 ARG HD2 . 16001 1 68 . 1 1 6 6 ARG HD3 H 1 3.289 0.035 . 2 . . . . 6 ARG HD3 . 16001 1 69 . 1 1 6 6 ARG HG2 H 1 1.630 0.035 . 2 . . . . 6 ARG HG2 . 16001 1 70 . 1 1 6 6 ARG HG3 H 1 1.715 0.035 . 2 . . . . 6 ARG HG3 . 16001 1 71 . 1 1 6 6 ARG C C 13 179.380 0.400 . 1 . . . . 6 ARG C . 16001 1 72 . 1 1 6 6 ARG CA C 13 60.197 0.400 . 1 . . . . 6 ARG CA . 16001 1 73 . 1 1 6 6 ARG CB C 13 29.818 0.400 . 1 . . . . 6 ARG CB . 16001 1 74 . 1 1 6 6 ARG CD C 13 43.041 0.400 . 1 . . . . 6 ARG CD . 16001 1 75 . 1 1 6 6 ARG CG C 13 27.084 0.400 . 1 . . . . 6 ARG CG . 16001 1 76 . 1 1 6 6 ARG N N 15 120.863 0.400 . 1 . . . . 6 ARG N . 16001 1 77 . 1 1 7 7 GLU H H 1 8.262 0.035 . 1 . . . . 7 GLU H . 16001 1 78 . 1 1 7 7 GLU HA H 1 4.241 0.035 . 1 . . . . 7 GLU HA . 16001 1 79 . 1 1 7 7 GLU HB2 H 1 2.065 0.035 . 2 . . . . 7 GLU HB2 . 16001 1 80 . 1 1 7 7 GLU HB3 H 1 2.255 0.035 . 2 . . . . 7 GLU HB3 . 16001 1 81 . 1 1 7 7 GLU HG2 H 1 2.419 0.035 . 2 . . . . 7 GLU HG2 . 16001 1 82 . 1 1 7 7 GLU HG3 H 1 2.503 0.035 . 2 . . . . 7 GLU HG3 . 16001 1 83 . 1 1 7 7 GLU C C 13 179.131 0.400 . 1 . . . . 7 GLU C . 16001 1 84 . 1 1 7 7 GLU CA C 13 58.770 0.400 . 1 . . . . 7 GLU CA . 16001 1 85 . 1 1 7 7 GLU CB C 13 28.883 0.400 . 1 . . . . 7 GLU CB . 16001 1 86 . 1 1 7 7 GLU CG C 13 35.844 0.400 . 1 . . . . 7 GLU CG . 16001 1 87 . 1 1 7 7 GLU N N 15 119.166 0.400 . 1 . . . . 7 GLU N . 16001 1 88 . 1 1 8 8 ALA H H 1 8.421 0.035 . 1 . . . . 8 ALA H . 16001 1 89 . 1 1 8 8 ALA HA H 1 4.046 0.035 . 1 . . . . 8 ALA HA . 16001 1 90 . 1 1 8 8 ALA HB1 H 1 1.682 0.035 . 1 . . . . 8 ALA HB1 . 16001 1 91 . 1 1 8 8 ALA HB2 H 1 1.682 0.035 . 1 . . . . 8 ALA HB1 . 16001 1 92 . 1 1 8 8 ALA HB3 H 1 1.682 0.035 . 1 . . . . 8 ALA HB1 . 16001 1 93 . 1 1 8 8 ALA C C 13 179.202 0.400 . 1 . . . . 8 ALA C . 16001 1 94 . 1 1 8 8 ALA CA C 13 55.610 0.400 . 1 . . . . 8 ALA CA . 16001 1 95 . 1 1 8 8 ALA CB C 13 18.512 0.400 . 1 . . . . 8 ALA CB . 16001 1 96 . 1 1 8 8 ALA N N 15 123.947 0.400 . 1 . . . . 8 ALA N . 16001 1 97 . 1 1 9 9 CYS H H 1 8.490 0.035 . 1 . . . . 9 CYS H . 16001 1 98 . 1 1 9 9 CYS HA H 1 3.767 0.035 . 1 . . . . 9 CYS HA . 16001 1 99 . 1 1 9 9 CYS HB2 H 1 2.765 0.035 . 2 . . . . 9 CYS HB2 . 16001 1 100 . 1 1 9 9 CYS HB3 H 1 2.981 0.035 . 2 . . . . 9 CYS HB3 . 16001 1 101 . 1 1 9 9 CYS C C 13 176.858 0.400 . 1 . . . . 9 CYS C . 16001 1 102 . 1 1 9 9 CYS CA C 13 64.480 0.400 . 1 . . . . 9 CYS CA . 16001 1 103 . 1 1 9 9 CYS CB C 13 26.690 0.400 . 1 . . . . 9 CYS CB . 16001 1 104 . 1 1 9 9 CYS N N 15 116.232 0.400 . 1 . . . . 9 CYS N . 16001 1 105 . 1 1 10 10 GLN H H 1 8.088 0.035 . 1 . . . . 10 GLN H . 16001 1 106 . 1 1 10 10 GLN HA H 1 4.022 0.035 . 1 . . . . 10 GLN HA . 16001 1 107 . 1 1 10 10 GLN HB2 H 1 2.176 0.035 . 2 . . . . 10 GLN HB2 . 16001 1 108 . 1 1 10 10 GLN HB3 H 1 2.289 0.035 . 2 . . . . 10 GLN HB3 . 16001 1 109 . 1 1 10 10 GLN HE21 H 1 7.853 0.035 . 2 . . . . 10 GLN HE21 . 16001 1 110 . 1 1 10 10 GLN HE22 H 1 6.935 0.035 . 2 . . . . 10 GLN HE22 . 16001 1 111 . 1 1 10 10 GLN HG2 H 1 2.467 0.035 . 2 . . . . 10 GLN HG2 . 16001 1 112 . 1 1 10 10 GLN HG3 H 1 2.511 0.035 . 2 . . . . 10 GLN HG3 . 16001 1 113 . 1 1 10 10 GLN C C 13 177.140 0.400 . 1 . . . . 10 GLN C . 16001 1 114 . 1 1 10 10 GLN CA C 13 58.804 0.400 . 1 . . . . 10 GLN CA . 16001 1 115 . 1 1 10 10 GLN CB C 13 28.299 0.400 . 1 . . . . 10 GLN CB . 16001 1 116 . 1 1 10 10 GLN CD C 13 180.391 0.400 . 1 . . . . 10 GLN CD . 16001 1 117 . 1 1 10 10 GLN CG C 13 33.487 0.400 . 1 . . . . 10 GLN CG . 16001 1 118 . 1 1 10 10 GLN N N 15 120.817 0.400 . 1 . . . . 10 GLN N . 16001 1 119 . 1 1 10 10 GLN NE2 N 15 115.693 0.400 . 1 . . . . 10 GLN NE2 . 16001 1 120 . 1 1 11 11 TYR H H 1 8.367 0.035 . 1 . . . . 11 TYR H . 16001 1 121 . 1 1 11 11 TYR HA H 1 4.308 0.035 . 1 . . . . 11 TYR HA . 16001 1 122 . 1 1 11 11 TYR HB2 H 1 2.833 0.035 . 2 . . . . 11 TYR HB2 . 16001 1 123 . 1 1 11 11 TYR HB3 H 1 3.220 0.035 . 2 . . . . 11 TYR HB3 . 16001 1 124 . 1 1 11 11 TYR HD1 H 1 6.644 0.035 . 3 . . . . 11 TYR HD1 . 16001 1 125 . 1 1 11 11 TYR HD2 H 1 6.644 0.035 . 3 . . . . 11 TYR HD2 . 16001 1 126 . 1 1 11 11 TYR HE1 H 1 6.490 0.035 . 3 . . . . 11 TYR HE1 . 16001 1 127 . 1 1 11 11 TYR HE2 H 1 6.490 0.035 . 3 . . . . 11 TYR HE2 . 16001 1 128 . 1 1 11 11 TYR C C 13 178.986 0.400 . 1 . . . . 11 TYR C . 16001 1 129 . 1 1 11 11 TYR CA C 13 61.850 0.400 . 1 . . . . 11 TYR CA . 16001 1 130 . 1 1 11 11 TYR CB C 13 38.653 0.400 . 1 . . . . 11 TYR CB . 16001 1 131 . 1 1 11 11 TYR CD1 C 13 132.391 0.400 . 3 . . . . 11 TYR CD1 . 16001 1 132 . 1 1 11 11 TYR CD2 C 13 132.490 0.400 . 3 . . . . 11 TYR CD2 . 16001 1 133 . 1 1 11 11 TYR CE1 C 13 117.579 0.400 . 3 . . . . 11 TYR CE1 . 16001 1 134 . 1 1 11 11 TYR CE2 C 13 117.579 0.400 . 3 . . . . 11 TYR CE2 . 16001 1 135 . 1 1 11 11 TYR N N 15 120.419 0.400 . 1 . . . . 11 TYR N . 16001 1 136 . 1 1 12 12 ILE H H 1 8.886 0.035 . 1 . . . . 12 ILE H . 16001 1 137 . 1 1 12 12 ILE HA H 1 3.700 0.035 . 1 . . . . 12 ILE HA . 16001 1 138 . 1 1 12 12 ILE HB H 1 2.420 0.035 . 1 . . . . 12 ILE HB . 16001 1 139 . 1 1 12 12 ILE HD11 H 1 1.035 0.035 . 1 . . . . 12 ILE HD1 . 16001 1 140 . 1 1 12 12 ILE HD12 H 1 1.035 0.035 . 1 . . . . 12 ILE HD1 . 16001 1 141 . 1 1 12 12 ILE HD13 H 1 1.035 0.035 . 1 . . . . 12 ILE HD1 . 16001 1 142 . 1 1 12 12 ILE HG12 H 1 1.192 0.035 . 2 . . . . 12 ILE HG12 . 16001 1 143 . 1 1 12 12 ILE HG13 H 1 2.419 0.035 . 2 . . . . 12 ILE HG13 . 16001 1 144 . 1 1 12 12 ILE HG21 H 1 1.113 0.035 . 1 . . . . 12 ILE HG2 . 16001 1 145 . 1 1 12 12 ILE HG22 H 1 1.113 0.035 . 1 . . . . 12 ILE HG2 . 16001 1 146 . 1 1 12 12 ILE HG23 H 1 1.113 0.035 . 1 . . . . 12 ILE HG2 . 16001 1 147 . 1 1 12 12 ILE C C 13 179.352 0.400 . 1 . . . . 12 ILE C . 16001 1 148 . 1 1 12 12 ILE CA C 13 65.621 0.400 . 1 . . . . 12 ILE CA . 16001 1 149 . 1 1 12 12 ILE CB C 13 38.203 0.400 . 1 . . . . 12 ILE CB . 16001 1 150 . 1 1 12 12 ILE CD1 C 13 14.947 0.400 . 1 . . . . 12 ILE CD1 . 16001 1 151 . 1 1 12 12 ILE CG1 C 13 30.672 0.400 . 1 . . . . 12 ILE CG1 . 16001 1 152 . 1 1 12 12 ILE CG2 C 13 17.467 0.400 . 1 . . . . 12 ILE CG2 . 16001 1 153 . 1 1 12 12 ILE N N 15 119.720 0.400 . 1 . . . . 12 ILE N . 16001 1 154 . 1 1 13 13 SER H H 1 8.740 0.035 . 1 . . . . 13 SER H . 16001 1 155 . 1 1 13 13 SER HA H 1 4.753 0.035 . 1 . . . . 13 SER HA . 16001 1 156 . 1 1 13 13 SER HB2 H 1 4.085 0.035 . 2 . . . . 13 SER HB2 . 16001 1 157 . 1 1 13 13 SER HB3 H 1 4.186 0.035 . 2 . . . . 13 SER HB3 . 16001 1 158 . 1 1 13 13 SER C C 13 176.355 0.400 . 1 . . . . 13 SER C . 16001 1 159 . 1 1 13 13 SER CA C 13 62.551 0.400 . 1 . . . . 13 SER CA . 16001 1 160 . 1 1 13 13 SER CB C 13 62.468 0.400 . 1 . . . . 13 SER CB . 16001 1 161 . 1 1 13 13 SER N N 15 116.217 0.400 . 1 . . . . 13 SER N . 16001 1 162 . 1 1 14 14 ASP H H 1 8.426 0.035 . 1 . . . . 14 ASP H . 16001 1 163 . 1 1 14 14 ASP HA H 1 4.438 0.035 . 1 . . . . 14 ASP HA . 16001 1 164 . 1 1 14 14 ASP HB2 H 1 2.321 0.035 . 2 . . . . 14 ASP HB2 . 16001 1 165 . 1 1 14 14 ASP HB3 H 1 2.604 0.035 . 2 . . . . 14 ASP HB3 . 16001 1 166 . 1 1 14 14 ASP C C 13 176.838 0.400 . 1 . . . . 14 ASP C . 16001 1 167 . 1 1 14 14 ASP CA C 13 55.988 0.400 . 1 . . . . 14 ASP CA . 16001 1 168 . 1 1 14 14 ASP CB C 13 40.500 0.400 . 1 . . . . 14 ASP CB . 16001 1 169 . 1 1 14 14 ASP N N 15 121.201 0.400 . 1 . . . . 14 ASP N . 16001 1 170 . 1 1 15 15 HIS H H 1 7.530 0.035 . 1 . . . . 15 HIS H . 16001 1 171 . 1 1 15 15 HIS HA H 1 4.661 0.035 . 1 . . . . 15 HIS HA . 16001 1 172 . 1 1 15 15 HIS HB2 H 1 2.477 0.035 . 2 . . . . 15 HIS HB2 . 16001 1 173 . 1 1 15 15 HIS HB3 H 1 3.697 0.035 . 2 . . . . 15 HIS HB3 . 16001 1 174 . 1 1 15 15 HIS HD2 H 1 6.712 0.035 . 1 . . . . 15 HIS HD2 . 16001 1 175 . 1 1 15 15 HIS HE1 H 1 8.440 0.035 . 1 . . . . 15 HIS HE1 . 16001 1 176 . 1 1 15 15 HIS C C 13 175.451 0.400 . 1 . . . . 15 HIS C . 16001 1 177 . 1 1 15 15 HIS CA C 13 55.320 0.400 . 1 . . . . 15 HIS CA . 16001 1 178 . 1 1 15 15 HIS CB C 13 28.275 0.400 . 1 . . . . 15 HIS CB . 16001 1 179 . 1 1 15 15 HIS CD2 C 13 120.036 0.400 . 1 . . . . 15 HIS CD2 . 16001 1 180 . 1 1 15 15 HIS CE1 C 13 135.550 0.400 . 1 . . . . 15 HIS CE1 . 16001 1 181 . 1 1 15 15 HIS N N 15 116.777 0.400 . 1 . . . . 15 HIS N . 16001 1 182 . 1 1 16 16 LEU H H 1 7.271 0.035 . 1 . . . . 16 LEU H . 16001 1 183 . 1 1 16 16 LEU HA H 1 3.812 0.035 . 1 . . . . 16 LEU HA . 16001 1 184 . 1 1 16 16 LEU HB2 H 1 1.566 0.035 . 2 . . . . 16 LEU HB2 . 16001 1 185 . 1 1 16 16 LEU HB3 H 1 1.924 0.035 . 2 . . . . 16 LEU HB3 . 16001 1 186 . 1 1 16 16 LEU HD11 H 1 0.865 0.035 . 2 . . . . 16 LEU HD1 . 16001 1 187 . 1 1 16 16 LEU HD12 H 1 0.865 0.035 . 2 . . . . 16 LEU HD1 . 16001 1 188 . 1 1 16 16 LEU HD13 H 1 0.865 0.035 . 2 . . . . 16 LEU HD1 . 16001 1 189 . 1 1 16 16 LEU HD21 H 1 0.798 0.035 . 2 . . . . 16 LEU HD2 . 16001 1 190 . 1 1 16 16 LEU HD22 H 1 0.798 0.035 . 2 . . . . 16 LEU HD2 . 16001 1 191 . 1 1 16 16 LEU HD23 H 1 0.798 0.035 . 2 . . . . 16 LEU HD2 . 16001 1 192 . 1 1 16 16 LEU HG H 1 1.959 0.035 . 1 . . . . 16 LEU HG . 16001 1 193 . 1 1 16 16 LEU C C 13 176.627 0.400 . 1 . . . . 16 LEU C . 16001 1 194 . 1 1 16 16 LEU CA C 13 58.076 0.400 . 1 . . . . 16 LEU CA . 16001 1 195 . 1 1 16 16 LEU CB C 13 42.531 0.400 . 1 . . . . 16 LEU CB . 16001 1 196 . 1 1 16 16 LEU CD1 C 13 25.104 0.400 . 1 . . . . 16 LEU CD1 . 16001 1 197 . 1 1 16 16 LEU CD2 C 13 24.672 0.400 . 1 . . . . 16 LEU CD2 . 16001 1 198 . 1 1 16 16 LEU CG C 13 26.273 0.400 . 1 . . . . 16 LEU CG . 16001 1 199 . 1 1 16 16 LEU N N 15 122.531 0.400 . 1 . . . . 16 LEU N . 16001 1 200 . 1 1 17 17 ALA H H 1 8.243 0.035 . 1 . . . . 17 ALA H . 16001 1 201 . 1 1 17 17 ALA HA H 1 3.937 0.035 . 1 . . . . 17 ALA HA . 16001 1 202 . 1 1 17 17 ALA HB1 H 1 1.303 0.035 . 1 . . . . 17 ALA HB1 . 16001 1 203 . 1 1 17 17 ALA HB2 H 1 1.303 0.035 . 1 . . . . 17 ALA HB1 . 16001 1 204 . 1 1 17 17 ALA HB3 H 1 1.303 0.035 . 1 . . . . 17 ALA HB1 . 16001 1 205 . 1 1 17 17 ALA C C 13 177.131 0.400 . 1 . . . . 17 ALA C . 16001 1 206 . 1 1 17 17 ALA CA C 13 51.802 0.400 . 1 . . . . 17 ALA CA . 16001 1 207 . 1 1 17 17 ALA CB C 13 18.473 0.400 . 1 . . . . 17 ALA CB . 16001 1 208 . 1 1 17 17 ALA N N 15 116.354 0.400 . 1 . . . . 17 ALA N . 16001 1 209 . 1 1 18 18 ASP H H 1 7.488 0.035 . 1 . . . . 18 ASP H . 16001 1 210 . 1 1 18 18 ASP HA H 1 4.455 0.035 . 1 . . . . 18 ASP HA . 16001 1 211 . 1 1 18 18 ASP HB2 H 1 2.835 0.035 . 2 . . . . 18 ASP HB2 . 16001 1 212 . 1 1 18 18 ASP HB3 H 1 2.969 0.035 . 2 . . . . 18 ASP HB3 . 16001 1 213 . 1 1 18 18 ASP C C 13 177.370 0.400 . 1 . . . . 18 ASP C . 16001 1 214 . 1 1 18 18 ASP CA C 13 54.571 0.400 . 1 . . . . 18 ASP CA . 16001 1 215 . 1 1 18 18 ASP CB C 13 40.521 0.400 . 1 . . . . 18 ASP CB . 16001 1 216 . 1 1 18 18 ASP N N 15 119.230 0.400 . 1 . . . . 18 ASP N . 16001 1 217 . 1 1 19 19 SER H H 1 8.793 0.035 . 1 . . . . 19 SER H . 16001 1 218 . 1 1 19 19 SER HA H 1 4.424 0.035 . 1 . . . . 19 SER HA . 16001 1 219 . 1 1 19 19 SER HB2 H 1 3.934 0.035 . 2 . . . . 19 SER HB2 . 16001 1 220 . 1 1 19 19 SER HB3 H 1 3.959 0.035 . 2 . . . . 19 SER HB3 . 16001 1 221 . 1 1 19 19 SER C C 13 174.779 0.400 . 1 . . . . 19 SER C . 16001 1 222 . 1 1 19 19 SER CA C 13 59.706 0.400 . 1 . . . . 19 SER CA . 16001 1 223 . 1 1 19 19 SER CB C 13 63.351 0.400 . 1 . . . . 19 SER CB . 16001 1 224 . 1 1 19 19 SER N N 15 119.892 0.400 . 1 . . . . 19 SER N . 16001 1 225 . 1 1 20 20 ASN H H 1 8.520 0.035 . 1 . . . . 20 ASN H . 16001 1 226 . 1 1 20 20 ASN HA H 1 4.869 0.035 . 1 . . . . 20 ASN HA . 16001 1 227 . 1 1 20 20 ASN HB2 H 1 2.777 0.035 . 2 . . . . 20 ASN HB2 . 16001 1 228 . 1 1 20 20 ASN HB3 H 1 2.826 0.035 . 2 . . . . 20 ASN HB3 . 16001 1 229 . 1 1 20 20 ASN HD21 H 1 7.680 0.035 . 2 . . . . 20 ASN HD21 . 16001 1 230 . 1 1 20 20 ASN HD22 H 1 6.951 0.035 . 2 . . . . 20 ASN HD22 . 16001 1 231 . 1 1 20 20 ASN C C 13 173.838 0.400 . 1 . . . . 20 ASN C . 16001 1 232 . 1 1 20 20 ASN CA C 13 52.586 0.400 . 1 . . . . 20 ASN CA . 16001 1 233 . 1 1 20 20 ASN CB C 13 38.799 0.400 . 1 . . . . 20 ASN CB . 16001 1 234 . 1 1 20 20 ASN CG C 13 177.633 0.400 . 1 . . . . 20 ASN CG . 16001 1 235 . 1 1 20 20 ASN N N 15 119.769 0.400 . 1 . . . . 20 ASN N . 16001 1 236 . 1 1 20 20 ASN ND2 N 15 113.830 0.400 . 1 . . . . 20 ASN ND2 . 16001 1 237 . 1 1 21 21 PHE H H 1 8.082 0.035 . 1 . . . . 21 PHE H . 16001 1 238 . 1 1 21 21 PHE HA H 1 4.397 0.035 . 1 . . . . 21 PHE HA . 16001 1 239 . 1 1 21 21 PHE HB2 H 1 3.081 0.035 . 2 . . . . 21 PHE HB2 . 16001 1 240 . 1 1 21 21 PHE HB3 H 1 2.831 0.035 . 2 . . . . 21 PHE HB3 . 16001 1 241 . 1 1 21 21 PHE HD1 H 1 7.263 0.035 . 3 . . . . 21 PHE HD1 . 16001 1 242 . 1 1 21 21 PHE HD2 H 1 7.263 0.035 . 3 . . . . 21 PHE HD2 . 16001 1 243 . 1 1 21 21 PHE HE1 H 1 7.109 0.035 . 3 . . . . 21 PHE HE1 . 16001 1 244 . 1 1 21 21 PHE HE2 H 1 7.109 0.035 . 3 . . . . 21 PHE HE2 . 16001 1 245 . 1 1 21 21 PHE HZ H 1 6.907 0.035 . 1 . . . . 21 PHE HZ . 16001 1 246 . 1 1 21 21 PHE C C 13 173.520 0.400 . 1 . . . . 21 PHE C . 16001 1 247 . 1 1 21 21 PHE CA C 13 58.672 0.400 . 1 . . . . 21 PHE CA . 16001 1 248 . 1 1 21 21 PHE CB C 13 40.704 0.400 . 1 . . . . 21 PHE CB . 16001 1 249 . 1 1 21 21 PHE CD1 C 13 132.240 0.400 . 3 . . . . 21 PHE CD1 . 16001 1 250 . 1 1 21 21 PHE CD2 C 13 132.289 0.400 . 3 . . . . 21 PHE CD2 . 16001 1 251 . 1 1 21 21 PHE CE1 C 13 130.433 0.400 . 3 . . . . 21 PHE CE1 . 16001 1 252 . 1 1 21 21 PHE CE2 C 13 130.567 0.400 . 3 . . . . 21 PHE CE2 . 16001 1 253 . 1 1 21 21 PHE CZ C 13 128.227 0.400 . 1 . . . . 21 PHE CZ . 16001 1 254 . 1 1 21 21 PHE N N 15 121.875 0.400 . 1 . . . . 21 PHE N . 16001 1 255 . 1 1 22 22 ASP H H 1 7.570 0.035 . 1 . . . . 22 ASP H . 16001 1 256 . 1 1 22 22 ASP HA H 1 4.563 0.035 . 1 . . . . 22 ASP HA . 16001 1 257 . 1 1 22 22 ASP HB2 H 1 2.630 0.035 . 2 . . . . 22 ASP HB2 . 16001 1 258 . 1 1 22 22 ASP HB3 H 1 2.722 0.035 . 2 . . . . 22 ASP HB3 . 16001 1 259 . 1 1 22 22 ASP C C 13 175.674 0.400 . 1 . . . . 22 ASP C . 16001 1 260 . 1 1 22 22 ASP CA C 13 52.049 0.400 . 1 . . . . 22 ASP CA . 16001 1 261 . 1 1 22 22 ASP CB C 13 43.023 0.400 . 1 . . . . 22 ASP CB . 16001 1 262 . 1 1 22 22 ASP N N 15 126.780 0.400 . 1 . . . . 22 ASP N . 16001 1 263 . 1 1 23 23 ILE H H 1 8.720 0.035 . 1 . . . . 23 ILE H . 16001 1 264 . 1 1 23 23 ILE HA H 1 3.555 0.035 . 1 . . . . 23 ILE HA . 16001 1 265 . 1 1 23 23 ILE HB H 1 1.852 0.035 . 1 . . . . 23 ILE HB . 16001 1 266 . 1 1 23 23 ILE HD11 H 1 0.953 0.035 . 1 . . . . 23 ILE HD1 . 16001 1 267 . 1 1 23 23 ILE HD12 H 1 0.953 0.035 . 1 . . . . 23 ILE HD1 . 16001 1 268 . 1 1 23 23 ILE HD13 H 1 0.953 0.035 . 1 . . . . 23 ILE HD1 . 16001 1 269 . 1 1 23 23 ILE HG12 H 1 1.258 0.035 . 2 . . . . 23 ILE HG12 . 16001 1 270 . 1 1 23 23 ILE HG13 H 1 1.511 0.035 . 2 . . . . 23 ILE HG13 . 16001 1 271 . 1 1 23 23 ILE HG21 H 1 0.958 0.035 . 1 . . . . 23 ILE HG2 . 16001 1 272 . 1 1 23 23 ILE HG22 H 1 0.958 0.035 . 1 . . . . 23 ILE HG2 . 16001 1 273 . 1 1 23 23 ILE HG23 H 1 0.958 0.035 . 1 . . . . 23 ILE HG2 . 16001 1 274 . 1 1 23 23 ILE C C 13 176.441 0.400 . 1 . . . . 23 ILE C . 16001 1 275 . 1 1 23 23 ILE CA C 13 63.650 0.400 . 1 . . . . 23 ILE CA . 16001 1 276 . 1 1 23 23 ILE CB C 13 37.741 0.400 . 1 . . . . 23 ILE CB . 16001 1 277 . 1 1 23 23 ILE CD1 C 13 13.820 0.400 . 1 . . . . 23 ILE CD1 . 16001 1 278 . 1 1 23 23 ILE CG1 C 13 29.547 0.400 . 1 . . . . 23 ILE CG1 . 16001 1 279 . 1 1 23 23 ILE CG2 C 13 17.319 0.400 . 1 . . . . 23 ILE CG2 . 16001 1 280 . 1 1 23 23 ILE N N 15 124.815 0.400 . 1 . . . . 23 ILE N . 16001 1 281 . 1 1 24 24 ALA H H 1 8.543 0.035 . 1 . . . . 24 ALA H . 16001 1 282 . 1 1 24 24 ALA HA H 1 3.917 0.035 . 1 . . . . 24 ALA HA . 16001 1 283 . 1 1 24 24 ALA HB1 H 1 1.449 0.035 . 1 . . . . 24 ALA HB1 . 16001 1 284 . 1 1 24 24 ALA HB2 H 1 1.449 0.035 . 1 . . . . 24 ALA HB1 . 16001 1 285 . 1 1 24 24 ALA HB3 H 1 1.449 0.035 . 1 . . . . 24 ALA HB1 . 16001 1 286 . 1 1 24 24 ALA C C 13 180.227 0.400 . 1 . . . . 24 ALA C . 16001 1 287 . 1 1 24 24 ALA CA C 13 55.413 0.400 . 1 . . . . 24 ALA CA . 16001 1 288 . 1 1 24 24 ALA CB C 13 17.760 0.400 . 1 . . . . 24 ALA CB . 16001 1 289 . 1 1 24 24 ALA N N 15 123.943 0.400 . 1 . . . . 24 ALA N . 16001 1 290 . 1 1 25 25 SER H H 1 7.844 0.035 . 1 . . . . 25 SER H . 16001 1 291 . 1 1 25 25 SER HA H 1 4.246 0.035 . 1 . . . . 25 SER HA . 16001 1 292 . 1 1 25 25 SER HB3 H 1 3.892 0.035 . 2 . . . . 25 SER HB3 . 16001 1 293 . 1 1 25 25 SER C C 13 176.667 0.400 . 1 . . . . 25 SER C . 16001 1 294 . 1 1 25 25 SER CA C 13 61.238 0.400 . 1 . . . . 25 SER CA . 16001 1 295 . 1 1 25 25 SER CB C 13 62.402 0.400 . 1 . . . . 25 SER CB . 16001 1 296 . 1 1 25 25 SER N N 15 114.143 0.400 . 1 . . . . 25 SER N . 16001 1 297 . 1 1 26 26 VAL H H 1 7.086 0.035 . 1 . . . . 26 VAL H . 16001 1 298 . 1 1 26 26 VAL HA H 1 3.198 0.035 . 1 . . . . 26 VAL HA . 16001 1 299 . 1 1 26 26 VAL HB H 1 2.177 0.035 . 1 . . . . 26 VAL HB . 16001 1 300 . 1 1 26 26 VAL HG11 H 1 1.083 0.035 . 2 . . . . 26 VAL HG1 . 16001 1 301 . 1 1 26 26 VAL HG12 H 1 1.083 0.035 . 2 . . . . 26 VAL HG1 . 16001 1 302 . 1 1 26 26 VAL HG13 H 1 1.083 0.035 . 2 . . . . 26 VAL HG1 . 16001 1 303 . 1 1 26 26 VAL HG21 H 1 1.155 0.035 . 2 . . . . 26 VAL HG2 . 16001 1 304 . 1 1 26 26 VAL HG22 H 1 1.155 0.035 . 2 . . . . 26 VAL HG2 . 16001 1 305 . 1 1 26 26 VAL HG23 H 1 1.155 0.035 . 2 . . . . 26 VAL HG2 . 16001 1 306 . 1 1 26 26 VAL C C 13 176.670 0.400 . 1 . . . . 26 VAL C . 16001 1 307 . 1 1 26 26 VAL CA C 13 64.809 0.400 . 1 . . . . 26 VAL CA . 16001 1 308 . 1 1 26 26 VAL CB C 13 31.274 0.400 . 1 . . . . 26 VAL CB . 16001 1 309 . 1 1 26 26 VAL CG1 C 13 22.179 0.400 . 1 . . . . 26 VAL CG1 . 16001 1 310 . 1 1 26 26 VAL CG2 C 13 22.917 0.400 . 1 . . . . 26 VAL CG2 . 16001 1 311 . 1 1 26 26 VAL N N 15 122.369 0.400 . 1 . . . . 26 VAL N . 16001 1 312 . 1 1 27 27 ALA H H 1 8.043 0.035 . 1 . . . . 27 ALA H . 16001 1 313 . 1 1 27 27 ALA HA H 1 3.775 0.035 . 1 . . . . 27 ALA HA . 16001 1 314 . 1 1 27 27 ALA HB1 H 1 1.371 0.035 . 1 . . . . 27 ALA HB1 . 16001 1 315 . 1 1 27 27 ALA HB2 H 1 1.371 0.035 . 1 . . . . 27 ALA HB1 . 16001 1 316 . 1 1 27 27 ALA HB3 H 1 1.371 0.035 . 1 . . . . 27 ALA HB1 . 16001 1 317 . 1 1 27 27 ALA C C 13 178.948 0.400 . 1 . . . . 27 ALA C . 16001 1 318 . 1 1 27 27 ALA CA C 13 55.507 0.400 . 1 . . . . 27 ALA CA . 16001 1 319 . 1 1 27 27 ALA CB C 13 17.412 0.400 . 1 . . . . 27 ALA CB . 16001 1 320 . 1 1 27 27 ALA N N 15 122.045 0.400 . 1 . . . . 27 ALA N . 16001 1 321 . 1 1 28 28 GLN H H 1 8.089 0.035 . 1 . . . . 28 GLN H . 16001 1 322 . 1 1 28 28 GLN HA H 1 4.053 0.035 . 1 . . . . 28 GLN HA . 16001 1 323 . 1 1 28 28 GLN HB2 H 1 2.084 0.035 . 2 . . . . 28 GLN HB2 . 16001 1 324 . 1 1 28 28 GLN HB3 H 1 2.176 0.035 . 2 . . . . 28 GLN HB3 . 16001 1 325 . 1 1 28 28 GLN HE21 H 1 7.447 0.035 . 2 . . . . 28 GLN HE21 . 16001 1 326 . 1 1 28 28 GLN HE22 H 1 6.822 0.035 . 2 . . . . 28 GLN HE22 . 16001 1 327 . 1 1 28 28 GLN HG2 H 1 2.401 0.035 . 2 . . . . 28 GLN HG2 . 16001 1 328 . 1 1 28 28 GLN HG3 H 1 2.505 0.035 . 2 . . . . 28 GLN HG3 . 16001 1 329 . 1 1 28 28 GLN C C 13 179.289 0.400 . 1 . . . . 28 GLN C . 16001 1 330 . 1 1 28 28 GLN CA C 13 58.625 0.400 . 1 . . . . 28 GLN CA . 16001 1 331 . 1 1 28 28 GLN CB C 13 28.155 0.400 . 1 . . . . 28 GLN CB . 16001 1 332 . 1 1 28 28 GLN CD C 13 180.155 0.400 . 1 . . . . 28 GLN CD . 16001 1 333 . 1 1 28 28 GLN CG C 13 33.714 0.400 . 1 . . . . 28 GLN CG . 16001 1 334 . 1 1 28 28 GLN N N 15 116.168 0.400 . 1 . . . . 28 GLN N . 16001 1 335 . 1 1 28 28 GLN NE2 N 15 111.482 0.400 . 1 . . . . 28 GLN NE2 . 16001 1 336 . 1 1 29 29 HIS H H 1 7.454 0.035 . 1 . . . . 29 HIS H . 16001 1 337 . 1 1 29 29 HIS HA H 1 4.209 0.035 . 1 . . . . 29 HIS HA . 16001 1 338 . 1 1 29 29 HIS HB2 H 1 2.638 0.035 . 2 . . . . 29 HIS HB2 . 16001 1 339 . 1 1 29 29 HIS HB3 H 1 3.103 0.035 . 2 . . . . 29 HIS HB3 . 16001 1 340 . 1 1 29 29 HIS HD2 H 1 6.649 0.035 . 1 . . . . 29 HIS HD2 . 16001 1 341 . 1 1 29 29 HIS HE1 H 1 8.703 0.035 . 1 . . . . 29 HIS HE1 . 16001 1 342 . 1 1 29 29 HIS C C 13 175.895 0.400 . 1 . . . . 29 HIS C . 16001 1 343 . 1 1 29 29 HIS CA C 13 59.132 0.400 . 1 . . . . 29 HIS CA . 16001 1 344 . 1 1 29 29 HIS CB C 13 28.947 0.400 . 1 . . . . 29 HIS CB . 16001 1 345 . 1 1 29 29 HIS CD2 C 13 119.052 0.400 . 1 . . . . 29 HIS CD2 . 16001 1 346 . 1 1 29 29 HIS CE1 C 13 137.719 0.400 . 1 . . . . 29 HIS CE1 . 16001 1 347 . 1 1 29 29 HIS N N 15 118.117 0.400 . 1 . . . . 29 HIS N . 16001 1 348 . 1 1 30 30 VAL H H 1 7.309 0.035 . 1 . . . . 30 VAL H . 16001 1 349 . 1 1 30 30 VAL HA H 1 4.441 0.035 . 1 . . . . 30 VAL HA . 16001 1 350 . 1 1 30 30 VAL HB H 1 2.562 0.035 . 1 . . . . 30 VAL HB . 16001 1 351 . 1 1 30 30 VAL HG11 H 1 1.046 0.035 . 2 . . . . 30 VAL HG1 . 16001 1 352 . 1 1 30 30 VAL HG12 H 1 1.046 0.035 . 2 . . . . 30 VAL HG1 . 16001 1 353 . 1 1 30 30 VAL HG13 H 1 1.046 0.035 . 2 . . . . 30 VAL HG1 . 16001 1 354 . 1 1 30 30 VAL HG21 H 1 0.991 0.035 . 2 . . . . 30 VAL HG2 . 16001 1 355 . 1 1 30 30 VAL HG22 H 1 0.991 0.035 . 2 . . . . 30 VAL HG2 . 16001 1 356 . 1 1 30 30 VAL HG23 H 1 0.991 0.035 . 2 . . . . 30 VAL HG2 . 16001 1 357 . 1 1 30 30 VAL C C 13 173.598 0.400 . 1 . . . . 30 VAL C . 16001 1 358 . 1 1 30 30 VAL CA C 13 59.948 0.400 . 1 . . . . 30 VAL CA . 16001 1 359 . 1 1 30 30 VAL CB C 13 31.067 0.400 . 1 . . . . 30 VAL CB . 16001 1 360 . 1 1 30 30 VAL CG1 C 13 21.623 0.400 . 1 . . . . 30 VAL CG1 . 16001 1 361 . 1 1 30 30 VAL CG2 C 13 19.268 0.400 . 1 . . . . 30 VAL CG2 . 16001 1 362 . 1 1 30 30 VAL N N 15 106.791 0.400 . 1 . . . . 30 VAL N . 16001 1 363 . 1 1 31 31 CYS H H 1 7.837 0.035 . 1 . . . . 31 CYS H . 16001 1 364 . 1 1 31 31 CYS HA H 1 3.929 0.035 . 1 . . . . 31 CYS HA . 16001 1 365 . 1 1 31 31 CYS HB2 H 1 3.086 0.035 . 2 . . . . 31 CYS HB2 . 16001 1 366 . 1 1 31 31 CYS HB3 H 1 3.086 0.035 . 2 . . . . 31 CYS HB3 . 16001 1 367 . 1 1 31 31 CYS C C 13 173.679 0.400 . 1 . . . . 31 CYS C . 16001 1 368 . 1 1 31 31 CYS CA C 13 59.814 0.400 . 1 . . . . 31 CYS CA . 16001 1 369 . 1 1 31 31 CYS CB C 13 24.898 0.400 . 1 . . . . 31 CYS CB . 16001 1 370 . 1 1 31 31 CYS N N 15 116.363 0.400 . 1 . . . . 31 CYS N . 16001 1 371 . 1 1 32 32 LEU H H 1 8.061 0.035 . 1 . . . . 32 LEU H . 16001 1 372 . 1 1 32 32 LEU HA H 1 4.871 0.035 . 1 . . . . 32 LEU HA . 16001 1 373 . 1 1 32 32 LEU HB2 H 1 1.351 0.035 . 2 . . . . 32 LEU HB2 . 16001 1 374 . 1 1 32 32 LEU HB3 H 1 1.523 0.035 . 2 . . . . 32 LEU HB3 . 16001 1 375 . 1 1 32 32 LEU HD11 H 1 0.738 0.035 . 2 . . . . 32 LEU HD1 . 16001 1 376 . 1 1 32 32 LEU HD12 H 1 0.738 0.035 . 2 . . . . 32 LEU HD1 . 16001 1 377 . 1 1 32 32 LEU HD13 H 1 0.738 0.035 . 2 . . . . 32 LEU HD1 . 16001 1 378 . 1 1 32 32 LEU HD21 H 1 0.997 0.035 . 2 . . . . 32 LEU HD2 . 16001 1 379 . 1 1 32 32 LEU HD22 H 1 0.997 0.035 . 2 . . . . 32 LEU HD2 . 16001 1 380 . 1 1 32 32 LEU HD23 H 1 0.997 0.035 . 2 . . . . 32 LEU HD2 . 16001 1 381 . 1 1 32 32 LEU HG H 1 1.702 0.035 . 1 . . . . 32 LEU HG . 16001 1 382 . 1 1 32 32 LEU C C 13 176.243 0.400 . 1 . . . . 32 LEU C . 16001 1 383 . 1 1 32 32 LEU CA C 13 52.555 0.400 . 1 . . . . 32 LEU CA . 16001 1 384 . 1 1 32 32 LEU CB C 13 48.238 0.400 . 1 . . . . 32 LEU CB . 16001 1 385 . 1 1 32 32 LEU CD1 C 13 26.598 0.400 . 1 . . . . 32 LEU CD1 . 16001 1 386 . 1 1 32 32 LEU CD2 C 13 23.544 0.400 . 1 . . . . 32 LEU CD2 . 16001 1 387 . 1 1 32 32 LEU CG C 13 25.942 0.400 . 1 . . . . 32 LEU CG . 16001 1 388 . 1 1 32 32 LEU N N 15 118.159 0.400 . 1 . . . . 32 LEU N . 16001 1 389 . 1 1 33 33 SER H H 1 8.221 0.035 . 1 . . . . 33 SER H . 16001 1 390 . 1 1 33 33 SER N N 15 116.259 0.400 . 1 . . . . 33 SER N . 16001 1 391 . 1 1 34 34 PRO HA H 1 3.951 0.035 . 1 . . . . 34 PRO HA . 16001 1 392 . 1 1 34 34 PRO HB2 H 1 2.113 0.035 . 2 . . . . 34 PRO HB2 . 16001 1 393 . 1 1 34 34 PRO HB3 H 1 2.165 0.035 . 2 . . . . 34 PRO HB3 . 16001 1 394 . 1 1 34 34 PRO HD2 H 1 3.891 0.035 . 2 . . . . 34 PRO HD2 . 16001 1 395 . 1 1 34 34 PRO HD3 H 1 4.018 0.035 . 2 . . . . 34 PRO HD3 . 16001 1 396 . 1 1 34 34 PRO HG2 H 1 1.817 0.035 . 2 . . . . 34 PRO HG2 . 16001 1 397 . 1 1 34 34 PRO HG3 H 1 2.385 0.035 . 2 . . . . 34 PRO HG3 . 16001 1 398 . 1 1 34 34 PRO C C 13 178.473 0.400 . 1 . . . . 34 PRO C . 16001 1 399 . 1 1 34 34 PRO CA C 13 66.404 0.400 . 1 . . . . 34 PRO CA . 16001 1 400 . 1 1 34 34 PRO CB C 13 31.712 0.400 . 1 . . . . 34 PRO CB . 16001 1 401 . 1 1 34 34 PRO CD C 13 49.964 0.400 . 1 . . . . 34 PRO CD . 16001 1 402 . 1 1 34 34 PRO CG C 13 28.155 0.400 . 1 . . . . 34 PRO CG . 16001 1 403 . 1 1 35 35 SER H H 1 8.343 0.035 . 1 . . . . 35 SER H . 16001 1 404 . 1 1 35 35 SER HA H 1 4.192 0.035 . 1 . . . . 35 SER HA . 16001 1 405 . 1 1 35 35 SER HB3 H 1 3.862 0.035 . 2 . . . . 35 SER HB3 . 16001 1 406 . 1 1 35 35 SER C C 13 177.361 0.400 . 1 . . . . 35 SER C . 16001 1 407 . 1 1 35 35 SER CA C 13 61.358 0.400 . 1 . . . . 35 SER CA . 16001 1 408 . 1 1 35 35 SER CB C 13 62.140 0.400 . 1 . . . . 35 SER CB . 16001 1 409 . 1 1 35 35 SER N N 15 111.653 0.400 . 1 . . . . 35 SER N . 16001 1 410 . 1 1 36 36 ARG H H 1 7.868 0.035 . 1 . . . . 36 ARG H . 16001 1 411 . 1 1 36 36 ARG HA H 1 4.243 0.035 . 1 . . . . 36 ARG HA . 16001 1 412 . 1 1 36 36 ARG HB2 H 1 1.993 0.035 . 2 . . . . 36 ARG HB2 . 16001 1 413 . 1 1 36 36 ARG HB3 H 1 1.993 0.035 . 2 . . . . 36 ARG HB3 . 16001 1 414 . 1 1 36 36 ARG HD2 H 1 3.289 0.035 . 2 . . . . 36 ARG HD2 . 16001 1 415 . 1 1 36 36 ARG HD3 H 1 3.386 0.035 . 2 . . . . 36 ARG HD3 . 16001 1 416 . 1 1 36 36 ARG HG2 H 1 1.767 0.035 . 2 . . . . 36 ARG HG2 . 16001 1 417 . 1 1 36 36 ARG HG3 H 1 1.808 0.035 . 2 . . . . 36 ARG HG3 . 16001 1 418 . 1 1 36 36 ARG C C 13 178.850 0.400 . 1 . . . . 36 ARG C . 16001 1 419 . 1 1 36 36 ARG CA C 13 58.714 0.400 . 1 . . . . 36 ARG CA . 16001 1 420 . 1 1 36 36 ARG CB C 13 29.804 0.400 . 1 . . . . 36 ARG CB . 16001 1 421 . 1 1 36 36 ARG CD C 13 42.942 0.400 . 1 . . . . 36 ARG CD . 16001 1 422 . 1 1 36 36 ARG CG C 13 27.408 0.400 . 1 . . . . 36 ARG CG . 16001 1 423 . 1 1 36 36 ARG N N 15 124.303 0.400 . 1 . . . . 36 ARG N . 16001 1 424 . 1 1 37 37 LEU H H 1 8.593 0.035 . 1 . . . . 37 LEU H . 16001 1 425 . 1 1 37 37 LEU HA H 1 4.052 0.035 . 1 . . . . 37 LEU HA . 16001 1 426 . 1 1 37 37 LEU HB2 H 1 1.310 0.035 . 2 . . . . 37 LEU HB2 . 16001 1 427 . 1 1 37 37 LEU HB3 H 1 1.949 0.035 . 2 . . . . 37 LEU HB3 . 16001 1 428 . 1 1 37 37 LEU HD11 H 1 0.808 0.035 . 2 . . . . 37 LEU HD1 . 16001 1 429 . 1 1 37 37 LEU HD12 H 1 0.808 0.035 . 2 . . . . 37 LEU HD1 . 16001 1 430 . 1 1 37 37 LEU HD13 H 1 0.808 0.035 . 2 . . . . 37 LEU HD1 . 16001 1 431 . 1 1 37 37 LEU HD21 H 1 0.942 0.035 . 2 . . . . 37 LEU HD2 . 16001 1 432 . 1 1 37 37 LEU HD22 H 1 0.942 0.035 . 2 . . . . 37 LEU HD2 . 16001 1 433 . 1 1 37 37 LEU HD23 H 1 0.942 0.035 . 2 . . . . 37 LEU HD2 . 16001 1 434 . 1 1 37 37 LEU HG H 1 1.513 0.035 . 1 . . . . 37 LEU HG . 16001 1 435 . 1 1 37 37 LEU C C 13 177.894 0.400 . 1 . . . . 37 LEU C . 16001 1 436 . 1 1 37 37 LEU CA C 13 58.289 0.400 . 1 . . . . 37 LEU CA . 16001 1 437 . 1 1 37 37 LEU CB C 13 40.775 0.400 . 1 . . . . 37 LEU CB . 16001 1 438 . 1 1 37 37 LEU CD1 C 13 26.181 0.400 . 1 . . . . 37 LEU CD1 . 16001 1 439 . 1 1 37 37 LEU CD2 C 13 22.998 0.400 . 1 . . . . 37 LEU CD2 . 16001 1 440 . 1 1 37 37 LEU CG C 13 27.171 0.400 . 1 . . . . 37 LEU CG . 16001 1 441 . 1 1 37 37 LEU N N 15 119.319 0.400 . 1 . . . . 37 LEU N . 16001 1 442 . 1 1 38 38 SER H H 1 8.478 0.035 . 1 . . . . 38 SER H . 16001 1 443 . 1 1 38 38 SER HA H 1 4.066 0.035 . 1 . . . . 38 SER HA . 16001 1 444 . 1 1 38 38 SER C C 13 176.577 0.400 . 1 . . . . 38 SER C . 16001 1 445 . 1 1 38 38 SER CA C 13 62.824 0.400 . 1 . . . . 38 SER CA . 16001 1 446 . 1 1 38 38 SER N N 15 113.612 0.400 . 1 . . . . 38 SER N . 16001 1 447 . 1 1 39 39 HIS H H 1 7.983 0.035 . 1 . . . . 39 HIS H . 16001 1 448 . 1 1 39 39 HIS HA H 1 4.403 0.035 . 1 . . . . 39 HIS HA . 16001 1 449 . 1 1 39 39 HIS HB2 H 1 3.388 0.035 . 2 . . . . 39 HIS HB2 . 16001 1 450 . 1 1 39 39 HIS HB3 H 1 3.388 0.035 . 2 . . . . 39 HIS HB3 . 16001 1 451 . 1 1 39 39 HIS HD2 H 1 7.228 0.035 . 1 . . . . 39 HIS HD2 . 16001 1 452 . 1 1 39 39 HIS HE1 H 1 8.462 0.035 . 1 . . . . 39 HIS HE1 . 16001 1 453 . 1 1 39 39 HIS C C 13 177.138 0.400 . 1 . . . . 39 HIS C . 16001 1 454 . 1 1 39 39 HIS CA C 13 59.316 0.400 . 1 . . . . 39 HIS CA . 16001 1 455 . 1 1 39 39 HIS CB C 13 29.226 0.400 . 1 . . . . 39 HIS CB . 16001 1 456 . 1 1 39 39 HIS CD2 C 13 119.891 0.400 . 1 . . . . 39 HIS CD2 . 16001 1 457 . 1 1 39 39 HIS CE1 C 13 136.980 0.400 . 1 . . . . 39 HIS CE1 . 16001 1 458 . 1 1 39 39 HIS N N 15 119.938 0.400 . 1 . . . . 39 HIS N . 16001 1 459 . 1 1 40 40 LEU H H 1 8.432 0.035 . 1 . . . . 40 LEU H . 16001 1 460 . 1 1 40 40 LEU HA H 1 4.045 0.035 . 1 . . . . 40 LEU HA . 16001 1 461 . 1 1 40 40 LEU HB2 H 1 1.863 0.035 . 2 . . . . 40 LEU HB2 . 16001 1 462 . 1 1 40 40 LEU HB3 H 1 1.493 0.035 . 2 . . . . 40 LEU HB3 . 16001 1 463 . 1 1 40 40 LEU HD11 H 1 0.887 0.035 . 2 . . . . 40 LEU HD1 . 16001 1 464 . 1 1 40 40 LEU HD12 H 1 0.887 0.035 . 2 . . . . 40 LEU HD1 . 16001 1 465 . 1 1 40 40 LEU HD13 H 1 0.887 0.035 . 2 . . . . 40 LEU HD1 . 16001 1 466 . 1 1 40 40 LEU HD21 H 1 0.902 0.035 . 2 . . . . 40 LEU HD2 . 16001 1 467 . 1 1 40 40 LEU HD22 H 1 0.902 0.035 . 2 . . . . 40 LEU HD2 . 16001 1 468 . 1 1 40 40 LEU HD23 H 1 0.902 0.035 . 2 . . . . 40 LEU HD2 . 16001 1 469 . 1 1 40 40 LEU HG H 1 1.761 0.035 . 1 . . . . 40 LEU HG . 16001 1 470 . 1 1 40 40 LEU C C 13 178.876 0.400 . 1 . . . . 40 LEU C . 16001 1 471 . 1 1 40 40 LEU CA C 13 57.990 0.400 . 1 . . . . 40 LEU CA . 16001 1 472 . 1 1 40 40 LEU CB C 13 42.609 0.400 . 1 . . . . 40 LEU CB . 16001 1 473 . 1 1 40 40 LEU CD1 C 13 23.604 0.400 . 1 . . . . 40 LEU CD1 . 16001 1 474 . 1 1 40 40 LEU CD2 C 13 25.128 0.400 . 1 . . . . 40 LEU CD2 . 16001 1 475 . 1 1 40 40 LEU CG C 13 26.811 0.400 . 1 . . . . 40 LEU CG . 16001 1 476 . 1 1 40 40 LEU N N 15 120.053 0.400 . 1 . . . . 40 LEU N . 16001 1 477 . 1 1 41 41 PHE H H 1 8.937 0.035 . 1 . . . . 41 PHE H . 16001 1 478 . 1 1 41 41 PHE HA H 1 3.736 0.035 . 1 . . . . 41 PHE HA . 16001 1 479 . 1 1 41 41 PHE HB2 H 1 3.072 0.035 . 2 . . . . 41 PHE HB2 . 16001 1 480 . 1 1 41 41 PHE HB3 H 1 3.454 0.035 . 2 . . . . 41 PHE HB3 . 16001 1 481 . 1 1 41 41 PHE HD1 H 1 7.076 0.035 . 3 . . . . 41 PHE HD1 . 16001 1 482 . 1 1 41 41 PHE HD2 H 1 7.076 0.035 . 3 . . . . 41 PHE HD2 . 16001 1 483 . 1 1 41 41 PHE HE1 H 1 6.831 0.035 . 3 . . . . 41 PHE HE1 . 16001 1 484 . 1 1 41 41 PHE HE2 H 1 6.831 0.035 . 3 . . . . 41 PHE HE2 . 16001 1 485 . 1 1 41 41 PHE HZ H 1 6.032 0.035 . 1 . . . . 41 PHE HZ . 16001 1 486 . 1 1 41 41 PHE C C 13 178.022 0.400 . 1 . . . . 41 PHE C . 16001 1 487 . 1 1 41 41 PHE CA C 13 62.523 0.400 . 1 . . . . 41 PHE CA . 16001 1 488 . 1 1 41 41 PHE CB C 13 39.534 0.400 . 1 . . . . 41 PHE CB . 16001 1 489 . 1 1 41 41 PHE CD1 C 13 131.425 0.400 . 3 . . . . 41 PHE CD1 . 16001 1 490 . 1 1 41 41 PHE CD2 C 13 131.491 0.400 . 3 . . . . 41 PHE CD2 . 16001 1 491 . 1 1 41 41 PHE CE1 C 13 131.515 0.400 . 3 . . . . 41 PHE CE1 . 16001 1 492 . 1 1 41 41 PHE CE2 C 13 131.536 0.400 . 3 . . . . 41 PHE CE2 . 16001 1 493 . 1 1 41 41 PHE CZ C 13 129.331 0.400 . 1 . . . . 41 PHE CZ . 16001 1 494 . 1 1 41 41 PHE N N 15 120.491 0.400 . 1 . . . . 41 PHE N . 16001 1 495 . 1 1 42 42 ARG H H 1 8.009 0.035 . 1 . . . . 42 ARG H . 16001 1 496 . 1 1 42 42 ARG HA H 1 4.021 0.035 . 1 . . . . 42 ARG HA . 16001 1 497 . 1 1 42 42 ARG HB2 H 1 1.928 0.035 . 2 . . . . 42 ARG HB2 . 16001 1 498 . 1 1 42 42 ARG HB3 H 1 1.966 0.035 . 2 . . . . 42 ARG HB3 . 16001 1 499 . 1 1 42 42 ARG HD3 H 1 3.147 0.035 . 2 . . . . 42 ARG HD3 . 16001 1 500 . 1 1 42 42 ARG HG2 H 1 1.569 0.035 . 2 . . . . 42 ARG HG2 . 16001 1 501 . 1 1 42 42 ARG HG3 H 1 1.735 0.035 . 2 . . . . 42 ARG HG3 . 16001 1 502 . 1 1 42 42 ARG C C 13 179.850 0.400 . 1 . . . . 42 ARG C . 16001 1 503 . 1 1 42 42 ARG CA C 13 59.243 0.400 . 1 . . . . 42 ARG CA . 16001 1 504 . 1 1 42 42 ARG CB C 13 29.748 0.400 . 1 . . . . 42 ARG CB . 16001 1 505 . 1 1 42 42 ARG CD C 13 43.107 0.400 . 1 . . . . 42 ARG CD . 16001 1 506 . 1 1 42 42 ARG CG C 13 27.825 0.400 . 1 . . . . 42 ARG CG . 16001 1 507 . 1 1 42 42 ARG N N 15 117.688 0.400 . 1 . . . . 42 ARG N . 16001 1 508 . 1 1 43 43 GLN H H 1 8.286 0.035 . 1 . . . . 43 GLN H . 16001 1 509 . 1 1 43 43 GLN HA H 1 4.006 0.035 . 1 . . . . 43 GLN HA . 16001 1 510 . 1 1 43 43 GLN HB2 H 1 2.120 0.035 . 2 . . . . 43 GLN HB2 . 16001 1 511 . 1 1 43 43 GLN HB3 H 1 2.139 0.035 . 2 . . . . 43 GLN HB3 . 16001 1 512 . 1 1 43 43 GLN HE21 H 1 7.449 0.035 . 2 . . . . 43 GLN HE21 . 16001 1 513 . 1 1 43 43 GLN HE22 H 1 6.837 0.035 . 2 . . . . 43 GLN HE22 . 16001 1 514 . 1 1 43 43 GLN HG2 H 1 2.254 0.035 . 2 . . . . 43 GLN HG2 . 16001 1 515 . 1 1 43 43 GLN HG3 H 1 2.411 0.035 . 2 . . . . 43 GLN HG3 . 16001 1 516 . 1 1 43 43 GLN C C 13 177.917 0.400 . 1 . . . . 43 GLN C . 16001 1 517 . 1 1 43 43 GLN CA C 13 58.715 0.400 . 1 . . . . 43 GLN CA . 16001 1 518 . 1 1 43 43 GLN CB C 13 29.345 0.400 . 1 . . . . 43 GLN CB . 16001 1 519 . 1 1 43 43 GLN CD C 13 180.108 0.400 . 1 . . . . 43 GLN CD . 16001 1 520 . 1 1 43 43 GLN CG C 13 33.934 0.400 . 1 . . . . 43 GLN CG . 16001 1 521 . 1 1 43 43 GLN N N 15 118.179 0.400 . 1 . . . . 43 GLN N . 16001 1 522 . 1 1 43 43 GLN NE2 N 15 111.898 0.400 . 1 . . . . 43 GLN NE2 . 16001 1 523 . 1 1 44 44 GLN H H 1 8.296 0.035 . 1 . . . . 44 GLN H . 16001 1 524 . 1 1 44 44 GLN HA H 1 4.208 0.035 . 1 . . . . 44 GLN HA . 16001 1 525 . 1 1 44 44 GLN HB2 H 1 1.911 0.035 . 2 . . . . 44 GLN HB2 . 16001 1 526 . 1 1 44 44 GLN HB3 H 1 2.065 0.035 . 2 . . . . 44 GLN HB3 . 16001 1 527 . 1 1 44 44 GLN HE21 H 1 7.480 0.035 . 2 . . . . 44 GLN HE21 . 16001 1 528 . 1 1 44 44 GLN HE22 H 1 6.951 0.035 . 2 . . . . 44 GLN HE22 . 16001 1 529 . 1 1 44 44 GLN HG2 H 1 2.417 0.035 . 2 . . . . 44 GLN HG2 . 16001 1 530 . 1 1 44 44 GLN HG3 H 1 2.455 0.035 . 2 . . . . 44 GLN HG3 . 16001 1 531 . 1 1 44 44 GLN C C 13 177.314 0.400 . 1 . . . . 44 GLN C . 16001 1 532 . 1 1 44 44 GLN CA C 13 57.913 0.400 . 1 . . . . 44 GLN CA . 16001 1 533 . 1 1 44 44 GLN CB C 13 29.027 0.400 . 1 . . . . 44 GLN CB . 16001 1 534 . 1 1 44 44 GLN CD C 13 178.731 0.400 . 1 . . . . 44 GLN CD . 16001 1 535 . 1 1 44 44 GLN CG C 13 34.736 0.400 . 1 . . . . 44 GLN CG . 16001 1 536 . 1 1 44 44 GLN N N 15 114.928 0.400 . 1 . . . . 44 GLN N . 16001 1 537 . 1 1 44 44 GLN NE2 N 15 112.182 0.400 . 1 . . . . 44 GLN NE2 . 16001 1 538 . 1 1 45 45 LEU H H 1 8.463 0.035 . 1 . . . . 45 LEU H . 16001 1 539 . 1 1 45 45 LEU HA H 1 4.567 0.035 . 1 . . . . 45 LEU HA . 16001 1 540 . 1 1 45 45 LEU HB2 H 1 1.709 0.035 . 2 . . . . 45 LEU HB2 . 16001 1 541 . 1 1 45 45 LEU HB3 H 1 1.474 0.035 . 2 . . . . 45 LEU HB3 . 16001 1 542 . 1 1 45 45 LEU HD11 H 1 -0.174 0.035 . 2 . . . . 45 LEU HD1 . 16001 1 543 . 1 1 45 45 LEU HD12 H 1 -0.174 0.035 . 2 . . . . 45 LEU HD1 . 16001 1 544 . 1 1 45 45 LEU HD13 H 1 -0.174 0.035 . 2 . . . . 45 LEU HD1 . 16001 1 545 . 1 1 45 45 LEU HD21 H 1 0.529 0.035 . 2 . . . . 45 LEU HD2 . 16001 1 546 . 1 1 45 45 LEU HD22 H 1 0.529 0.035 . 2 . . . . 45 LEU HD2 . 16001 1 547 . 1 1 45 45 LEU HD23 H 1 0.529 0.035 . 2 . . . . 45 LEU HD2 . 16001 1 548 . 1 1 45 45 LEU HG H 1 0.999 0.035 . 1 . . . . 45 LEU HG . 16001 1 549 . 1 1 45 45 LEU C C 13 178.381 0.400 . 1 . . . . 45 LEU C . 16001 1 550 . 1 1 45 45 LEU CA C 13 54.564 0.400 . 1 . . . . 45 LEU CA . 16001 1 551 . 1 1 45 45 LEU CB C 13 43.031 0.400 . 1 . . . . 45 LEU CB . 16001 1 552 . 1 1 45 45 LEU CD1 C 13 25.068 0.400 . 1 . . . . 45 LEU CD1 . 16001 1 553 . 1 1 45 45 LEU CD2 C 13 23.061 0.400 . 1 . . . . 45 LEU CD2 . 16001 1 554 . 1 1 45 45 LEU CG C 13 27.599 0.400 . 1 . . . . 45 LEU CG . 16001 1 555 . 1 1 45 45 LEU N N 15 117.028 0.400 . 1 . . . . 45 LEU N . 16001 1 556 . 1 1 46 46 GLY H H 1 7.852 0.035 . 1 . . . . 46 GLY H . 16001 1 557 . 1 1 46 46 GLY HA2 H 1 4.005 0.035 . 2 . . . . 46 GLY HA2 . 16001 1 558 . 1 1 46 46 GLY HA3 H 1 4.167 0.035 . 2 . . . . 46 GLY HA3 . 16001 1 559 . 1 1 46 46 GLY C C 13 173.114 0.400 . 1 . . . . 46 GLY C . 16001 1 560 . 1 1 46 46 GLY CA C 13 46.080 0.400 . 1 . . . . 46 GLY CA . 16001 1 561 . 1 1 46 46 GLY N N 15 108.569 0.400 . 1 . . . . 46 GLY N . 16001 1 562 . 1 1 47 47 ILE H H 1 7.281 0.035 . 1 . . . . 47 ILE H . 16001 1 563 . 1 1 47 47 ILE HA H 1 4.735 0.035 . 1 . . . . 47 ILE HA . 16001 1 564 . 1 1 47 47 ILE HB H 1 2.064 0.035 . 1 . . . . 47 ILE HB . 16001 1 565 . 1 1 47 47 ILE HD11 H 1 1.100 0.035 . 1 . . . . 47 ILE HD1 . 16001 1 566 . 1 1 47 47 ILE HD12 H 1 1.100 0.035 . 1 . . . . 47 ILE HD1 . 16001 1 567 . 1 1 47 47 ILE HD13 H 1 1.100 0.035 . 1 . . . . 47 ILE HD1 . 16001 1 568 . 1 1 47 47 ILE HG12 H 1 1.450 0.035 . 2 . . . . 47 ILE HG12 . 16001 1 569 . 1 1 47 47 ILE HG13 H 1 1.762 0.035 . 2 . . . . 47 ILE HG13 . 16001 1 570 . 1 1 47 47 ILE HG21 H 1 1.027 0.035 . 1 . . . . 47 ILE HG2 . 16001 1 571 . 1 1 47 47 ILE HG22 H 1 1.027 0.035 . 1 . . . . 47 ILE HG2 . 16001 1 572 . 1 1 47 47 ILE HG23 H 1 1.027 0.035 . 1 . . . . 47 ILE HG2 . 16001 1 573 . 1 1 47 47 ILE C C 13 172.231 0.400 . 1 . . . . 47 ILE C . 16001 1 574 . 1 1 47 47 ILE CA C 13 59.240 0.400 . 1 . . . . 47 ILE CA . 16001 1 575 . 1 1 47 47 ILE CB C 13 42.470 0.400 . 1 . . . . 47 ILE CB . 16001 1 576 . 1 1 47 47 ILE CD1 C 13 17.581 0.400 . 1 . . . . 47 ILE CD1 . 16001 1 577 . 1 1 47 47 ILE CG1 C 13 26.658 0.400 . 1 . . . . 47 ILE CG1 . 16001 1 578 . 1 1 47 47 ILE CG2 C 13 14.133 0.400 . 1 . . . . 47 ILE CG2 . 16001 1 579 . 1 1 47 47 ILE N N 15 115.396 0.400 . 1 . . . . 47 ILE N . 16001 1 580 . 1 1 48 48 SER H H 1 8.298 0.035 . 1 . . . . 48 SER H . 16001 1 581 . 1 1 48 48 SER HA H 1 4.725 0.035 . 1 . . . . 48 SER HA . 16001 1 582 . 1 1 48 48 SER HB2 H 1 4.071 0.035 . 2 . . . . 48 SER HB2 . 16001 1 583 . 1 1 48 48 SER HB3 H 1 4.599 0.035 . 2 . . . . 48 SER HB3 . 16001 1 584 . 1 1 48 48 SER C C 13 174.600 0.400 . 1 . . . . 48 SER C . 16001 1 585 . 1 1 48 48 SER CA C 13 57.092 0.400 . 1 . . . . 48 SER CA . 16001 1 586 . 1 1 48 48 SER CB C 13 65.286 0.400 . 1 . . . . 48 SER CB . 16001 1 587 . 1 1 48 48 SER N N 15 115.685 0.400 . 1 . . . . 48 SER N . 16001 1 588 . 1 1 49 49 VAL H H 1 8.296 0.035 . 1 . . . . 49 VAL H . 16001 1 589 . 1 1 49 49 VAL HA H 1 3.081 0.035 . 1 . . . . 49 VAL HA . 16001 1 590 . 1 1 49 49 VAL HB H 1 1.813 0.035 . 1 . . . . 49 VAL HB . 16001 1 591 . 1 1 49 49 VAL HG11 H 1 0.180 0.035 . 2 . . . . 49 VAL HG1 . 16001 1 592 . 1 1 49 49 VAL HG12 H 1 0.180 0.035 . 2 . . . . 49 VAL HG1 . 16001 1 593 . 1 1 49 49 VAL HG13 H 1 0.180 0.035 . 2 . . . . 49 VAL HG1 . 16001 1 594 . 1 1 49 49 VAL HG21 H 1 0.709 0.035 . 2 . . . . 49 VAL HG2 . 16001 1 595 . 1 1 49 49 VAL HG22 H 1 0.709 0.035 . 2 . . . . 49 VAL HG2 . 16001 1 596 . 1 1 49 49 VAL HG23 H 1 0.709 0.035 . 2 . . . . 49 VAL HG2 . 16001 1 597 . 1 1 49 49 VAL C C 13 177.888 0.400 . 1 . . . . 49 VAL C . 16001 1 598 . 1 1 49 49 VAL CA C 13 65.881 0.400 . 1 . . . . 49 VAL CA . 16001 1 599 . 1 1 49 49 VAL CB C 13 31.149 0.400 . 1 . . . . 49 VAL CB . 16001 1 600 . 1 1 49 49 VAL CG1 C 13 21.107 0.400 . 1 . . . . 49 VAL CG1 . 16001 1 601 . 1 1 49 49 VAL CG2 C 13 21.373 0.400 . 1 . . . . 49 VAL CG2 . 16001 1 602 . 1 1 49 49 VAL N N 15 120.175 0.400 . 1 . . . . 49 VAL N . 16001 1 603 . 1 1 50 50 LEU H H 1 8.138 0.035 . 1 . . . . 50 LEU H . 16001 1 604 . 1 1 50 50 LEU HA H 1 4.011 0.035 . 1 . . . . 50 LEU HA . 16001 1 605 . 1 1 50 50 LEU HB2 H 1 1.639 0.035 . 2 . . . . 50 LEU HB2 . 16001 1 606 . 1 1 50 50 LEU HB3 H 1 1.805 0.035 . 2 . . . . 50 LEU HB3 . 16001 1 607 . 1 1 50 50 LEU HD11 H 1 1.051 0.035 . 2 . . . . 50 LEU HD1 . 16001 1 608 . 1 1 50 50 LEU HD12 H 1 1.051 0.035 . 2 . . . . 50 LEU HD1 . 16001 1 609 . 1 1 50 50 LEU HD13 H 1 1.051 0.035 . 2 . . . . 50 LEU HD1 . 16001 1 610 . 1 1 50 50 LEU HD21 H 1 0.997 0.035 . 2 . . . . 50 LEU HD2 . 16001 1 611 . 1 1 50 50 LEU HD22 H 1 0.997 0.035 . 2 . . . . 50 LEU HD2 . 16001 1 612 . 1 1 50 50 LEU HD23 H 1 0.997 0.035 . 2 . . . . 50 LEU HD2 . 16001 1 613 . 1 1 50 50 LEU HG H 1 1.637 0.035 . 1 . . . . 50 LEU HG . 16001 1 614 . 1 1 50 50 LEU C C 13 180.412 0.400 . 1 . . . . 50 LEU C . 16001 1 615 . 1 1 50 50 LEU CA C 13 57.962 0.400 . 1 . . . . 50 LEU CA . 16001 1 616 . 1 1 50 50 LEU CB C 13 41.224 0.400 . 1 . . . . 50 LEU CB . 16001 1 617 . 1 1 50 50 LEU CD1 C 13 24.879 0.400 . 1 . . . . 50 LEU CD1 . 16001 1 618 . 1 1 50 50 LEU CD2 C 13 23.568 0.400 . 1 . . . . 50 LEU CD2 . 16001 1 619 . 1 1 50 50 LEU CG C 13 27.809 0.400 . 1 . . . . 50 LEU CG . 16001 1 620 . 1 1 50 50 LEU N N 15 116.998 0.400 . 1 . . . . 50 LEU N . 16001 1 621 . 1 1 51 51 SER H H 1 8.087 0.035 . 1 . . . . 51 SER H . 16001 1 622 . 1 1 51 51 SER HA H 1 4.279 0.035 . 1 . . . . 51 SER HA . 16001 1 623 . 1 1 51 51 SER HB3 H 1 4.096 0.035 . 2 . . . . 51 SER HB3 . 16001 1 624 . 1 1 51 51 SER C C 13 176.081 0.400 . 1 . . . . 51 SER C . 16001 1 625 . 1 1 51 51 SER CA C 13 62.174 0.400 . 1 . . . . 51 SER CA . 16001 1 626 . 1 1 51 51 SER N N 15 117.207 0.400 . 1 . . . . 51 SER N . 16001 1 627 . 1 1 52 52 TRP H H 1 8.913 0.035 . 1 . . . . 52 TRP H . 16001 1 628 . 1 1 52 52 TRP HA H 1 4.067 0.035 . 1 . . . . 52 TRP HA . 16001 1 629 . 1 1 52 52 TRP HB2 H 1 3.498 0.035 . 2 . . . . 52 TRP HB2 . 16001 1 630 . 1 1 52 52 TRP HB3 H 1 3.728 0.035 . 2 . . . . 52 TRP HB3 . 16001 1 631 . 1 1 52 52 TRP HD1 H 1 7.365 0.035 . 1 . . . . 52 TRP HD1 . 16001 1 632 . 1 1 52 52 TRP HE1 H 1 10.427 0.035 . 1 . . . . 52 TRP HE1 . 16001 1 633 . 1 1 52 52 TRP HE3 H 1 7.414 0.035 . 1 . . . . 52 TRP HE3 . 16001 1 634 . 1 1 52 52 TRP HH2 H 1 7.225 0.035 . 1 . . . . 52 TRP HH2 . 16001 1 635 . 1 1 52 52 TRP HZ2 H 1 7.474 0.035 . 1 . . . . 52 TRP HZ2 . 16001 1 636 . 1 1 52 52 TRP HZ3 H 1 7.048 0.035 . 1 . . . . 52 TRP HZ3 . 16001 1 637 . 1 1 52 52 TRP C C 13 178.579 0.400 . 1 . . . . 52 TRP C . 16001 1 638 . 1 1 52 52 TRP CA C 13 63.288 0.400 . 1 . . . . 52 TRP CA . 16001 1 639 . 1 1 52 52 TRP CB C 13 29.159 0.400 . 1 . . . . 52 TRP CB . 16001 1 640 . 1 1 52 52 TRP CD1 C 13 127.023 0.400 . 1 . . . . 52 TRP CD1 . 16001 1 641 . 1 1 52 52 TRP CE3 C 13 119.421 0.400 . 1 . . . . 52 TRP CE3 . 16001 1 642 . 1 1 52 52 TRP CH2 C 13 124.468 0.400 . 1 . . . . 52 TRP CH2 . 16001 1 643 . 1 1 52 52 TRP CZ2 C 13 115.298 0.400 . 1 . . . . 52 TRP CZ2 . 16001 1 644 . 1 1 52 52 TRP CZ3 C 13 121.288 0.400 . 1 . . . . 52 TRP CZ3 . 16001 1 645 . 1 1 52 52 TRP N N 15 124.958 0.400 . 1 . . . . 52 TRP N . 16001 1 646 . 1 1 52 52 TRP NE1 N 15 130.955 0.400 . 1 . . . . 52 TRP NE1 . 16001 1 647 . 1 1 53 53 ARG H H 1 8.547 0.035 . 1 . . . . 53 ARG H . 16001 1 648 . 1 1 53 53 ARG HA H 1 3.578 0.035 . 1 . . . . 53 ARG HA . 16001 1 649 . 1 1 53 53 ARG HB3 H 1 1.535 0.035 . 2 . . . . 53 ARG HB3 . 16001 1 650 . 1 1 53 53 ARG HD2 H 1 2.090 0.035 . 2 . . . . 53 ARG HD2 . 16001 1 651 . 1 1 53 53 ARG HD3 H 1 2.541 0.035 . 2 . . . . 53 ARG HD3 . 16001 1 652 . 1 1 53 53 ARG HG2 H 1 1.175 0.035 . 2 . . . . 53 ARG HG2 . 16001 1 653 . 1 1 53 53 ARG HG3 H 1 1.308 0.035 . 2 . . . . 53 ARG HG3 . 16001 1 654 . 1 1 53 53 ARG C C 13 177.290 0.400 . 1 . . . . 53 ARG C . 16001 1 655 . 1 1 53 53 ARG CA C 13 60.443 0.400 . 1 . . . . 53 ARG CA . 16001 1 656 . 1 1 53 53 ARG CB C 13 30.001 0.400 . 1 . . . . 53 ARG CB . 16001 1 657 . 1 1 53 53 ARG CD C 13 42.899 0.400 . 1 . . . . 53 ARG CD . 16001 1 658 . 1 1 53 53 ARG CG C 13 28.433 0.400 . 1 . . . . 53 ARG CG . 16001 1 659 . 1 1 53 53 ARG N N 15 118.356 0.400 . 1 . . . . 53 ARG N . 16001 1 660 . 1 1 54 54 GLU H H 1 8.002 0.035 . 1 . . . . 54 GLU H . 16001 1 661 . 1 1 54 54 GLU HA H 1 4.016 0.035 . 1 . . . . 54 GLU HA . 16001 1 662 . 1 1 54 54 GLU HB2 H 1 2.192 0.035 . 2 . . . . 54 GLU HB2 . 16001 1 663 . 1 1 54 54 GLU HB3 H 1 2.254 0.035 . 2 . . . . 54 GLU HB3 . 16001 1 664 . 1 1 54 54 GLU HG2 H 1 2.304 0.035 . 2 . . . . 54 GLU HG2 . 16001 1 665 . 1 1 54 54 GLU HG3 H 1 2.347 0.035 . 2 . . . . 54 GLU HG3 . 16001 1 666 . 1 1 54 54 GLU C C 13 178.460 0.400 . 1 . . . . 54 GLU C . 16001 1 667 . 1 1 54 54 GLU CA C 13 59.982 0.400 . 1 . . . . 54 GLU CA . 16001 1 668 . 1 1 54 54 GLU CB C 13 29.759 0.400 . 1 . . . . 54 GLU CB . 16001 1 669 . 1 1 54 54 GLU CG C 13 36.670 0.400 . 1 . . . . 54 GLU CG . 16001 1 670 . 1 1 54 54 GLU N N 15 118.818 0.400 . 1 . . . . 54 GLU N . 16001 1 671 . 1 1 55 55 ASP H H 1 8.111 0.035 . 1 . . . . 55 ASP H . 16001 1 672 . 1 1 55 55 ASP HA H 1 4.289 0.035 . 1 . . . . 55 ASP HA . 16001 1 673 . 1 1 55 55 ASP HB2 H 1 2.454 0.035 . 2 . . . . 55 ASP HB2 . 16001 1 674 . 1 1 55 55 ASP HB3 H 1 2.673 0.035 . 2 . . . . 55 ASP HB3 . 16001 1 675 . 1 1 55 55 ASP C C 13 179.313 0.400 . 1 . . . . 55 ASP C . 16001 1 676 . 1 1 55 55 ASP CA C 13 57.131 0.400 . 1 . . . . 55 ASP CA . 16001 1 677 . 1 1 55 55 ASP CB C 13 40.227 0.400 . 1 . . . . 55 ASP CB . 16001 1 678 . 1 1 55 55 ASP N N 15 119.156 0.400 . 1 . . . . 55 ASP N . 16001 1 679 . 1 1 56 56 GLN H H 1 8.099 0.035 . 1 . . . . 56 GLN H . 16001 1 680 . 1 1 56 56 GLN HA H 1 3.781 0.035 . 1 . . . . 56 GLN HA . 16001 1 681 . 1 1 56 56 GLN HB2 H 1 1.535 0.035 . 2 . . . . 56 GLN HB2 . 16001 1 682 . 1 1 56 56 GLN HB3 H 1 1.829 0.035 . 2 . . . . 56 GLN HB3 . 16001 1 683 . 1 1 56 56 GLN HE21 H 1 6.565 0.035 . 2 . . . . 56 GLN HE21 . 16001 1 684 . 1 1 56 56 GLN HE22 H 1 6.727 0.035 . 2 . . . . 56 GLN HE22 . 16001 1 685 . 1 1 56 56 GLN HG2 H 1 1.521 0.035 . 2 . . . . 56 GLN HG2 . 16001 1 686 . 1 1 56 56 GLN HG3 H 1 1.521 0.035 . 2 . . . . 56 GLN HG3 . 16001 1 687 . 1 1 56 56 GLN C C 13 178.700 0.400 . 1 . . . . 56 GLN C . 16001 1 688 . 1 1 56 56 GLN CA C 13 57.487 0.400 . 1 . . . . 56 GLN CA . 16001 1 689 . 1 1 56 56 GLN CB C 13 27.430 0.400 . 1 . . . . 56 GLN CB . 16001 1 690 . 1 1 56 56 GLN CD C 13 179.334 0.400 . 1 . . . . 56 GLN CD . 16001 1 691 . 1 1 56 56 GLN CG C 13 32.328 0.400 . 1 . . . . 56 GLN CG . 16001 1 692 . 1 1 56 56 GLN N N 15 119.807 0.400 . 1 . . . . 56 GLN N . 16001 1 693 . 1 1 56 56 GLN NE2 N 15 113.889 0.400 . 1 . . . . 56 GLN NE2 . 16001 1 694 . 1 1 57 57 ARG H H 1 8.240 0.035 . 1 . . . . 57 ARG H . 16001 1 695 . 1 1 57 57 ARG HA H 1 3.898 0.035 . 1 . . . . 57 ARG HA . 16001 1 696 . 1 1 57 57 ARG HB2 H 1 2.307 0.035 . 2 . . . . 57 ARG HB2 . 16001 1 697 . 1 1 57 57 ARG HB3 H 1 1.926 0.035 . 2 . . . . 57 ARG HB3 . 16001 1 698 . 1 1 57 57 ARG HD2 H 1 2.815 0.035 . 2 . . . . 57 ARG HD2 . 16001 1 699 . 1 1 57 57 ARG HD3 H 1 3.042 0.035 . 2 . . . . 57 ARG HD3 . 16001 1 700 . 1 1 57 57 ARG HG2 H 1 1.586 0.035 . 2 . . . . 57 ARG HG2 . 16001 1 701 . 1 1 57 57 ARG HG3 H 1 2.142 0.035 . 2 . . . . 57 ARG HG3 . 16001 1 702 . 1 1 57 57 ARG C C 13 178.185 0.400 . 1 . . . . 57 ARG C . 16001 1 703 . 1 1 57 57 ARG CA C 13 60.671 0.400 . 1 . . . . 57 ARG CA . 16001 1 704 . 1 1 57 57 ARG CB C 13 31.221 0.400 . 1 . . . . 57 ARG CB . 16001 1 705 . 1 1 57 57 ARG CD C 13 44.960 0.400 . 1 . . . . 57 ARG CD . 16001 1 706 . 1 1 57 57 ARG CG C 13 28.502 0.400 . 1 . . . . 57 ARG CG . 16001 1 707 . 1 1 57 57 ARG N N 15 120.129 0.400 . 1 . . . . 57 ARG N . 16001 1 708 . 1 1 58 58 ILE H H 1 7.885 0.035 . 1 . . . . 58 ILE H . 16001 1 709 . 1 1 58 58 ILE HA H 1 3.978 0.035 . 1 . . . . 58 ILE HA . 16001 1 710 . 1 1 58 58 ILE HB H 1 2.284 0.035 . 1 . . . . 58 ILE HB . 16001 1 711 . 1 1 58 58 ILE HD11 H 1 0.775 0.035 . 1 . . . . 58 ILE HD1 . 16001 1 712 . 1 1 58 58 ILE HD12 H 1 0.775 0.035 . 1 . . . . 58 ILE HD1 . 16001 1 713 . 1 1 58 58 ILE HD13 H 1 0.775 0.035 . 1 . . . . 58 ILE HD1 . 16001 1 714 . 1 1 58 58 ILE HG12 H 1 1.565 0.035 . 2 . . . . 58 ILE HG12 . 16001 1 715 . 1 1 58 58 ILE HG13 H 1 2.017 0.035 . 2 . . . . 58 ILE HG13 . 16001 1 716 . 1 1 58 58 ILE HG21 H 1 0.599 0.035 . 1 . . . . 58 ILE HG2 . 16001 1 717 . 1 1 58 58 ILE HG22 H 1 0.599 0.035 . 1 . . . . 58 ILE HG2 . 16001 1 718 . 1 1 58 58 ILE HG23 H 1 0.599 0.035 . 1 . . . . 58 ILE HG2 . 16001 1 719 . 1 1 58 58 ILE C C 13 178.357 0.400 . 1 . . . . 58 ILE C . 16001 1 720 . 1 1 58 58 ILE CA C 13 61.684 0.400 . 1 . . . . 58 ILE CA . 16001 1 721 . 1 1 58 58 ILE CB C 13 34.538 0.400 . 1 . . . . 58 ILE CB . 16001 1 722 . 1 1 58 58 ILE CD1 C 13 8.408 0.400 . 1 . . . . 58 ILE CD1 . 16001 1 723 . 1 1 58 58 ILE CG1 C 13 26.813 0.400 . 1 . . . . 58 ILE CG1 . 16001 1 724 . 1 1 58 58 ILE CG2 C 13 17.805 0.400 . 1 . . . . 58 ILE CG2 . 16001 1 725 . 1 1 58 58 ILE N N 15 118.096 0.400 . 1 . . . . 58 ILE N . 16001 1 726 . 1 1 59 59 SER H H 1 8.563 0.035 . 1 . . . . 59 SER H . 16001 1 727 . 1 1 59 59 SER HA H 1 4.010 0.035 . 1 . . . . 59 SER HA . 16001 1 728 . 1 1 59 59 SER C C 13 177.731 0.400 . 1 . . . . 59 SER C . 16001 1 729 . 1 1 59 59 SER CA C 13 62.459 0.400 . 1 . . . . 59 SER CA . 16001 1 730 . 1 1 59 59 SER N N 15 117.208 0.400 . 1 . . . . 59 SER N . 16001 1 731 . 1 1 60 60 GLN H H 1 8.471 0.035 . 1 . . . . 60 GLN H . 16001 1 732 . 1 1 60 60 GLN HA H 1 4.228 0.035 . 1 . . . . 60 GLN HA . 16001 1 733 . 1 1 60 60 GLN HB2 H 1 2.147 0.035 . 2 . . . . 60 GLN HB2 . 16001 1 734 . 1 1 60 60 GLN HB3 H 1 2.038 0.035 . 2 . . . . 60 GLN HB3 . 16001 1 735 . 1 1 60 60 GLN HE21 H 1 7.183 0.035 . 2 . . . . 60 GLN HE21 . 16001 1 736 . 1 1 60 60 GLN HE22 H 1 6.785 0.035 . 2 . . . . 60 GLN HE22 . 16001 1 737 . 1 1 60 60 GLN HG2 H 1 2.249 0.035 . 2 . . . . 60 GLN HG2 . 16001 1 738 . 1 1 60 60 GLN HG3 H 1 2.397 0.035 . 2 . . . . 60 GLN HG3 . 16001 1 739 . 1 1 60 60 GLN C C 13 177.958 0.400 . 1 . . . . 60 GLN C . 16001 1 740 . 1 1 60 60 GLN CA C 13 58.233 0.400 . 1 . . . . 60 GLN CA . 16001 1 741 . 1 1 60 60 GLN CB C 13 27.288 0.400 . 1 . . . . 60 GLN CB . 16001 1 742 . 1 1 60 60 GLN CD C 13 178.737 0.400 . 1 . . . . 60 GLN CD . 16001 1 743 . 1 1 60 60 GLN CG C 13 33.070 0.400 . 1 . . . . 60 GLN CG . 16001 1 744 . 1 1 60 60 GLN N N 15 121.780 0.400 . 1 . . . . 60 GLN N . 16001 1 745 . 1 1 60 60 GLN NE2 N 15 109.951 0.400 . 1 . . . . 60 GLN NE2 . 16001 1 746 . 1 1 61 61 ALA H H 1 8.504 0.035 . 1 . . . . 61 ALA H . 16001 1 747 . 1 1 61 61 ALA HA H 1 3.947 0.035 . 1 . . . . 61 ALA HA . 16001 1 748 . 1 1 61 61 ALA HB1 H 1 1.809 0.035 . 1 . . . . 61 ALA HB1 . 16001 1 749 . 1 1 61 61 ALA HB2 H 1 1.809 0.035 . 1 . . . . 61 ALA HB1 . 16001 1 750 . 1 1 61 61 ALA HB3 H 1 1.809 0.035 . 1 . . . . 61 ALA HB1 . 16001 1 751 . 1 1 61 61 ALA C C 13 179.360 0.400 . 1 . . . . 61 ALA C . 16001 1 752 . 1 1 61 61 ALA CA C 13 55.413 0.400 . 1 . . . . 61 ALA CA . 16001 1 753 . 1 1 61 61 ALA CB C 13 18.124 0.400 . 1 . . . . 61 ALA CB . 16001 1 754 . 1 1 61 61 ALA N N 15 122.352 0.400 . 1 . . . . 61 ALA N . 16001 1 755 . 1 1 62 62 LYS H H 1 8.776 0.035 . 1 . . . . 62 LYS H . 16001 1 756 . 1 1 62 62 LYS HA H 1 3.722 0.035 . 1 . . . . 62 LYS HA . 16001 1 757 . 1 1 62 62 LYS HB2 H 1 2.040 0.035 . 2 . . . . 62 LYS HB2 . 16001 1 758 . 1 1 62 62 LYS HB3 H 1 2.070 0.035 . 2 . . . . 62 LYS HB3 . 16001 1 759 . 1 1 62 62 LYS HD2 H 1 1.527 0.035 . 2 . . . . 62 LYS HD2 . 16001 1 760 . 1 1 62 62 LYS HD3 H 1 1.527 0.035 . 2 . . . . 62 LYS HD3 . 16001 1 761 . 1 1 62 62 LYS HE2 H 1 2.581 0.035 . 2 . . . . 62 LYS HE2 . 16001 1 762 . 1 1 62 62 LYS HE3 H 1 2.656 0.035 . 2 . . . . 62 LYS HE3 . 16001 1 763 . 1 1 62 62 LYS HG2 H 1 1.653 0.035 . 2 . . . . 62 LYS HG2 . 16001 1 764 . 1 1 62 62 LYS HG3 H 1 1.680 0.035 . 2 . . . . 62 LYS HG3 . 16001 1 765 . 1 1 62 62 LYS C C 13 179.330 0.400 . 1 . . . . 62 LYS C . 16001 1 766 . 1 1 62 62 LYS CA C 13 60.632 0.400 . 1 . . . . 62 LYS CA . 16001 1 767 . 1 1 62 62 LYS CB C 13 32.580 0.400 . 1 . . . . 62 LYS CB . 16001 1 768 . 1 1 62 62 LYS CD C 13 29.966 0.400 . 1 . . . . 62 LYS CD . 16001 1 769 . 1 1 62 62 LYS CE C 13 41.447 0.400 . 1 . . . . 62 LYS CE . 16001 1 770 . 1 1 62 62 LYS CG C 13 25.744 0.400 . 1 . . . . 62 LYS CG . 16001 1 771 . 1 1 62 62 LYS N N 15 117.072 0.400 . 1 . . . . 62 LYS N . 16001 1 772 . 1 1 63 63 LEU H H 1 7.670 0.035 . 1 . . . . 63 LEU H . 16001 1 773 . 1 1 63 63 LEU HA H 1 4.233 0.035 . 1 . . . . 63 LEU HA . 16001 1 774 . 1 1 63 63 LEU HB2 H 1 1.784 0.035 . 2 . . . . 63 LEU HB2 . 16001 1 775 . 1 1 63 63 LEU HB3 H 1 2.009 0.035 . 2 . . . . 63 LEU HB3 . 16001 1 776 . 1 1 63 63 LEU HD11 H 1 0.938 0.035 . 2 . . . . 63 LEU HD1 . 16001 1 777 . 1 1 63 63 LEU HD12 H 1 0.938 0.035 . 2 . . . . 63 LEU HD1 . 16001 1 778 . 1 1 63 63 LEU HD13 H 1 0.938 0.035 . 2 . . . . 63 LEU HD1 . 16001 1 779 . 1 1 63 63 LEU HD21 H 1 0.982 0.035 . 2 . . . . 63 LEU HD2 . 16001 1 780 . 1 1 63 63 LEU HD22 H 1 0.982 0.035 . 2 . . . . 63 LEU HD2 . 16001 1 781 . 1 1 63 63 LEU HD23 H 1 0.982 0.035 . 2 . . . . 63 LEU HD2 . 16001 1 782 . 1 1 63 63 LEU HG H 1 1.561 0.035 . 1 . . . . 63 LEU HG . 16001 1 783 . 1 1 63 63 LEU C C 13 180.902 0.400 . 1 . . . . 63 LEU C . 16001 1 784 . 1 1 63 63 LEU CA C 13 58.446 0.400 . 1 . . . . 63 LEU CA . 16001 1 785 . 1 1 63 63 LEU CB C 13 41.598 0.400 . 1 . . . . 63 LEU CB . 16001 1 786 . 1 1 63 63 LEU CD1 C 13 24.773 0.400 . 1 . . . . 63 LEU CD1 . 16001 1 787 . 1 1 63 63 LEU CD2 C 13 24.280 0.400 . 1 . . . . 63 LEU CD2 . 16001 1 788 . 1 1 63 63 LEU CG C 13 27.097 0.400 . 1 . . . . 63 LEU CG . 16001 1 789 . 1 1 63 63 LEU N N 15 121.196 0.400 . 1 . . . . 63 LEU N . 16001 1 790 . 1 1 64 64 LEU H H 1 8.585 0.035 . 1 . . . . 64 LEU H . 16001 1 791 . 1 1 64 64 LEU HA H 1 4.088 0.035 . 1 . . . . 64 LEU HA . 16001 1 792 . 1 1 64 64 LEU HB2 H 1 1.450 0.035 . 2 . . . . 64 LEU HB2 . 16001 1 793 . 1 1 64 64 LEU HB3 H 1 2.028 0.035 . 2 . . . . 64 LEU HB3 . 16001 1 794 . 1 1 64 64 LEU HD11 H 1 0.927 0.035 . 2 . . . . 64 LEU HD1 . 16001 1 795 . 1 1 64 64 LEU HD12 H 1 0.927 0.035 . 2 . . . . 64 LEU HD1 . 16001 1 796 . 1 1 64 64 LEU HD13 H 1 0.927 0.035 . 2 . . . . 64 LEU HD1 . 16001 1 797 . 1 1 64 64 LEU HD21 H 1 0.859 0.035 . 2 . . . . 64 LEU HD2 . 16001 1 798 . 1 1 64 64 LEU HD22 H 1 0.859 0.035 . 2 . . . . 64 LEU HD2 . 16001 1 799 . 1 1 64 64 LEU HD23 H 1 0.859 0.035 . 2 . . . . 64 LEU HD2 . 16001 1 800 . 1 1 64 64 LEU HG H 1 1.965 0.035 . 1 . . . . 64 LEU HG . 16001 1 801 . 1 1 64 64 LEU C C 13 180.869 0.400 . 1 . . . . 64 LEU C . 16001 1 802 . 1 1 64 64 LEU CA C 13 57.782 0.400 . 1 . . . . 64 LEU CA . 16001 1 803 . 1 1 64 64 LEU CB C 13 42.760 0.400 . 1 . . . . 64 LEU CB . 16001 1 804 . 1 1 64 64 LEU CD1 C 13 25.513 0.400 . 1 . . . . 64 LEU CD1 . 16001 1 805 . 1 1 64 64 LEU CD2 C 13 21.723 0.400 . 1 . . . . 64 LEU CD2 . 16001 1 806 . 1 1 64 64 LEU CG C 13 27.093 0.400 . 1 . . . . 64 LEU CG . 16001 1 807 . 1 1 64 64 LEU N N 15 121.842 0.400 . 1 . . . . 64 LEU N . 16001 1 808 . 1 1 65 65 LEU H H 1 9.100 0.035 . 1 . . . . 65 LEU H . 16001 1 809 . 1 1 65 65 LEU HA H 1 4.346 0.035 . 1 . . . . 65 LEU HA . 16001 1 810 . 1 1 65 65 LEU HB2 H 1 1.431 0.035 . 2 . . . . 65 LEU HB2 . 16001 1 811 . 1 1 65 65 LEU HB3 H 1 2.406 0.035 . 2 . . . . 65 LEU HB3 . 16001 1 812 . 1 1 65 65 LEU HD11 H 1 0.525 0.035 . 2 . . . . 65 LEU HD1 . 16001 1 813 . 1 1 65 65 LEU HD12 H 1 0.525 0.035 . 2 . . . . 65 LEU HD1 . 16001 1 814 . 1 1 65 65 LEU HD13 H 1 0.525 0.035 . 2 . . . . 65 LEU HD1 . 16001 1 815 . 1 1 65 65 LEU HD21 H 1 0.823 0.035 . 2 . . . . 65 LEU HD2 . 16001 1 816 . 1 1 65 65 LEU HD22 H 1 0.823 0.035 . 2 . . . . 65 LEU HD2 . 16001 1 817 . 1 1 65 65 LEU HD23 H 1 0.823 0.035 . 2 . . . . 65 LEU HD2 . 16001 1 818 . 1 1 65 65 LEU HG H 1 2.003 0.035 . 1 . . . . 65 LEU HG . 16001 1 819 . 1 1 65 65 LEU C C 13 178.659 0.400 . 1 . . . . 65 LEU C . 16001 1 820 . 1 1 65 65 LEU CA C 13 57.408 0.400 . 1 . . . . 65 LEU CA . 16001 1 821 . 1 1 65 65 LEU CB C 13 43.013 0.400 . 1 . . . . 65 LEU CB . 16001 1 822 . 1 1 65 65 LEU CD1 C 13 27.520 0.400 . 1 . . . . 65 LEU CD1 . 16001 1 823 . 1 1 65 65 LEU CD2 C 13 23.114 0.400 . 1 . . . . 65 LEU CD2 . 16001 1 824 . 1 1 65 65 LEU CG C 13 27.730 0.400 . 1 . . . . 65 LEU CG . 16001 1 825 . 1 1 65 65 LEU N N 15 119.872 0.400 . 1 . . . . 65 LEU N . 16001 1 826 . 1 1 66 66 SER H H 1 8.303 0.035 . 1 . . . . 66 SER H . 16001 1 827 . 1 1 66 66 SER HA H 1 4.211 0.035 . 1 . . . . 66 SER HA . 16001 1 828 . 1 1 66 66 SER HB3 H 1 4.222 0.035 . 2 . . . . 66 SER HB3 . 16001 1 829 . 1 1 66 66 SER C C 13 176.580 0.400 . 1 . . . . 66 SER C . 16001 1 830 . 1 1 66 66 SER CA C 13 60.155 0.400 . 1 . . . . 66 SER CA . 16001 1 831 . 1 1 66 66 SER CB C 13 65.198 0.400 . 1 . . . . 66 SER CB . 16001 1 832 . 1 1 66 66 SER N N 15 110.490 0.400 . 1 . . . . 66 SER N . 16001 1 833 . 1 1 67 67 THR H H 1 7.901 0.035 . 1 . . . . 67 THR H . 16001 1 834 . 1 1 67 67 THR HA H 1 4.812 0.035 . 1 . . . . 67 THR HA . 16001 1 835 . 1 1 67 67 THR HB H 1 4.485 0.035 . 1 . . . . 67 THR HB . 16001 1 836 . 1 1 67 67 THR HG21 H 1 1.407 0.035 . 1 . . . . 67 THR HG2 . 16001 1 837 . 1 1 67 67 THR HG22 H 1 1.407 0.035 . 1 . . . . 67 THR HG2 . 16001 1 838 . 1 1 67 67 THR HG23 H 1 1.407 0.035 . 1 . . . . 67 THR HG2 . 16001 1 839 . 1 1 67 67 THR C C 13 174.240 0.400 . 1 . . . . 67 THR C . 16001 1 840 . 1 1 67 67 THR CA C 13 62.400 0.400 . 1 . . . . 67 THR CA . 16001 1 841 . 1 1 67 67 THR CB C 13 71.512 0.400 . 1 . . . . 67 THR CB . 16001 1 842 . 1 1 67 67 THR CG2 C 13 21.307 0.400 . 1 . . . . 67 THR CG2 . 16001 1 843 . 1 1 67 67 THR N N 15 108.414 0.400 . 1 . . . . 67 THR N . 16001 1 844 . 1 1 68 68 THR H H 1 7.507 0.035 . 1 . . . . 68 THR H . 16001 1 845 . 1 1 68 68 THR HA H 1 5.096 0.035 . 1 . . . . 68 THR HA . 16001 1 846 . 1 1 68 68 THR HB H 1 4.419 0.035 . 1 . . . . 68 THR HB . 16001 1 847 . 1 1 68 68 THR HG21 H 1 1.322 0.035 . 1 . . . . 68 THR HG2 . 16001 1 848 . 1 1 68 68 THR HG22 H 1 1.322 0.035 . 1 . . . . 68 THR HG2 . 16001 1 849 . 1 1 68 68 THR HG23 H 1 1.322 0.035 . 1 . . . . 68 THR HG2 . 16001 1 850 . 1 1 68 68 THR C C 13 174.263 0.400 . 1 . . . . 68 THR C . 16001 1 851 . 1 1 68 68 THR CA C 13 60.124 0.400 . 1 . . . . 68 THR CA . 16001 1 852 . 1 1 68 68 THR CB C 13 72.795 0.400 . 1 . . . . 68 THR CB . 16001 1 853 . 1 1 68 68 THR CG2 C 13 21.163 0.400 . 1 . . . . 68 THR CG2 . 16001 1 854 . 1 1 68 68 THR N N 15 111.673 0.400 . 1 . . . . 68 THR N . 16001 1 855 . 1 1 69 69 ARG H H 1 8.767 0.035 . 1 . . . . 69 ARG H . 16001 1 856 . 1 1 69 69 ARG HA H 1 4.422 0.035 . 1 . . . . 69 ARG HA . 16001 1 857 . 1 1 69 69 ARG HB2 H 1 1.605 0.035 . 2 . . . . 69 ARG HB2 . 16001 1 858 . 1 1 69 69 ARG HB3 H 1 2.183 0.035 . 2 . . . . 69 ARG HB3 . 16001 1 859 . 1 1 69 69 ARG HD2 H 1 3.193 0.035 . 2 . . . . 69 ARG HD2 . 16001 1 860 . 1 1 69 69 ARG HD3 H 1 3.193 0.035 . 2 . . . . 69 ARG HD3 . 16001 1 861 . 1 1 69 69 ARG HG2 H 1 1.615 0.035 . 2 . . . . 69 ARG HG2 . 16001 1 862 . 1 1 69 69 ARG HG3 H 1 1.711 0.035 . 2 . . . . 69 ARG HG3 . 16001 1 863 . 1 1 69 69 ARG C C 13 176.568 0.400 . 1 . . . . 69 ARG C . 16001 1 864 . 1 1 69 69 ARG CA C 13 53.692 0.400 . 1 . . . . 69 ARG CA . 16001 1 865 . 1 1 69 69 ARG CB C 13 28.814 0.400 . 1 . . . . 69 ARG CB . 16001 1 866 . 1 1 69 69 ARG CD C 13 42.780 0.400 . 1 . . . . 69 ARG CD . 16001 1 867 . 1 1 69 69 ARG CG C 13 26.833 0.400 . 1 . . . . 69 ARG CG . 16001 1 868 . 1 1 69 69 ARG N N 15 118.034 0.400 . 1 . . . . 69 ARG N . 16001 1 869 . 1 1 70 70 MET H H 1 7.996 0.035 . 1 . . . . 70 MET H . 16001 1 870 . 1 1 70 70 MET HA H 1 4.470 0.035 . 1 . . . . 70 MET HA . 16001 1 871 . 1 1 70 70 MET HB2 H 1 1.729 0.035 . 2 . . . . 70 MET HB2 . 16001 1 872 . 1 1 70 70 MET HB3 H 1 1.957 0.035 . 2 . . . . 70 MET HB3 . 16001 1 873 . 1 1 70 70 MET HE1 H 1 2.085 0.035 . 1 . . . . 70 MET HE1 . 16001 1 874 . 1 1 70 70 MET HE2 H 1 2.085 0.035 . 1 . . . . 70 MET HE1 . 16001 1 875 . 1 1 70 70 MET HE3 H 1 2.085 0.035 . 1 . . . . 70 MET HE1 . 16001 1 876 . 1 1 70 70 MET HG2 H 1 2.559 0.035 . 2 . . . . 70 MET HG2 . 16001 1 877 . 1 1 70 70 MET HG3 H 1 2.587 0.035 . 2 . . . . 70 MET HG3 . 16001 1 878 . 1 1 70 70 MET CA C 13 55.386 0.400 . 1 . . . . 70 MET CA . 16001 1 879 . 1 1 70 70 MET CB C 13 34.080 0.400 . 1 . . . . 70 MET CB . 16001 1 880 . 1 1 70 70 MET CE C 13 16.819 0.400 . 1 . . . . 70 MET CE . 16001 1 881 . 1 1 70 70 MET CG C 13 31.619 0.400 . 1 . . . . 70 MET CG . 16001 1 882 . 1 1 70 70 MET N N 15 122.491 0.400 . 1 . . . . 70 MET N . 16001 1 883 . 1 1 71 71 PRO HA H 1 4.574 0.035 . 1 . . . . 71 PRO HA . 16001 1 884 . 1 1 71 71 PRO HB2 H 1 2.593 0.035 . 2 . . . . 71 PRO HB2 . 16001 1 885 . 1 1 71 71 PRO HB3 H 1 1.967 0.035 . 2 . . . . 71 PRO HB3 . 16001 1 886 . 1 1 71 71 PRO HD2 H 1 4.098 0.035 . 2 . . . . 71 PRO HD2 . 16001 1 887 . 1 1 71 71 PRO HD3 H 1 3.566 0.035 . 2 . . . . 71 PRO HD3 . 16001 1 888 . 1 1 71 71 PRO HG2 H 1 2.144 0.035 . 2 . . . . 71 PRO HG2 . 16001 1 889 . 1 1 71 71 PRO HG3 H 1 2.242 0.035 . 2 . . . . 71 PRO HG3 . 16001 1 890 . 1 1 71 71 PRO C C 13 177.204 0.400 . 1 . . . . 71 PRO C . 16001 1 891 . 1 1 71 71 PRO CA C 13 62.915 0.400 . 1 . . . . 71 PRO CA . 16001 1 892 . 1 1 71 71 PRO CB C 13 32.380 0.400 . 1 . . . . 71 PRO CB . 16001 1 893 . 1 1 71 71 PRO CD C 13 51.073 0.400 . 1 . . . . 71 PRO CD . 16001 1 894 . 1 1 71 71 PRO CG C 13 27.968 0.400 . 1 . . . . 71 PRO CG . 16001 1 895 . 1 1 72 72 ILE H H 1 8.782 0.035 . 1 . . . . 72 ILE H . 16001 1 896 . 1 1 72 72 ILE HA H 1 3.407 0.035 . 1 . . . . 72 ILE HA . 16001 1 897 . 1 1 72 72 ILE HB H 1 1.929 0.035 . 1 . . . . 72 ILE HB . 16001 1 898 . 1 1 72 72 ILE HD11 H 1 0.801 0.035 . 1 . . . . 72 ILE HD1 . 16001 1 899 . 1 1 72 72 ILE HD12 H 1 0.801 0.035 . 1 . . . . 72 ILE HD1 . 16001 1 900 . 1 1 72 72 ILE HD13 H 1 0.801 0.035 . 1 . . . . 72 ILE HD1 . 16001 1 901 . 1 1 72 72 ILE HG12 H 1 1.229 0.035 . 2 . . . . 72 ILE HG12 . 16001 1 902 . 1 1 72 72 ILE HG13 H 1 1.714 0.035 . 2 . . . . 72 ILE HG13 . 16001 1 903 . 1 1 72 72 ILE HG21 H 1 0.981 0.035 . 1 . . . . 72 ILE HG2 . 16001 1 904 . 1 1 72 72 ILE HG22 H 1 0.981 0.035 . 1 . . . . 72 ILE HG2 . 16001 1 905 . 1 1 72 72 ILE HG23 H 1 0.981 0.035 . 1 . . . . 72 ILE HG2 . 16001 1 906 . 1 1 72 72 ILE C C 13 177.760 0.400 . 1 . . . . 72 ILE C . 16001 1 907 . 1 1 72 72 ILE CA C 13 65.627 0.400 . 1 . . . . 72 ILE CA . 16001 1 908 . 1 1 72 72 ILE CB C 13 36.771 0.400 . 1 . . . . 72 ILE CB . 16001 1 909 . 1 1 72 72 ILE CD1 C 13 12.089 0.400 . 1 . . . . 72 ILE CD1 . 16001 1 910 . 1 1 72 72 ILE CG1 C 13 29.298 0.400 . 1 . . . . 72 ILE CG1 . 16001 1 911 . 1 1 72 72 ILE CG2 C 13 18.155 0.400 . 1 . . . . 72 ILE CG2 . 16001 1 912 . 1 1 72 72 ILE N N 15 124.417 0.400 . 1 . . . . 72 ILE N . 16001 1 913 . 1 1 73 73 ALA H H 1 9.109 0.035 . 1 . . . . 73 ALA H . 16001 1 914 . 1 1 73 73 ALA HA H 1 3.974 0.035 . 1 . . . . 73 ALA HA . 16001 1 915 . 1 1 73 73 ALA HB1 H 1 1.501 0.035 . 1 . . . . 73 ALA HB1 . 16001 1 916 . 1 1 73 73 ALA HB2 H 1 1.501 0.035 . 1 . . . . 73 ALA HB1 . 16001 1 917 . 1 1 73 73 ALA HB3 H 1 1.501 0.035 . 1 . . . . 73 ALA HB1 . 16001 1 918 . 1 1 73 73 ALA C C 13 180.248 0.400 . 1 . . . . 73 ALA C . 16001 1 919 . 1 1 73 73 ALA CA C 13 55.232 0.400 . 1 . . . . 73 ALA CA . 16001 1 920 . 1 1 73 73 ALA CB C 13 18.338 0.400 . 1 . . . . 73 ALA CB . 16001 1 921 . 1 1 73 73 ALA N N 15 119.077 0.400 . 1 . . . . 73 ALA N . 16001 1 922 . 1 1 74 74 THR H H 1 7.112 0.035 . 1 . . . . 74 THR H . 16001 1 923 . 1 1 74 74 THR HA H 1 3.875 0.035 . 1 . . . . 74 THR HA . 16001 1 924 . 1 1 74 74 THR HB H 1 4.192 0.035 . 1 . . . . 74 THR HB . 16001 1 925 . 1 1 74 74 THR HG21 H 1 1.367 0.035 . 1 . . . . 74 THR HG2 . 16001 1 926 . 1 1 74 74 THR HG22 H 1 1.367 0.035 . 1 . . . . 74 THR HG2 . 16001 1 927 . 1 1 74 74 THR HG23 H 1 1.367 0.035 . 1 . . . . 74 THR HG2 . 16001 1 928 . 1 1 74 74 THR C C 13 175.761 0.400 . 1 . . . . 74 THR C . 16001 1 929 . 1 1 74 74 THR CA C 13 65.841 0.400 . 1 . . . . 74 THR CA . 16001 1 930 . 1 1 74 74 THR CB C 13 68.248 0.400 . 1 . . . . 74 THR CB . 16001 1 931 . 1 1 74 74 THR CG2 C 13 22.477 0.400 . 1 . . . . 74 THR CG2 . 16001 1 932 . 1 1 74 74 THR N N 15 114.866 0.400 . 1 . . . . 74 THR N . 16001 1 933 . 1 1 75 75 VAL H H 1 8.087 0.035 . 1 . . . . 75 VAL H . 16001 1 934 . 1 1 75 75 VAL HA H 1 3.305 0.035 . 1 . . . . 75 VAL HA . 16001 1 935 . 1 1 75 75 VAL HB H 1 2.271 0.035 . 1 . . . . 75 VAL HB . 16001 1 936 . 1 1 75 75 VAL HG11 H 1 0.897 0.035 . 2 . . . . 75 VAL HG1 . 16001 1 937 . 1 1 75 75 VAL HG12 H 1 0.897 0.035 . 2 . . . . 75 VAL HG1 . 16001 1 938 . 1 1 75 75 VAL HG13 H 1 0.897 0.035 . 2 . . . . 75 VAL HG1 . 16001 1 939 . 1 1 75 75 VAL HG21 H 1 0.848 0.035 . 2 . . . . 75 VAL HG2 . 16001 1 940 . 1 1 75 75 VAL HG22 H 1 0.848 0.035 . 2 . . . . 75 VAL HG2 . 16001 1 941 . 1 1 75 75 VAL HG23 H 1 0.848 0.035 . 2 . . . . 75 VAL HG2 . 16001 1 942 . 1 1 75 75 VAL C C 13 177.048 0.400 . 1 . . . . 75 VAL C . 16001 1 943 . 1 1 75 75 VAL CA C 13 67.681 0.400 . 1 . . . . 75 VAL CA . 16001 1 944 . 1 1 75 75 VAL CB C 13 30.831 0.400 . 1 . . . . 75 VAL CB . 16001 1 945 . 1 1 75 75 VAL CG1 C 13 22.159 0.400 . 1 . . . . 75 VAL CG1 . 16001 1 946 . 1 1 75 75 VAL CG2 C 13 22.542 0.400 . 1 . . . . 75 VAL CG2 . 16001 1 947 . 1 1 75 75 VAL N N 15 123.901 0.400 . 1 . . . . 75 VAL N . 16001 1 948 . 1 1 76 76 GLY H H 1 7.673 0.035 . 1 . . . . 76 GLY H . 16001 1 949 . 1 1 76 76 GLY HA2 H 1 2.235 0.035 . 2 . . . . 76 GLY HA2 . 16001 1 950 . 1 1 76 76 GLY HA3 H 1 3.003 0.035 . 2 . . . . 76 GLY HA3 . 16001 1 951 . 1 1 76 76 GLY C C 13 176.562 0.400 . 1 . . . . 76 GLY C . 16001 1 952 . 1 1 76 76 GLY CA C 13 46.293 0.400 . 1 . . . . 76 GLY CA . 16001 1 953 . 1 1 76 76 GLY N N 15 102.438 0.400 . 1 . . . . 76 GLY N . 16001 1 954 . 1 1 77 77 ARG H H 1 7.760 0.035 . 1 . . . . 77 ARG H . 16001 1 955 . 1 1 77 77 ARG HA H 1 3.982 0.035 . 1 . . . . 77 ARG HA . 16001 1 956 . 1 1 77 77 ARG HB2 H 1 1.903 0.035 . 2 . . . . 77 ARG HB2 . 16001 1 957 . 1 1 77 77 ARG HB3 H 1 1.903 0.035 . 2 . . . . 77 ARG HB3 . 16001 1 958 . 1 1 77 77 ARG HD2 H 1 3.228 0.035 . 2 . . . . 77 ARG HD2 . 16001 1 959 . 1 1 77 77 ARG HD3 H 1 3.283 0.035 . 2 . . . . 77 ARG HD3 . 16001 1 960 . 1 1 77 77 ARG HG2 H 1 1.729 0.035 . 2 . . . . 77 ARG HG2 . 16001 1 961 . 1 1 77 77 ARG HG3 H 1 1.849 0.035 . 2 . . . . 77 ARG HG3 . 16001 1 962 . 1 1 77 77 ARG C C 13 180.332 0.400 . 1 . . . . 77 ARG C . 16001 1 963 . 1 1 77 77 ARG CA C 13 59.550 0.400 . 1 . . . . 77 ARG CA . 16001 1 964 . 1 1 77 77 ARG CB C 13 30.085 0.400 . 1 . . . . 77 ARG CB . 16001 1 965 . 1 1 77 77 ARG CD C 13 43.349 0.400 . 1 . . . . 77 ARG CD . 16001 1 966 . 1 1 77 77 ARG CG C 13 28.020 0.400 . 1 . . . . 77 ARG CG . 16001 1 967 . 1 1 77 77 ARG N N 15 122.228 0.400 . 1 . . . . 77 ARG N . 16001 1 968 . 1 1 78 78 ASN H H 1 8.230 0.035 . 1 . . . . 78 ASN H . 16001 1 969 . 1 1 78 78 ASN HA H 1 4.397 0.035 . 1 . . . . 78 ASN HA . 16001 1 970 . 1 1 78 78 ASN HB2 H 1 2.594 0.035 . 2 . . . . 78 ASN HB2 . 16001 1 971 . 1 1 78 78 ASN HB3 H 1 2.873 0.035 . 2 . . . . 78 ASN HB3 . 16001 1 972 . 1 1 78 78 ASN HD21 H 1 7.144 0.035 . 2 . . . . 78 ASN HD21 . 16001 1 973 . 1 1 78 78 ASN HD22 H 1 6.719 0.035 . 2 . . . . 78 ASN HD22 . 16001 1 974 . 1 1 78 78 ASN C C 13 176.105 0.400 . 1 . . . . 78 ASN C . 16001 1 975 . 1 1 78 78 ASN CA C 13 55.615 0.400 . 1 . . . . 78 ASN CA . 16001 1 976 . 1 1 78 78 ASN CB C 13 38.806 0.400 . 1 . . . . 78 ASN CB . 16001 1 977 . 1 1 78 78 ASN CG C 13 176.430 0.400 . 1 . . . . 78 ASN CG . 16001 1 978 . 1 1 78 78 ASN N N 15 119.139 0.400 . 1 . . . . 78 ASN N . 16001 1 979 . 1 1 78 78 ASN ND2 N 15 110.816 0.400 . 1 . . . . 78 ASN ND2 . 16001 1 980 . 1 1 79 79 VAL H H 1 7.323 0.035 . 1 . . . . 79 VAL H . 16001 1 981 . 1 1 79 79 VAL HA H 1 4.438 0.035 . 1 . . . . 79 VAL HA . 16001 1 982 . 1 1 79 79 VAL HB H 1 2.473 0.035 . 1 . . . . 79 VAL HB . 16001 1 983 . 1 1 79 79 VAL HG11 H 1 1.045 0.035 . 2 . . . . 79 VAL HG1 . 16001 1 984 . 1 1 79 79 VAL HG12 H 1 1.045 0.035 . 2 . . . . 79 VAL HG1 . 16001 1 985 . 1 1 79 79 VAL HG13 H 1 1.045 0.035 . 2 . . . . 79 VAL HG1 . 16001 1 986 . 1 1 79 79 VAL HG21 H 1 0.908 0.035 . 2 . . . . 79 VAL HG2 . 16001 1 987 . 1 1 79 79 VAL HG22 H 1 0.908 0.035 . 2 . . . . 79 VAL HG2 . 16001 1 988 . 1 1 79 79 VAL HG23 H 1 0.908 0.035 . 2 . . . . 79 VAL HG2 . 16001 1 989 . 1 1 79 79 VAL C C 13 174.220 0.400 . 1 . . . . 79 VAL C . 16001 1 990 . 1 1 79 79 VAL CA C 13 59.911 0.400 . 1 . . . . 79 VAL CA . 16001 1 991 . 1 1 79 79 VAL CB C 13 31.400 0.400 . 1 . . . . 79 VAL CB . 16001 1 992 . 1 1 79 79 VAL CG1 C 13 18.776 0.400 . 1 . . . . 79 VAL CG1 . 16001 1 993 . 1 1 79 79 VAL CG2 C 13 20.867 0.400 . 1 . . . . 79 VAL CG2 . 16001 1 994 . 1 1 79 79 VAL N N 15 108.664 0.400 . 1 . . . . 79 VAL N . 16001 1 995 . 1 1 80 80 GLY H H 1 7.286 0.035 . 1 . . . . 80 GLY H . 16001 1 996 . 1 1 80 80 GLY HA2 H 1 3.540 0.035 . 2 . . . . 80 GLY HA2 . 16001 1 997 . 1 1 80 80 GLY HA3 H 1 4.023 0.035 . 2 . . . . 80 GLY HA3 . 16001 1 998 . 1 1 80 80 GLY C C 13 174.383 0.400 . 1 . . . . 80 GLY C . 16001 1 999 . 1 1 80 80 GLY CA C 13 45.739 0.400 . 1 . . . . 80 GLY CA . 16001 1 1000 . 1 1 80 80 GLY N N 15 104.635 0.400 . 1 . . . . 80 GLY N . 16001 1 1001 . 1 1 81 81 PHE H H 1 8.535 0.035 . 1 . . . . 81 PHE H . 16001 1 1002 . 1 1 81 81 PHE HA H 1 4.845 0.035 . 1 . . . . 81 PHE HA . 16001 1 1003 . 1 1 81 81 PHE HB2 H 1 2.588 0.035 . 2 . . . . 81 PHE HB2 . 16001 1 1004 . 1 1 81 81 PHE HB3 H 1 2.943 0.035 . 2 . . . . 81 PHE HB3 . 16001 1 1005 . 1 1 81 81 PHE HD1 H 1 7.094 0.035 . 3 . . . . 81 PHE HD1 . 16001 1 1006 . 1 1 81 81 PHE HD2 H 1 7.094 0.035 . 3 . . . . 81 PHE HD2 . 16001 1 1007 . 1 1 81 81 PHE HE1 H 1 6.841 0.035 . 3 . . . . 81 PHE HE1 . 16001 1 1008 . 1 1 81 81 PHE HE2 H 1 6.841 0.035 . 3 . . . . 81 PHE HE2 . 16001 1 1009 . 1 1 81 81 PHE HZ H 1 6.532 0.035 . 1 . . . . 81 PHE HZ . 16001 1 1010 . 1 1 81 81 PHE C C 13 174.570 0.400 . 1 . . . . 81 PHE C . 16001 1 1011 . 1 1 81 81 PHE CA C 13 56.375 0.400 . 1 . . . . 81 PHE CA . 16001 1 1012 . 1 1 81 81 PHE CB C 13 39.941 0.400 . 1 . . . . 81 PHE CB . 16001 1 1013 . 1 1 81 81 PHE CD1 C 13 131.491 0.400 . 3 . . . . 81 PHE CD1 . 16001 1 1014 . 1 1 81 81 PHE CD2 C 13 131.491 0.400 . 3 . . . . 81 PHE CD2 . 16001 1 1015 . 1 1 81 81 PHE CE1 C 13 131.536 0.400 . 3 . . . . 81 PHE CE1 . 16001 1 1016 . 1 1 81 81 PHE CE2 C 13 131.536 0.400 . 3 . . . . 81 PHE CE2 . 16001 1 1017 . 1 1 81 81 PHE CZ C 13 130.043 0.400 . 1 . . . . 81 PHE CZ . 16001 1 1018 . 1 1 81 81 PHE N N 15 119.772 0.400 . 1 . . . . 81 PHE N . 16001 1 1019 . 1 1 82 82 ASP H H 1 8.564 0.035 . 1 . . . . 82 ASP H . 16001 1 1020 . 1 1 82 82 ASP HA H 1 4.491 0.035 . 1 . . . . 82 ASP HA . 16001 1 1021 . 1 1 82 82 ASP HB2 H 1 2.735 0.035 . 2 . . . . 82 ASP HB2 . 16001 1 1022 . 1 1 82 82 ASP HB3 H 1 2.735 0.035 . 2 . . . . 82 ASP HB3 . 16001 1 1023 . 1 1 82 82 ASP C C 13 175.170 0.400 . 1 . . . . 82 ASP C . 16001 1 1024 . 1 1 82 82 ASP CA C 13 55.195 0.400 . 1 . . . . 82 ASP CA . 16001 1 1025 . 1 1 82 82 ASP CB C 13 41.010 0.400 . 1 . . . . 82 ASP CB . 16001 1 1026 . 1 1 82 82 ASP N N 15 123.028 0.400 . 1 . . . . 82 ASP N . 16001 1 1027 . 1 1 83 83 ASP H H 1 7.789 0.035 . 1 . . . . 83 ASP H . 16001 1 1028 . 1 1 83 83 ASP HA H 1 4.947 0.035 . 1 . . . . 83 ASP HA . 16001 1 1029 . 1 1 83 83 ASP HB2 H 1 2.704 0.035 . 2 . . . . 83 ASP HB2 . 16001 1 1030 . 1 1 83 83 ASP HB3 H 1 3.087 0.035 . 2 . . . . 83 ASP HB3 . 16001 1 1031 . 1 1 83 83 ASP C C 13 176.347 0.400 . 1 . . . . 83 ASP C . 16001 1 1032 . 1 1 83 83 ASP CA C 13 52.690 0.400 . 1 . . . . 83 ASP CA . 16001 1 1033 . 1 1 83 83 ASP CB C 13 43.152 0.400 . 1 . . . . 83 ASP CB . 16001 1 1034 . 1 1 83 83 ASP N N 15 118.576 0.400 . 1 . . . . 83 ASP N . 16001 1 1035 . 1 1 84 84 GLN H H 1 9.104 0.035 . 1 . . . . 84 GLN H . 16001 1 1036 . 1 1 84 84 GLN HA H 1 4.333 0.035 . 1 . . . . 84 GLN HA . 16001 1 1037 . 1 1 84 84 GLN HB2 H 1 2.161 0.035 . 2 . . . . 84 GLN HB2 . 16001 1 1038 . 1 1 84 84 GLN HB3 H 1 2.287 0.035 . 2 . . . . 84 GLN HB3 . 16001 1 1039 . 1 1 84 84 GLN HE21 H 1 7.594 0.035 . 2 . . . . 84 GLN HE21 . 16001 1 1040 . 1 1 84 84 GLN HE22 H 1 6.849 0.035 . 2 . . . . 84 GLN HE22 . 16001 1 1041 . 1 1 84 84 GLN HG2 H 1 2.327 0.035 . 2 . . . . 84 GLN HG2 . 16001 1 1042 . 1 1 84 84 GLN HG3 H 1 2.534 0.035 . 2 . . . . 84 GLN HG3 . 16001 1 1043 . 1 1 84 84 GLN C C 13 177.986 0.400 . 1 . . . . 84 GLN C . 16001 1 1044 . 1 1 84 84 GLN CA C 13 58.909 0.400 . 1 . . . . 84 GLN CA . 16001 1 1045 . 1 1 84 84 GLN CB C 13 28.267 0.400 . 1 . . . . 84 GLN CB . 16001 1 1046 . 1 1 84 84 GLN CD C 13 178.996 0.400 . 1 . . . . 84 GLN CD . 16001 1 1047 . 1 1 84 84 GLN CG C 13 33.215 0.400 . 1 . . . . 84 GLN CG . 16001 1 1048 . 1 1 84 84 GLN N N 15 126.543 0.400 . 1 . . . . 84 GLN N . 16001 1 1049 . 1 1 84 84 GLN NE2 N 15 111.480 0.400 . 1 . . . . 84 GLN NE2 . 16001 1 1050 . 1 1 85 85 LEU H H 1 8.419 0.035 . 1 . . . . 85 LEU H . 16001 1 1051 . 1 1 85 85 LEU HA H 1 4.210 0.035 . 1 . . . . 85 LEU HA . 16001 1 1052 . 1 1 85 85 LEU HB2 H 1 1.703 0.035 . 2 . . . . 85 LEU HB2 . 16001 1 1053 . 1 1 85 85 LEU HB3 H 1 1.988 0.035 . 2 . . . . 85 LEU HB3 . 16001 1 1054 . 1 1 85 85 LEU HD11 H 1 1.013 0.035 . 2 . . . . 85 LEU HD1 . 16001 1 1055 . 1 1 85 85 LEU HD12 H 1 1.013 0.035 . 2 . . . . 85 LEU HD1 . 16001 1 1056 . 1 1 85 85 LEU HD13 H 1 1.013 0.035 . 2 . . . . 85 LEU HD1 . 16001 1 1057 . 1 1 85 85 LEU HD21 H 1 0.945 0.035 . 2 . . . . 85 LEU HD2 . 16001 1 1058 . 1 1 85 85 LEU HD22 H 1 0.945 0.035 . 2 . . . . 85 LEU HD2 . 16001 1 1059 . 1 1 85 85 LEU HD23 H 1 0.945 0.035 . 2 . . . . 85 LEU HD2 . 16001 1 1060 . 1 1 85 85 LEU HG H 1 1.705 0.035 . 1 . . . . 85 LEU HG . 16001 1 1061 . 1 1 85 85 LEU C C 13 179.472 0.400 . 1 . . . . 85 LEU C . 16001 1 1062 . 1 1 85 85 LEU CA C 13 57.958 0.400 . 1 . . . . 85 LEU CA . 16001 1 1063 . 1 1 85 85 LEU CB C 13 40.678 0.400 . 1 . . . . 85 LEU CB . 16001 1 1064 . 1 1 85 85 LEU CD1 C 13 24.515 0.400 . 1 . . . . 85 LEU CD1 . 16001 1 1065 . 1 1 85 85 LEU CD2 C 13 23.654 0.400 . 1 . . . . 85 LEU CD2 . 16001 1 1066 . 1 1 85 85 LEU CG C 13 27.259 0.400 . 1 . . . . 85 LEU CG . 16001 1 1067 . 1 1 85 85 LEU N N 15 123.486 0.400 . 1 . . . . 85 LEU N . 16001 1 1068 . 1 1 86 86 TYR H H 1 8.042 0.035 . 1 . . . . 86 TYR H . 16001 1 1069 . 1 1 86 86 TYR HA H 1 4.288 0.035 . 1 . . . . 86 TYR HA . 16001 1 1070 . 1 1 86 86 TYR HB2 H 1 3.270 0.035 . 2 . . . . 86 TYR HB2 . 16001 1 1071 . 1 1 86 86 TYR HB3 H 1 3.299 0.035 . 2 . . . . 86 TYR HB3 . 16001 1 1072 . 1 1 86 86 TYR HD1 H 1 7.332 0.035 . 3 . . . . 86 TYR HD1 . 16001 1 1073 . 1 1 86 86 TYR HD2 H 1 7.332 0.035 . 3 . . . . 86 TYR HD2 . 16001 1 1074 . 1 1 86 86 TYR HE1 H 1 6.985 0.035 . 3 . . . . 86 TYR HE1 . 16001 1 1075 . 1 1 86 86 TYR HE2 H 1 6.985 0.035 . 3 . . . . 86 TYR HE2 . 16001 1 1076 . 1 1 86 86 TYR C C 13 177.195 0.400 . 1 . . . . 86 TYR C . 16001 1 1077 . 1 1 86 86 TYR CA C 13 60.367 0.400 . 1 . . . . 86 TYR CA . 16001 1 1078 . 1 1 86 86 TYR CB C 13 38.184 0.400 . 1 . . . . 86 TYR CB . 16001 1 1079 . 1 1 86 86 TYR CD1 C 13 132.798 0.400 . 3 . . . . 86 TYR CD1 . 16001 1 1080 . 1 1 86 86 TYR CD2 C 13 132.909 0.400 . 3 . . . . 86 TYR CD2 . 16001 1 1081 . 1 1 86 86 TYR CE1 C 13 118.470 0.400 . 3 . . . . 86 TYR CE1 . 16001 1 1082 . 1 1 86 86 TYR CE2 C 13 118.470 0.400 . 3 . . . . 86 TYR CE2 . 16001 1 1083 . 1 1 86 86 TYR N N 15 122.679 0.400 . 1 . . . . 86 TYR N . 16001 1 1084 . 1 1 87 87 PHE H H 1 8.219 0.035 . 1 . . . . 87 PHE H . 16001 1 1085 . 1 1 87 87 PHE HA H 1 3.261 0.035 . 1 . . . . 87 PHE HA . 16001 1 1086 . 1 1 87 87 PHE HB2 H 1 3.021 0.035 . 2 . . . . 87 PHE HB2 . 16001 1 1087 . 1 1 87 87 PHE HB3 H 1 3.299 0.035 . 2 . . . . 87 PHE HB3 . 16001 1 1088 . 1 1 87 87 PHE HD1 H 1 6.790 0.035 . 3 . . . . 87 PHE HD1 . 16001 1 1089 . 1 1 87 87 PHE HD2 H 1 6.790 0.035 . 3 . . . . 87 PHE HD2 . 16001 1 1090 . 1 1 87 87 PHE HE1 H 1 6.922 0.035 . 3 . . . . 87 PHE HE1 . 16001 1 1091 . 1 1 87 87 PHE HE2 H 1 6.922 0.035 . 3 . . . . 87 PHE HE2 . 16001 1 1092 . 1 1 87 87 PHE HZ H 1 6.633 0.035 . 1 . . . . 87 PHE HZ . 16001 1 1093 . 1 1 87 87 PHE C C 13 175.875 0.400 . 1 . . . . 87 PHE C . 16001 1 1094 . 1 1 87 87 PHE CA C 13 58.536 0.400 . 1 . . . . 87 PHE CA . 16001 1 1095 . 1 1 87 87 PHE CB C 13 38.124 0.400 . 1 . . . . 87 PHE CB . 16001 1 1096 . 1 1 87 87 PHE CD1 C 13 132.331 0.400 . 3 . . . . 87 PHE CD1 . 16001 1 1097 . 1 1 87 87 PHE CD2 C 13 132.433 0.400 . 3 . . . . 87 PHE CD2 . 16001 1 1098 . 1 1 87 87 PHE CE1 C 13 129.618 0.400 . 3 . . . . 87 PHE CE1 . 16001 1 1099 . 1 1 87 87 PHE CE2 C 13 129.618 0.400 . 3 . . . . 87 PHE CE2 . 16001 1 1100 . 1 1 87 87 PHE CZ C 13 128.006 0.400 . 1 . . . . 87 PHE CZ . 16001 1 1101 . 1 1 87 87 PHE N N 15 116.536 0.400 . 1 . . . . 87 PHE N . 16001 1 1102 . 1 1 88 88 SER H H 1 8.082 0.035 . 1 . . . . 88 SER H . 16001 1 1103 . 1 1 88 88 SER HA H 1 3.951 0.035 . 1 . . . . 88 SER HA . 16001 1 1104 . 1 1 88 88 SER HB3 H 1 3.263 0.035 . 2 . . . . 88 SER HB3 . 16001 1 1105 . 1 1 88 88 SER C C 13 175.926 0.400 . 1 . . . . 88 SER C . 16001 1 1106 . 1 1 88 88 SER CA C 13 62.398 0.400 . 1 . . . . 88 SER CA . 16001 1 1107 . 1 1 88 88 SER N N 15 112.937 0.400 . 1 . . . . 88 SER N . 16001 1 1108 . 1 1 89 89 ARG H H 1 7.843 0.035 . 1 . . . . 89 ARG H . 16001 1 1109 . 1 1 89 89 ARG HA H 1 3.975 0.035 . 1 . . . . 89 ARG HA . 16001 1 1110 . 1 1 89 89 ARG HB2 H 1 1.849 0.035 . 2 . . . . 89 ARG HB2 . 16001 1 1111 . 1 1 89 89 ARG HB3 H 1 1.972 0.035 . 2 . . . . 89 ARG HB3 . 16001 1 1112 . 1 1 89 89 ARG HD2 H 1 3.210 0.035 . 2 . . . . 89 ARG HD2 . 16001 1 1113 . 1 1 89 89 ARG HD3 H 1 3.252 0.035 . 2 . . . . 89 ARG HD3 . 16001 1 1114 . 1 1 89 89 ARG HG2 H 1 1.588 0.035 . 2 . . . . 89 ARG HG2 . 16001 1 1115 . 1 1 89 89 ARG HG3 H 1 1.847 0.035 . 2 . . . . 89 ARG HG3 . 16001 1 1116 . 1 1 89 89 ARG C C 13 179.414 0.400 . 1 . . . . 89 ARG C . 16001 1 1117 . 1 1 89 89 ARG CA C 13 59.452 0.400 . 1 . . . . 89 ARG CA . 16001 1 1118 . 1 1 89 89 ARG CB C 13 30.242 0.400 . 1 . . . . 89 ARG CB . 16001 1 1119 . 1 1 89 89 ARG CD C 13 43.755 0.400 . 1 . . . . 89 ARG CD . 16001 1 1120 . 1 1 89 89 ARG CG C 13 27.524 0.400 . 1 . . . . 89 ARG CG . 16001 1 1121 . 1 1 89 89 ARG N N 15 121.621 0.400 . 1 . . . . 89 ARG N . 16001 1 1122 . 1 1 90 90 VAL H H 1 8.235 0.035 . 1 . . . . 90 VAL H . 16001 1 1123 . 1 1 90 90 VAL HA H 1 3.530 0.035 . 1 . . . . 90 VAL HA . 16001 1 1124 . 1 1 90 90 VAL HB H 1 1.641 0.035 . 1 . . . . 90 VAL HB . 16001 1 1125 . 1 1 90 90 VAL HG11 H 1 0.865 0.035 . 2 . . . . 90 VAL HG1 . 16001 1 1126 . 1 1 90 90 VAL HG12 H 1 0.865 0.035 . 2 . . . . 90 VAL HG1 . 16001 1 1127 . 1 1 90 90 VAL HG13 H 1 0.865 0.035 . 2 . . . . 90 VAL HG1 . 16001 1 1128 . 1 1 90 90 VAL HG21 H 1 0.719 0.035 . 2 . . . . 90 VAL HG2 . 16001 1 1129 . 1 1 90 90 VAL HG22 H 1 0.719 0.035 . 2 . . . . 90 VAL HG2 . 16001 1 1130 . 1 1 90 90 VAL HG23 H 1 0.719 0.035 . 2 . . . . 90 VAL HG2 . 16001 1 1131 . 1 1 90 90 VAL C C 13 177.752 0.400 . 1 . . . . 90 VAL C . 16001 1 1132 . 1 1 90 90 VAL CA C 13 66.208 0.400 . 1 . . . . 90 VAL CA . 16001 1 1133 . 1 1 90 90 VAL CB C 13 31.649 0.400 . 1 . . . . 90 VAL CB . 16001 1 1134 . 1 1 90 90 VAL CG1 C 13 21.344 0.400 . 1 . . . . 90 VAL CG1 . 16001 1 1135 . 1 1 90 90 VAL CG2 C 13 22.696 0.400 . 1 . . . . 90 VAL CG2 . 16001 1 1136 . 1 1 90 90 VAL N N 15 122.095 0.400 . 1 . . . . 90 VAL N . 16001 1 1137 . 1 1 91 91 PHE H H 1 8.763 0.035 . 1 . . . . 91 PHE H . 16001 1 1138 . 1 1 91 91 PHE HA H 1 3.584 0.035 . 1 . . . . 91 PHE HA . 16001 1 1139 . 1 1 91 91 PHE HB2 H 1 2.239 0.035 . 2 . . . . 91 PHE HB2 . 16001 1 1140 . 1 1 91 91 PHE HB3 H 1 2.519 0.035 . 2 . . . . 91 PHE HB3 . 16001 1 1141 . 1 1 91 91 PHE C C 13 178.386 0.400 . 1 . . . . 91 PHE C . 16001 1 1142 . 1 1 91 91 PHE CA C 13 62.523 0.400 . 1 . . . . 91 PHE CA . 16001 1 1143 . 1 1 91 91 PHE CB C 13 39.528 0.400 . 1 . . . . 91 PHE CB . 16001 1 1144 . 1 1 91 91 PHE N N 15 121.769 0.400 . 1 . . . . 91 PHE N . 16001 1 1145 . 1 1 92 92 LYS H H 1 8.237 0.035 . 1 . . . . 92 LYS H . 16001 1 1146 . 1 1 92 92 LYS HA H 1 4.217 0.035 . 1 . . . . 92 LYS HA . 16001 1 1147 . 1 1 92 92 LYS HB2 H 1 1.629 0.035 . 2 . . . . 92 LYS HB2 . 16001 1 1148 . 1 1 92 92 LYS HB3 H 1 1.882 0.035 . 2 . . . . 92 LYS HB3 . 16001 1 1149 . 1 1 92 92 LYS HD2 H 1 1.476 0.035 . 2 . . . . 92 LYS HD2 . 16001 1 1150 . 1 1 92 92 LYS HD3 H 1 1.538 0.035 . 2 . . . . 92 LYS HD3 . 16001 1 1151 . 1 1 92 92 LYS HE3 H 1 2.902 0.035 . 2 . . . . 92 LYS HE3 . 16001 1 1152 . 1 1 92 92 LYS HG3 H 1 1.313 0.035 . 2 . . . . 92 LYS HG3 . 16001 1 1153 . 1 1 92 92 LYS C C 13 179.621 0.400 . 1 . . . . 92 LYS C . 16001 1 1154 . 1 1 92 92 LYS CA C 13 58.597 0.400 . 1 . . . . 92 LYS CA . 16001 1 1155 . 1 1 92 92 LYS CB C 13 32.290 0.400 . 1 . . . . 92 LYS CB . 16001 1 1156 . 1 1 92 92 LYS CD C 13 29.217 0.400 . 1 . . . . 92 LYS CD . 16001 1 1157 . 1 1 92 92 LYS CE C 13 42.009 0.400 . 1 . . . . 92 LYS CE . 16001 1 1158 . 1 1 92 92 LYS CG C 13 25.081 0.400 . 1 . . . . 92 LYS CG . 16001 1 1159 . 1 1 92 92 LYS N N 15 121.441 0.400 . 1 . . . . 92 LYS N . 16001 1 1160 . 1 1 93 93 LYS H H 1 8.013 0.035 . 1 . . . . 93 LYS H . 16001 1 1161 . 1 1 93 93 LYS HA H 1 3.956 0.035 . 1 . . . . 93 LYS HA . 16001 1 1162 . 1 1 93 93 LYS HB2 H 1 1.922 0.035 . 2 . . . . 93 LYS HB2 . 16001 1 1163 . 1 1 93 93 LYS HB3 H 1 2.084 0.035 . 2 . . . . 93 LYS HB3 . 16001 1 1164 . 1 1 93 93 LYS HD2 H 1 1.670 0.035 . 2 . . . . 93 LYS HD2 . 16001 1 1165 . 1 1 93 93 LYS HD3 H 1 1.753 0.035 . 2 . . . . 93 LYS HD3 . 16001 1 1166 . 1 1 93 93 LYS HE3 H 1 2.991 0.035 . 2 . . . . 93 LYS HE3 . 16001 1 1167 . 1 1 93 93 LYS HG2 H 1 1.413 0.035 . 2 . . . . 93 LYS HG2 . 16001 1 1168 . 1 1 93 93 LYS HG3 H 1 1.561 0.035 . 2 . . . . 93 LYS HG3 . 16001 1 1169 . 1 1 93 93 LYS C C 13 178.611 0.400 . 1 . . . . 93 LYS C . 16001 1 1170 . 1 1 93 93 LYS CA C 13 59.356 0.400 . 1 . . . . 93 LYS CA . 16001 1 1171 . 1 1 93 93 LYS CB C 13 31.785 0.400 . 1 . . . . 93 LYS CB . 16001 1 1172 . 1 1 93 93 LYS CD C 13 29.081 0.400 . 1 . . . . 93 LYS CD . 16001 1 1173 . 1 1 93 93 LYS CE C 13 41.825 0.400 . 1 . . . . 93 LYS CE . 16001 1 1174 . 1 1 93 93 LYS CG C 13 24.601 0.400 . 1 . . . . 93 LYS CG . 16001 1 1175 . 1 1 93 93 LYS N N 15 122.286 0.400 . 1 . . . . 93 LYS N . 16001 1 1176 . 1 1 94 94 CYS H H 1 7.818 0.035 . 1 . . . . 94 CYS H . 16001 1 1177 . 1 1 94 94 CYS HA H 1 4.224 0.035 . 1 . . . . 94 CYS HA . 16001 1 1178 . 1 1 94 94 CYS HB2 H 1 2.601 0.035 . 2 . . . . 94 CYS HB2 . 16001 1 1179 . 1 1 94 94 CYS HB3 H 1 2.828 0.035 . 2 . . . . 94 CYS HB3 . 16001 1 1180 . 1 1 94 94 CYS C C 13 176.440 0.400 . 1 . . . . 94 CYS C . 16001 1 1181 . 1 1 94 94 CYS CA C 13 62.517 0.400 . 1 . . . . 94 CYS CA . 16001 1 1182 . 1 1 94 94 CYS CB C 13 28.104 0.400 . 1 . . . . 94 CYS CB . 16001 1 1183 . 1 1 94 94 CYS N N 15 113.581 0.400 . 1 . . . . 94 CYS N . 16001 1 1184 . 1 1 95 95 THR H H 1 8.038 0.035 . 1 . . . . 95 THR H . 16001 1 1185 . 1 1 95 95 THR HA H 1 4.397 0.035 . 1 . . . . 95 THR HA . 16001 1 1186 . 1 1 95 95 THR HB H 1 4.038 0.035 . 1 . . . . 95 THR HB . 16001 1 1187 . 1 1 95 95 THR HG21 H 1 0.211 0.035 . 1 . . . . 95 THR HG2 . 16001 1 1188 . 1 1 95 95 THR HG22 H 1 0.211 0.035 . 1 . . . . 95 THR HG2 . 16001 1 1189 . 1 1 95 95 THR HG23 H 1 0.211 0.035 . 1 . . . . 95 THR HG2 . 16001 1 1190 . 1 1 95 95 THR C C 13 176.237 0.400 . 1 . . . . 95 THR C . 16001 1 1191 . 1 1 95 95 THR CA C 13 62.507 0.400 . 1 . . . . 95 THR CA . 16001 1 1192 . 1 1 95 95 THR CB C 13 71.481 0.400 . 1 . . . . 95 THR CB . 16001 1 1193 . 1 1 95 95 THR CG2 C 13 19.202 0.400 . 1 . . . . 95 THR CG2 . 16001 1 1194 . 1 1 95 95 THR N N 15 106.903 0.400 . 1 . . . . 95 THR N . 16001 1 1195 . 1 1 96 96 GLY H H 1 8.526 0.035 . 1 . . . . 96 GLY H . 16001 1 1196 . 1 1 96 96 GLY HA2 H 1 3.724 0.035 . 2 . . . . 96 GLY HA2 . 16001 1 1197 . 1 1 96 96 GLY HA3 H 1 4.374 0.035 . 2 . . . . 96 GLY HA3 . 16001 1 1198 . 1 1 96 96 GLY C C 13 172.550 0.400 . 1 . . . . 96 GLY C . 16001 1 1199 . 1 1 96 96 GLY CA C 13 45.264 0.400 . 1 . . . . 96 GLY CA . 16001 1 1200 . 1 1 96 96 GLY N N 15 112.762 0.400 . 1 . . . . 96 GLY N . 16001 1 1201 . 1 1 97 97 ALA H H 1 8.560 0.035 . 1 . . . . 97 ALA H . 16001 1 1202 . 1 1 97 97 ALA HA H 1 4.841 0.035 . 1 . . . . 97 ALA HA . 16001 1 1203 . 1 1 97 97 ALA HB1 H 1 1.491 0.035 . 1 . . . . 97 ALA HB1 . 16001 1 1204 . 1 1 97 97 ALA HB2 H 1 1.491 0.035 . 1 . . . . 97 ALA HB1 . 16001 1 1205 . 1 1 97 97 ALA HB3 H 1 1.491 0.035 . 1 . . . . 97 ALA HB1 . 16001 1 1206 . 1 1 97 97 ALA C C 13 175.280 0.400 . 1 . . . . 97 ALA C . 16001 1 1207 . 1 1 97 97 ALA CA C 13 50.176 0.400 . 1 . . . . 97 ALA CA . 16001 1 1208 . 1 1 97 97 ALA CB C 13 22.551 0.400 . 1 . . . . 97 ALA CB . 16001 1 1209 . 1 1 97 97 ALA N N 15 125.656 0.400 . 1 . . . . 97 ALA N . 16001 1 1210 . 1 1 98 98 SER H H 1 8.817 0.035 . 1 . . . . 98 SER H . 16001 1 1211 . 1 1 98 98 SER HA H 1 4.656 0.035 . 1 . . . . 98 SER HA . 16001 1 1212 . 1 1 98 98 SER CA C 13 56.612 0.400 . 1 . . . . 98 SER CA . 16001 1 1213 . 1 1 98 98 SER N N 15 114.919 0.400 . 1 . . . . 98 SER N . 16001 1 1214 . 1 1 99 99 PRO HA H 1 3.500 0.035 . 1 . . . . 99 PRO HA . 16001 1 1215 . 1 1 99 99 PRO HB2 H 1 1.536 0.035 . 2 . . . . 99 PRO HB2 . 16001 1 1216 . 1 1 99 99 PRO HB3 H 1 1.842 0.035 . 2 . . . . 99 PRO HB3 . 16001 1 1217 . 1 1 99 99 PRO HD2 H 1 3.624 0.035 . 2 . . . . 99 PRO HD2 . 16001 1 1218 . 1 1 99 99 PRO HD3 H 1 3.991 0.035 . 2 . . . . 99 PRO HD3 . 16001 1 1219 . 1 1 99 99 PRO HG3 H 1 1.499 0.035 . 2 . . . . 99 PRO HG3 . 16001 1 1220 . 1 1 99 99 PRO C C 13 177.585 0.400 . 1 . . . . 99 PRO C . 16001 1 1221 . 1 1 99 99 PRO CA C 13 66.202 0.400 . 1 . . . . 99 PRO CA . 16001 1 1222 . 1 1 99 99 PRO CB C 13 32.030 0.400 . 1 . . . . 99 PRO CB . 16001 1 1223 . 1 1 99 99 PRO CD C 13 49.492 0.400 . 1 . . . . 99 PRO CD . 16001 1 1224 . 1 1 99 99 PRO CG C 13 27.203 0.400 . 1 . . . . 99 PRO CG . 16001 1 1225 . 1 1 100 100 SER H H 1 8.254 0.035 . 1 . . . . 100 SER H . 16001 1 1226 . 1 1 100 100 SER HA H 1 4.029 0.035 . 1 . . . . 100 SER HA . 16001 1 1227 . 1 1 100 100 SER C C 13 177.441 0.400 . 1 . . . . 100 SER C . 16001 1 1228 . 1 1 100 100 SER CA C 13 61.891 0.400 . 1 . . . . 100 SER CA . 16001 1 1229 . 1 1 100 100 SER N N 15 111.230 0.400 . 1 . . . . 100 SER N . 16001 1 1230 . 1 1 101 101 GLU H H 1 7.848 0.035 . 1 . . . . 101 GLU H . 16001 1 1231 . 1 1 101 101 GLU HA H 1 4.021 0.035 . 1 . . . . 101 GLU HA . 16001 1 1232 . 1 1 101 101 GLU HB2 H 1 2.377 0.035 . 2 . . . . 101 GLU HB2 . 16001 1 1233 . 1 1 101 101 GLU HB3 H 1 2.064 0.035 . 2 . . . . 101 GLU HB3 . 16001 1 1234 . 1 1 101 101 GLU HG2 H 1 2.340 0.035 . 2 . . . . 101 GLU HG2 . 16001 1 1235 . 1 1 101 101 GLU HG3 H 1 2.358 0.035 . 2 . . . . 101 GLU HG3 . 16001 1 1236 . 1 1 101 101 GLU C C 13 179.288 0.400 . 1 . . . . 101 GLU C . 16001 1 1237 . 1 1 101 101 GLU CA C 13 58.822 0.400 . 1 . . . . 101 GLU CA . 16001 1 1238 . 1 1 101 101 GLU CB C 13 29.846 0.400 . 1 . . . . 101 GLU CB . 16001 1 1239 . 1 1 101 101 GLU CG C 13 36.590 0.400 . 1 . . . . 101 GLU CG . 16001 1 1240 . 1 1 101 101 GLU N N 15 125.150 0.400 . 1 . . . . 101 GLU N . 16001 1 1241 . 1 1 102 102 PHE H H 1 8.923 0.035 . 1 . . . . 102 PHE H . 16001 1 1242 . 1 1 102 102 PHE HA H 1 4.155 0.035 . 1 . . . . 102 PHE HA . 16001 1 1243 . 1 1 102 102 PHE HB2 H 1 3.264 0.035 . 2 . . . . 102 PHE HB2 . 16001 1 1244 . 1 1 102 102 PHE HB3 H 1 3.301 0.035 . 2 . . . . 102 PHE HB3 . 16001 1 1245 . 1 1 102 102 PHE C C 13 178.343 0.400 . 1 . . . . 102 PHE C . 16001 1 1246 . 1 1 102 102 PHE CA C 13 61.315 0.400 . 1 . . . . 102 PHE CA . 16001 1 1247 . 1 1 102 102 PHE CB C 13 40.083 0.400 . 1 . . . . 102 PHE CB . 16001 1 1248 . 1 1 102 102 PHE N N 15 121.281 0.400 . 1 . . . . 102 PHE N . 16001 1 1249 . 1 1 103 103 ARG H H 1 8.210 0.035 . 1 . . . . 103 ARG H . 16001 1 1250 . 1 1 103 103 ARG HA H 1 3.830 0.035 . 1 . . . . 103 ARG HA . 16001 1 1251 . 1 1 103 103 ARG HB2 H 1 2.000 0.035 . 2 . . . . 103 ARG HB2 . 16001 1 1252 . 1 1 103 103 ARG HB3 H 1 2.000 0.035 . 2 . . . . 103 ARG HB3 . 16001 1 1253 . 1 1 103 103 ARG HD2 H 1 3.146 0.035 . 2 . . . . 103 ARG HD2 . 16001 1 1254 . 1 1 103 103 ARG HD3 H 1 3.431 0.035 . 2 . . . . 103 ARG HD3 . 16001 1 1255 . 1 1 103 103 ARG HG2 H 1 1.752 0.035 . 2 . . . . 103 ARG HG2 . 16001 1 1256 . 1 1 103 103 ARG HG3 H 1 1.845 0.035 . 2 . . . . 103 ARG HG3 . 16001 1 1257 . 1 1 103 103 ARG C C 13 177.602 0.400 . 1 . . . . 103 ARG C . 16001 1 1258 . 1 1 103 103 ARG CA C 13 59.235 0.400 . 1 . . . . 103 ARG CA . 16001 1 1259 . 1 1 103 103 ARG CD C 13 44.247 0.400 . 1 . . . . 103 ARG CD . 16001 1 1260 . 1 1 103 103 ARG CG C 13 26.184 0.400 . 1 . . . . 103 ARG CG . 16001 1 1261 . 1 1 103 103 ARG N N 15 119.223 0.400 . 1 . . . . 103 ARG N . 16001 1 1262 . 1 1 104 104 ALA H H 1 7.905 0.035 . 1 . . . . 104 ALA H . 16001 1 1263 . 1 1 104 104 ALA HA H 1 4.186 0.035 . 1 . . . . 104 ALA HA . 16001 1 1264 . 1 1 104 104 ALA HB1 H 1 1.493 0.035 . 1 . . . . 104 ALA HB1 . 16001 1 1265 . 1 1 104 104 ALA HB2 H 1 1.493 0.035 . 1 . . . . 104 ALA HB1 . 16001 1 1266 . 1 1 104 104 ALA HB3 H 1 1.493 0.035 . 1 . . . . 104 ALA HB1 . 16001 1 1267 . 1 1 104 104 ALA C C 13 179.126 0.400 . 1 . . . . 104 ALA C . 16001 1 1268 . 1 1 104 104 ALA CA C 13 54.188 0.400 . 1 . . . . 104 ALA CA . 16001 1 1269 . 1 1 104 104 ALA CB C 13 18.254 0.400 . 1 . . . . 104 ALA CB . 16001 1 1270 . 1 1 104 104 ALA N N 15 120.546 0.400 . 1 . . . . 104 ALA N . 16001 1 1271 . 1 1 105 105 GLY H H 1 7.676 0.035 . 1 . . . . 105 GLY H . 16001 1 1272 . 1 1 105 105 GLY HA2 H 1 3.849 0.035 . 2 . . . . 105 GLY HA2 . 16001 1 1273 . 1 1 105 105 GLY HA3 H 1 4.052 0.035 . 2 . . . . 105 GLY HA3 . 16001 1 1274 . 1 1 105 105 GLY C C 13 174.515 0.400 . 1 . . . . 105 GLY C . 16001 1 1275 . 1 1 105 105 GLY CA C 13 45.317 0.400 . 1 . . . . 105 GLY CA . 16001 1 1276 . 1 1 105 105 GLY N N 15 104.677 0.400 . 1 . . . . 105 GLY N . 16001 1 1277 . 1 1 106 106 CYS H H 1 7.599 0.035 . 1 . . . . 106 CYS H . 16001 1 1278 . 1 1 106 106 CYS HA H 1 4.447 0.035 . 1 . . . . 106 CYS HA . 16001 1 1279 . 1 1 106 106 CYS HB2 H 1 2.908 0.035 . 2 . . . . 106 CYS HB2 . 16001 1 1280 . 1 1 106 106 CYS HB3 H 1 2.935 0.035 . 2 . . . . 106 CYS HB3 . 16001 1 1281 . 1 1 106 106 CYS C C 13 173.823 0.400 . 1 . . . . 106 CYS C . 16001 1 1282 . 1 1 106 106 CYS CA C 13 59.123 0.400 . 1 . . . . 106 CYS CA . 16001 1 1283 . 1 1 106 106 CYS CB C 13 28.004 0.400 . 1 . . . . 106 CYS CB . 16001 1 1284 . 1 1 106 106 CYS N N 15 118.321 0.400 . 1 . . . . 106 CYS N . 16001 1 1285 . 1 1 107 107 GLU H H 1 7.740 0.035 . 1 . . . . 107 GLU H . 16001 1 1286 . 1 1 107 107 GLU HA H 1 4.110 0.035 . 1 . . . . 107 GLU HA . 16001 1 1287 . 1 1 107 107 GLU HB2 H 1 1.931 0.035 . 2 . . . . 107 GLU HB2 . 16001 1 1288 . 1 1 107 107 GLU HB3 H 1 2.057 0.035 . 2 . . . . 107 GLU HB3 . 16001 1 1289 . 1 1 107 107 GLU HG2 H 1 2.261 0.035 . 2 . . . . 107 GLU HG2 . 16001 1 1290 . 1 1 107 107 GLU HG3 H 1 2.313 0.035 . 2 . . . . 107 GLU HG3 . 16001 1 1291 . 1 1 107 107 GLU CA C 13 57.989 0.400 . 1 . . . . 107 GLU CA . 16001 1 1292 . 1 1 107 107 GLU CB C 13 30.733 0.400 . 1 . . . . 107 GLU CB . 16001 1 1293 . 1 1 107 107 GLU CG C 13 36.177 0.400 . 1 . . . . 107 GLU CG . 16001 1 1294 . 1 1 107 107 GLU N N 15 126.982 0.400 . 1 . . . . 107 GLU N . 16001 1 stop_ save_