################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 15300 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 15300 1 2 '2D 1H-1H TOCSY' . . . 15300 1 3 '2D 1H-1H COSY' . . . 15300 1 4 '2D 1H-15N HSQC' . . . 15300 1 5 '3D 1H-15N NOESY' . . . 15300 1 6 '3D 1H-15N TOCSY' . . . 15300 1 7 '3D CBCA(CO)NH' . . . 15300 1 8 '3D HNCO' . . . 15300 1 9 '3D HNCA' . . . 15300 1 10 '3D HNCACB' . . . 15300 1 11 '3D HBHA(CO)NH' . . . 15300 1 12 '3D HN(CO)CA' . . . 15300 1 13 '3D HNHA' . . . 15300 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY . . 15300 1 2 $NMRView . . 15300 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 2 2 VAL HB H 1 1.370 0.04 . 1 . . . . 2 VAL HB . 15300 1 2 . 1 1 2 2 VAL HG11 H 1 0.820 0.04 . 2 . . . . 2 VAL HG11 . 15300 1 3 . 1 1 2 2 VAL HG12 H 1 0.820 0.04 . 2 . . . . 2 VAL HG12 . 15300 1 4 . 1 1 2 2 VAL HG13 H 1 0.820 0.04 . 2 . . . . 2 VAL HG13 . 15300 1 5 . 1 1 2 2 VAL HG21 H 1 0.799 0.04 . 2 . . . . 2 VAL HG21 . 15300 1 6 . 1 1 2 2 VAL HG22 H 1 0.799 0.04 . 2 . . . . 2 VAL HG22 . 15300 1 7 . 1 1 2 2 VAL HG23 H 1 0.799 0.04 . 2 . . . . 2 VAL HG23 . 15300 1 8 . 1 1 3 3 GLN H H 1 7.626 0.04 . 1 . . . . 3 GLN H . 15300 1 9 . 1 1 3 3 GLN HA H 1 4.294 0.04 . 1 . . . . 3 GLN HA . 15300 1 10 . 1 1 3 3 GLN HB2 H 1 1.625 0.04 . 2 . . . . 3 GLN HB2 . 15300 1 11 . 1 1 3 3 GLN HB3 H 1 1.573 0.04 . 2 . . . . 3 GLN HB3 . 15300 1 12 . 1 1 3 3 GLN HG2 H 1 2.201 0.04 . 1 . . . . 3 GLN HG2 . 15300 1 13 . 1 1 3 3 GLN HG3 H 1 2.201 0.04 . 1 . . . . 3 GLN HG3 . 15300 1 14 . 1 1 3 3 GLN C C 13 173.862 0.4 . 1 . . . . 3 GLN C . 15300 1 15 . 1 1 3 3 GLN CA C 13 58.877 0.4 . 1 . . . . 3 GLN CA . 15300 1 16 . 1 1 3 3 GLN CB C 13 32.064 0.4 . 1 . . . . 3 GLN CB . 15300 1 17 . 1 1 4 4 SER H H 1 8.360 0.04 . 1 . . . . 4 SER H . 15300 1 18 . 1 1 4 4 SER HA H 1 4.928 0.04 . 1 . . . . 4 SER HA . 15300 1 19 . 1 1 4 4 SER HB2 H 1 4.021 0.04 . 2 . . . . 4 SER HB2 . 15300 1 20 . 1 1 4 4 SER HB3 H 1 3.821 0.04 . 2 . . . . 4 SER HB3 . 15300 1 21 . 1 1 4 4 SER C C 13 172.870 0.4 . 1 . . . . 4 SER C . 15300 1 22 . 1 1 4 4 SER CA C 13 59.654 0.4 . 1 . . . . 4 SER CA . 15300 1 23 . 1 1 4 4 SER CB C 13 67.824 0.4 . 1 . . . . 4 SER CB . 15300 1 24 . 1 1 4 4 SER N N 15 117.220 0.1 . 1 . . . . 4 SER N . 15300 1 25 . 1 1 5 5 CYS H H 1 8.555 0.04 . 1 . . . . 5 CYS H . 15300 1 26 . 1 1 5 5 CYS HA H 1 4.678 0.04 . 1 . . . . 5 CYS HA . 15300 1 27 . 1 1 5 5 CYS HB2 H 1 3.242 0.04 . 2 . . . . 5 CYS HB2 . 15300 1 28 . 1 1 5 5 CYS HB3 H 1 3.033 0.04 . 2 . . . . 5 CYS HB3 . 15300 1 29 . 1 1 5 5 CYS C C 13 176.531 0.4 . 1 . . . . 5 CYS C . 15300 1 30 . 1 1 5 5 CYS CA C 13 62.859 0.4 . 1 . . . . 5 CYS CA . 15300 1 31 . 1 1 5 5 CYS CB C 13 33.750 0.4 . 1 . . . . 5 CYS CB . 15300 1 32 . 1 1 5 5 CYS N N 15 124.855 0.1 . 1 . . . . 5 CYS N . 15300 1 33 . 1 1 6 6 SER H H 1 9.294 0.04 . 1 . . . . 6 SER H . 15300 1 34 . 1 1 6 6 SER HA H 1 4.687 0.04 . 1 . . . . 6 SER HA . 15300 1 35 . 1 1 6 6 SER HB2 H 1 4.125 0.04 . 2 . . . . 6 SER HB2 . 15300 1 36 . 1 1 6 6 SER HB3 H 1 4.028 0.04 . 2 . . . . 6 SER HB3 . 15300 1 37 . 1 1 6 6 SER C C 13 173.237 0.4 . 1 . . . . 6 SER C . 15300 1 38 . 1 1 6 6 SER CA C 13 63.094 0.4 . 1 . . . . 6 SER CA . 15300 1 39 . 1 1 6 6 SER CB C 13 67.568 0.4 . 1 . . . . 6 SER CB . 15300 1 40 . 1 1 6 6 SER N N 15 123.427 0.1 . 1 . . . . 6 SER N . 15300 1 41 . 1 1 7 7 ALA H H 1 9.404 0.04 . 1 . . . . 7 ALA H . 15300 1 42 . 1 1 7 7 ALA HA H 1 3.903 0.04 . 1 . . . . 7 ALA HA . 15300 1 43 . 1 1 7 7 ALA HB1 H 1 1.064 0.04 . 1 . . . . 7 ALA HB1 . 15300 1 44 . 1 1 7 7 ALA HB2 H 1 1.064 0.04 . 1 . . . . 7 ALA HB2 . 15300 1 45 . 1 1 7 7 ALA HB3 H 1 1.064 0.04 . 1 . . . . 7 ALA HB3 . 15300 1 46 . 1 1 7 7 ALA C C 13 177.828 0.4 . 1 . . . . 7 ALA C . 15300 1 47 . 1 1 7 7 ALA CA C 13 55.272 0.4 . 1 . . . . 7 ALA CA . 15300 1 48 . 1 1 7 7 ALA CB C 13 20.562 0.4 . 1 . . . . 7 ALA CB . 15300 1 49 . 1 1 7 7 ALA N N 15 127.344 0.1 . 1 . . . . 7 ALA N . 15300 1 50 . 1 1 8 8 TYR H H 1 8.842 0.04 . 1 . . . . 8 TYR H . 15300 1 51 . 1 1 8 8 TYR HA H 1 4.059 0.04 . 1 . . . . 8 TYR HA . 15300 1 52 . 1 1 8 8 TYR HB2 H 1 2.903 0.04 . 2 . . . . 8 TYR HB2 . 15300 1 53 . 1 1 8 8 TYR HB3 H 1 2.884 0.04 . 2 . . . . 8 TYR HB3 . 15300 1 54 . 1 1 8 8 TYR HD1 H 1 6.891 0.04 . 3 . . . . 8 TYR HD1 . 15300 1 55 . 1 1 8 8 TYR HD2 H 1 6.891 0.04 . 3 . . . . 8 TYR HD2 . 15300 1 56 . 1 1 8 8 TYR HE1 H 1 6.841 0.04 . 3 . . . . 8 TYR HE1 . 15300 1 57 . 1 1 8 8 TYR HE2 H 1 6.841 0.04 . 3 . . . . 8 TYR HE2 . 15300 1 58 . 1 1 8 8 TYR C C 13 177.011 0.4 . 1 . . . . 8 TYR C . 15300 1 59 . 1 1 8 8 TYR CA C 13 62.573 0.4 . 1 . . . . 8 TYR CA . 15300 1 60 . 1 1 8 8 TYR CB C 13 40.524 0.4 . 1 . . . . 8 TYR CB . 15300 1 61 . 1 1 8 8 TYR N N 15 125.697 0.1 . 1 . . . . 8 TYR N . 15300 1 62 . 1 1 9 9 GLY H H 1 8.335 0.04 . 1 . . . . 9 GLY H . 15300 1 63 . 1 1 9 9 GLY HA2 H 1 3.808 0.04 . 2 . . . . 9 GLY HA2 . 15300 1 64 . 1 1 9 9 GLY HA3 H 1 3.285 0.04 . 2 . . . . 9 GLY HA3 . 15300 1 65 . 1 1 9 9 GLY C C 13 172.852 0.4 . 1 . . . . 9 GLY C . 15300 1 66 . 1 1 9 9 GLY CA C 13 47.348 0.4 . 1 . . . . 9 GLY CA . 15300 1 67 . 1 1 9 9 GLY N N 15 115.138 0.1 . 1 . . . . 9 GLY N . 15300 1 68 . 1 1 10 10 CYS H H 1 7.718 0.04 . 1 . . . . 10 CYS H . 15300 1 69 . 1 1 10 10 CYS HA H 1 4.432 0.04 . 1 . . . . 10 CYS HA . 15300 1 70 . 1 1 10 10 CYS HB2 H 1 2.760 0.04 . 2 . . . . 10 CYS HB2 . 15300 1 71 . 1 1 10 10 CYS HB3 H 1 3.137 0.04 . 2 . . . . 10 CYS HB3 . 15300 1 72 . 1 1 10 10 CYS C C 13 176.542 0.4 . 1 . . . . 10 CYS C . 15300 1 73 . 1 1 10 10 CYS CA C 13 62.232 0.4 . 1 . . . . 10 CYS CA . 15300 1 74 . 1 1 10 10 CYS CB C 13 33.171 0.4 . 1 . . . . 10 CYS CB . 15300 1 75 . 1 1 10 10 CYS N N 15 123.023 0.1 . 1 . . . . 10 CYS N . 15300 1 76 . 1 1 11 11 LYS H H 1 8.896 0.04 . 1 . . . . 11 LYS H . 15300 1 77 . 1 1 11 11 LYS HA H 1 4.574 0.04 . 1 . . . . 11 LYS HA . 15300 1 78 . 1 1 11 11 LYS HB2 H 1 2.120 0.04 . 2 . . . . 11 LYS HB2 . 15300 1 79 . 1 1 11 11 LYS HB3 H 1 2.092 0.04 . 2 . . . . 11 LYS HB3 . 15300 1 80 . 1 1 11 11 LYS HD2 H 1 1.755 0.04 . 1 . . . . 11 LYS HD2 . 15300 1 81 . 1 1 11 11 LYS HD3 H 1 1.755 0.04 . 1 . . . . 11 LYS HD3 . 15300 1 82 . 1 1 11 11 LYS HG2 H 1 1.463 0.04 . 1 . . . . 11 LYS HG2 . 15300 1 83 . 1 1 11 11 LYS HG3 H 1 1.463 0.04 . 1 . . . . 11 LYS HG3 . 15300 1 84 . 1 1 11 11 LYS C C 13 176.871 0.4 . 1 . . . . 11 LYS C . 15300 1 85 . 1 1 11 11 LYS CA C 13 57.811 0.4 . 1 . . . . 11 LYS CA . 15300 1 86 . 1 1 11 11 LYS CB C 13 34.315 0.4 . 1 . . . . 11 LYS CB . 15300 1 87 . 1 1 11 11 LYS N N 15 128.932 0.1 . 1 . . . . 11 LYS N . 15300 1 88 . 1 1 12 12 ASN H H 1 8.846 0.04 . 1 . . . . 12 ASN H . 15300 1 89 . 1 1 12 12 ASN HA H 1 4.820 0.04 . 1 . . . . 12 ASN HA . 15300 1 90 . 1 1 12 12 ASN HB2 H 1 3.196 0.04 . 2 . . . . 12 ASN HB2 . 15300 1 91 . 1 1 12 12 ASN HB3 H 1 2.694 0.04 . 2 . . . . 12 ASN HB3 . 15300 1 92 . 1 1 12 12 ASN HD21 H 1 6.677 0.04 . 1 . . . . 12 ASN HD21 . 15300 1 93 . 1 1 12 12 ASN HD22 H 1 6.677 0.04 . 1 . . . . 12 ASN HD22 . 15300 1 94 . 1 1 12 12 ASN C C 13 174.809 0.4 . 1 . . . . 12 ASN C . 15300 1 95 . 1 1 12 12 ASN CA C 13 57.849 0.4 . 1 . . . . 12 ASN CA . 15300 1 96 . 1 1 12 12 ASN CB C 13 40.285 0.4 . 1 . . . . 12 ASN CB . 15300 1 97 . 1 1 12 12 ASN N N 15 122.111 0.1 . 1 . . . . 12 ASN N . 15300 1 98 . 1 1 13 13 ARG H H 1 8.568 0.04 . 1 . . . . 13 ARG H . 15300 1 99 . 1 1 13 13 ARG HA H 1 4.849 0.04 . 1 . . . . 13 ARG HA . 15300 1 100 . 1 1 13 13 ARG HB2 H 1 1.783 0.04 . 2 . . . . 13 ARG HB2 . 15300 1 101 . 1 1 13 13 ARG HB3 H 1 1.692 0.04 . 2 . . . . 13 ARG HB3 . 15300 1 102 . 1 1 13 13 ARG HD2 H 1 3.960 0.04 . 1 . . . . 13 ARG HD2 . 15300 1 103 . 1 1 13 13 ARG HD3 H 1 3.960 0.04 . 1 . . . . 13 ARG HD3 . 15300 1 104 . 1 1 13 13 ARG HG2 H 1 1.297 0.04 . 1 . . . . 13 ARG HG2 . 15300 1 105 . 1 1 13 13 ARG HG3 H 1 1.297 0.04 . 1 . . . . 13 ARG HG3 . 15300 1 106 . 1 1 13 13 ARG C C 13 175.648 0.4 . 1 . . . . 13 ARG C . 15300 1 107 . 1 1 13 13 ARG CA C 13 56.668 0.4 . 1 . . . . 13 ARG CA . 15300 1 108 . 1 1 13 13 ARG CB C 13 35.603 0.4 . 1 . . . . 13 ARG CB . 15300 1 109 . 1 1 13 13 ARG N N 15 121.364 0.1 . 1 . . . . 13 ARG N . 15300 1 110 . 1 1 14 14 TYR H H 1 7.906 0.04 . 1 . . . . 14 TYR H . 15300 1 111 . 1 1 14 14 TYR HA H 1 3.778 0.04 . 1 . . . . 14 TYR HA . 15300 1 112 . 1 1 14 14 TYR HB2 H 1 2.521 0.04 . 2 . . . . 14 TYR HB2 . 15300 1 113 . 1 1 14 14 TYR HB3 H 1 2.238 0.04 . 2 . . . . 14 TYR HB3 . 15300 1 114 . 1 1 14 14 TYR HD1 H 1 7.036 0.04 . 3 . . . . 14 TYR HD1 . 15300 1 115 . 1 1 14 14 TYR HD2 H 1 7.036 0.04 . 3 . . . . 14 TYR HD2 . 15300 1 116 . 1 1 14 14 TYR HE1 H 1 6.898 0.04 . 3 . . . . 14 TYR HE1 . 15300 1 117 . 1 1 14 14 TYR HE2 H 1 6.898 0.04 . 3 . . . . 14 TYR HE2 . 15300 1 118 . 1 1 14 14 TYR C C 13 174.097 0.4 . 1 . . . . 14 TYR C . 15300 1 119 . 1 1 14 14 TYR CA C 13 63.522 0.4 . 1 . . . . 14 TYR CA . 15300 1 120 . 1 1 14 14 TYR CB C 13 40.397 0.4 . 1 . . . . 14 TYR CB . 15300 1 121 . 1 1 14 14 TYR N N 15 122.820 0.1 . 1 . . . . 14 TYR N . 15300 1 122 . 1 1 15 15 ASP H H 1 7.273 0.04 . 1 . . . . 15 ASP H . 15300 1 123 . 1 1 15 15 ASP HA H 1 4.283 0.04 . 1 . . . . 15 ASP HA . 15300 1 124 . 1 1 15 15 ASP HB2 H 1 2.540 0.04 . 2 . . . . 15 ASP HB2 . 15300 1 125 . 1 1 15 15 ASP HB3 H 1 2.497 0.04 . 2 . . . . 15 ASP HB3 . 15300 1 126 . 1 1 15 15 ASP CA C 13 55.146 0.4 . 1 . . . . 15 ASP CA . 15300 1 127 . 1 1 15 15 ASP CB C 13 45.806 0.4 . 1 . . . . 15 ASP CB . 15300 1 128 . 1 1 15 15 ASP N N 15 127.546 0.1 . 1 . . . . 15 ASP N . 15300 1 129 . 1 1 16 16 LYS H H 1 8.685 0.04 . 1 . . . . 16 LYS H . 15300 1 130 . 1 1 16 16 LYS HA H 1 4.047 0.04 . 1 . . . . 16 LYS HA . 15300 1 131 . 1 1 16 16 LYS HB2 H 1 1.857 0.04 . 2 . . . . 16 LYS HB2 . 15300 1 132 . 1 1 16 16 LYS HB3 H 1 1.831 0.04 . 2 . . . . 16 LYS HB3 . 15300 1 133 . 1 1 16 16 LYS HD2 H 1 1.452 0.04 . 1 . . . . 16 LYS HD2 . 15300 1 134 . 1 1 16 16 LYS HD3 H 1 1.452 0.04 . 1 . . . . 16 LYS HD3 . 15300 1 135 . 1 1 16 16 LYS HE2 H 1 2.977 0.04 . 1 . . . . 16 LYS HE2 . 15300 1 136 . 1 1 16 16 LYS HE3 H 1 2.977 0.04 . 1 . . . . 16 LYS HE3 . 15300 1 137 . 1 1 16 16 LYS HG2 H 1 1.369 0.04 . 1 . . . . 16 LYS HG2 . 15300 1 138 . 1 1 16 16 LYS HG3 H 1 1.369 0.04 . 1 . . . . 16 LYS HG3 . 15300 1 139 . 1 1 16 16 LYS C C 13 176.277 0.4 . 1 . . . . 16 LYS C . 15300 1 140 . 1 1 16 16 LYS CA C 13 60.555 0.4 . 1 . . . . 16 LYS CA . 15300 1 141 . 1 1 16 16 LYS CB C 13 34.128 0.4 . 1 . . . . 16 LYS CB . 15300 1 142 . 1 1 16 16 LYS N N 15 126.907 0.1 . 1 . . . . 16 LYS N . 15300 1 143 . 1 1 17 17 ASP H H 1 8.629 0.04 . 1 . . . . 17 ASP H . 15300 1 144 . 1 1 17 17 ASP HA H 1 4.774 0.04 . 1 . . . . 17 ASP HA . 15300 1 145 . 1 1 17 17 ASP HB2 H 1 2.843 0.04 . 2 . . . . 17 ASP HB2 . 15300 1 146 . 1 1 17 17 ASP HB3 H 1 2.525 0.04 . 2 . . . . 17 ASP HB3 . 15300 1 147 . 1 1 17 17 ASP C C 13 175.655 0.4 . 1 . . . . 17 ASP C . 15300 1 148 . 1 1 17 17 ASP CA C 13 56.958 0.4 . 1 . . . . 17 ASP CA . 15300 1 149 . 1 1 17 17 ASP CB C 13 43.746 0.4 . 1 . . . . 17 ASP CB . 15300 1 150 . 1 1 17 17 ASP N N 15 118.737 0.1 . 1 . . . . 17 ASP N . 15300 1 151 . 1 1 18 18 LYS H H 1 7.830 0.04 . 1 . . . . 18 LYS H . 15300 1 152 . 1 1 18 18 LYS HA H 1 4.845 0.04 . 1 . . . . 18 LYS HA . 15300 1 153 . 1 1 18 18 LYS HB2 H 1 1.874 0.04 . 2 . . . . 18 LYS HB2 . 15300 1 154 . 1 1 18 18 LYS HB3 H 1 1.836 0.04 . 2 . . . . 18 LYS HB3 . 15300 1 155 . 1 1 18 18 LYS HD2 H 1 1.304 0.04 . 1 . . . . 18 LYS HD2 . 15300 1 156 . 1 1 18 18 LYS HD3 H 1 1.304 0.04 . 1 . . . . 18 LYS HD3 . 15300 1 157 . 1 1 18 18 LYS HE2 H 1 2.969 0.04 . 1 . . . . 18 LYS HE2 . 15300 1 158 . 1 1 18 18 LYS HE3 H 1 2.969 0.04 . 1 . . . . 18 LYS HE3 . 15300 1 159 . 1 1 18 18 LYS HG2 H 1 1.289 0.04 . 1 . . . . 18 LYS HG2 . 15300 1 160 . 1 1 18 18 LYS HG3 H 1 1.289 0.04 . 1 . . . . 18 LYS HG3 . 15300 1 161 . 1 1 18 18 LYS N N 15 120.336 0.1 . 1 . . . . 18 LYS N . 15300 1 162 . 1 1 19 19 PRO HA H 1 4.637 0.04 . 1 . . . . 19 PRO HA . 15300 1 163 . 1 1 19 19 PRO HB2 H 1 2.221 0.04 . 2 . . . . 19 PRO HB2 . 15300 1 164 . 1 1 19 19 PRO HB3 H 1 2.046 0.04 . 2 . . . . 19 PRO HB3 . 15300 1 165 . 1 1 19 19 PRO HD2 H 1 3.703 0.04 . 2 . . . . 19 PRO HD2 . 15300 1 166 . 1 1 19 19 PRO HD3 H 1 3.677 0.04 . 2 . . . . 19 PRO HD3 . 15300 1 167 . 1 1 19 19 PRO HG2 H 1 1.955 0.04 . 2 . . . . 19 PRO HG2 . 15300 1 168 . 1 1 19 19 PRO HG3 H 1 1.846 0.04 . 2 . . . . 19 PRO HG3 . 15300 1 169 . 1 1 19 19 PRO C C 13 175.880 0.4 . 1 . . . . 19 PRO C . 15300 1 170 . 1 1 20 20 VAL H H 1 7.257 0.04 . 1 . . . . 20 VAL H . 15300 1 171 . 1 1 20 20 VAL HA H 1 3.848 0.04 . 1 . . . . 20 VAL HA . 15300 1 172 . 1 1 20 20 VAL HB H 1 1.907 0.04 . 1 . . . . 20 VAL HB . 15300 1 173 . 1 1 20 20 VAL HG11 H 1 0.835 0.04 . 2 . . . . 20 VAL HG11 . 15300 1 174 . 1 1 20 20 VAL HG12 H 1 0.835 0.04 . 2 . . . . 20 VAL HG12 . 15300 1 175 . 1 1 20 20 VAL HG13 H 1 0.835 0.04 . 2 . . . . 20 VAL HG13 . 15300 1 176 . 1 1 20 20 VAL HG21 H 1 0.798 0.04 . 2 . . . . 20 VAL HG21 . 15300 1 177 . 1 1 20 20 VAL HG22 H 1 0.798 0.04 . 2 . . . . 20 VAL HG22 . 15300 1 178 . 1 1 20 20 VAL HG23 H 1 0.798 0.04 . 2 . . . . 20 VAL HG23 . 15300 1 179 . 1 1 20 20 VAL C C 13 175.344 0.4 . 1 . . . . 20 VAL C . 15300 1 180 . 1 1 20 20 VAL CA C 13 65.263 0.4 . 1 . . . . 20 VAL CA . 15300 1 181 . 1 1 20 20 VAL CB C 13 35.627 0.4 . 1 . . . . 20 VAL CB . 15300 1 182 . 1 1 20 20 VAL N N 15 122.606 0.1 . 1 . . . . 20 VAL N . 15300 1 183 . 1 1 21 21 SER H H 1 8.560 0.04 . 1 . . . . 21 SER H . 15300 1 184 . 1 1 21 21 SER HA H 1 4.967 0.04 . 1 . . . . 21 SER HA . 15300 1 185 . 1 1 21 21 SER HB2 H 1 3.955 0.04 . 2 . . . . 21 SER HB2 . 15300 1 186 . 1 1 21 21 SER HB3 H 1 3.753 0.04 . 2 . . . . 21 SER HB3 . 15300 1 187 . 1 1 21 21 SER C C 13 172.466 0.4 . 1 . . . . 21 SER C . 15300 1 188 . 1 1 21 21 SER CA C 13 58.753 0.4 . 1 . . . . 21 SER CA . 15300 1 189 . 1 1 21 21 SER CB C 13 67.546 0.4 . 1 . . . . 21 SER CB . 15300 1 190 . 1 1 21 21 SER N N 15 122.480 0.1 . 1 . . . . 21 SER N . 15300 1 191 . 1 1 22 22 PHE H H 1 8.585 0.04 . 1 . . . . 22 PHE H . 15300 1 192 . 1 1 22 22 PHE HA H 1 4.417 0.04 . 1 . . . . 22 PHE HA . 15300 1 193 . 1 1 22 22 PHE HB2 H 1 2.748 0.04 . 1 . . . . 22 PHE HB2 . 15300 1 194 . 1 1 22 22 PHE HB3 H 1 2.748 0.04 . 1 . . . . 22 PHE HB3 . 15300 1 195 . 1 1 22 22 PHE HD1 H 1 7.160 0.04 . 3 . . . . 22 PHE HD1 . 15300 1 196 . 1 1 22 22 PHE HD2 H 1 7.160 0.04 . 3 . . . . 22 PHE HD2 . 15300 1 197 . 1 1 22 22 PHE HE1 H 1 7.122 0.04 . 3 . . . . 22 PHE HE1 . 15300 1 198 . 1 1 22 22 PHE HE2 H 1 7.122 0.04 . 3 . . . . 22 PHE HE2 . 15300 1 199 . 1 1 22 22 PHE HZ H 1 6.679 0.04 . 1 . . . . 22 PHE HZ . 15300 1 200 . 1 1 22 22 PHE C C 13 174.898 0.4 . 1 . . . . 22 PHE C . 15300 1 201 . 1 1 22 22 PHE CA C 13 60.588 0.4 . 1 . . . . 22 PHE CA . 15300 1 202 . 1 1 22 22 PHE CB C 13 43.476 0.4 . 1 . . . . 22 PHE CB . 15300 1 203 . 1 1 22 22 PHE N N 15 117.990 0.1 . 1 . . . . 22 PHE N . 15300 1 204 . 1 1 23 23 HIS H H 1 8.450 0.04 . 1 . . . . 23 HIS H . 15300 1 205 . 1 1 23 23 HIS HA H 1 4.756 0.04 . 1 . . . . 23 HIS HA . 15300 1 206 . 1 1 23 23 HIS HB2 H 1 3.364 0.04 . 2 . . . . 23 HIS HB2 . 15300 1 207 . 1 1 23 23 HIS HB3 H 1 3.319 0.04 . 2 . . . . 23 HIS HB3 . 15300 1 208 . 1 1 23 23 HIS HD2 H 1 5.462 0.04 . 1 . . . . 23 HIS HD2 . 15300 1 209 . 1 1 23 23 HIS HE1 H 1 9.551 0.04 . 1 . . . . 23 HIS HE1 . 15300 1 210 . 1 1 23 23 HIS C C 13 174.752 0.4 . 1 . . . . 23 HIS C . 15300 1 211 . 1 1 23 23 HIS CA C 13 57.078 0.4 . 1 . . . . 23 HIS CA . 15300 1 212 . 1 1 23 23 HIS CB C 13 33.346 0.4 . 1 . . . . 23 HIS CB . 15300 1 213 . 1 1 23 23 HIS N N 15 123.847 0.1 . 1 . . . . 23 HIS N . 15300 1 214 . 1 1 24 24 LYS H H 1 8.815 0.04 . 1 . . . . 24 LYS H . 15300 1 215 . 1 1 24 24 LYS HA H 1 4.864 0.04 . 1 . . . . 24 LYS HA . 15300 1 216 . 1 1 24 24 LYS HB2 H 1 2.194 0.04 . 2 . . . . 24 LYS HB2 . 15300 1 217 . 1 1 24 24 LYS HB3 H 1 1.841 0.04 . 2 . . . . 24 LYS HB3 . 15300 1 218 . 1 1 24 24 LYS HE2 H 1 3.104 0.04 . 1 . . . . 24 LYS HE2 . 15300 1 219 . 1 1 24 24 LYS HE3 H 1 3.104 0.04 . 1 . . . . 24 LYS HE3 . 15300 1 220 . 1 1 24 24 LYS HG2 H 1 1.633 0.04 . 1 . . . . 24 LYS HG2 . 15300 1 221 . 1 1 24 24 LYS HG3 H 1 1.633 0.04 . 1 . . . . 24 LYS HG3 . 15300 1 222 . 1 1 24 24 LYS C C 13 176.411 0.4 . 1 . . . . 24 LYS C . 15300 1 223 . 1 1 24 24 LYS CA C 13 58.461 0.4 . 1 . . . . 24 LYS CA . 15300 1 224 . 1 1 24 24 LYS CB C 13 34.864 0.4 . 1 . . . . 24 LYS CB . 15300 1 225 . 1 1 24 24 LYS N N 15 125.030 0.1 . 1 . . . . 24 LYS N . 15300 1 226 . 1 1 25 25 PHE H H 1 8.365 0.04 . 1 . . . . 25 PHE H . 15300 1 227 . 1 1 25 25 PHE HA H 1 4.008 0.04 . 1 . . . . 25 PHE HA . 15300 1 228 . 1 1 25 25 PHE HB2 H 1 3.102 0.04 . 1 . . . . 25 PHE HB2 . 15300 1 229 . 1 1 25 25 PHE HB3 H 1 3.102 0.04 . 1 . . . . 25 PHE HB3 . 15300 1 230 . 1 1 25 25 PHE HD1 H 1 7.622 0.04 . 3 . . . . 25 PHE HD1 . 15300 1 231 . 1 1 25 25 PHE HD2 H 1 7.622 0.04 . 3 . . . . 25 PHE HD2 . 15300 1 232 . 1 1 25 25 PHE HE1 H 1 7.385 0.04 . 3 . . . . 25 PHE HE1 . 15300 1 233 . 1 1 25 25 PHE HE2 H 1 7.385 0.04 . 3 . . . . 25 PHE HE2 . 15300 1 234 . 1 1 25 25 PHE HZ H 1 7.336 0.04 . 1 . . . . 25 PHE HZ . 15300 1 235 . 1 1 25 25 PHE C C 13 176.329 0.4 . 1 . . . . 25 PHE C . 15300 1 236 . 1 1 25 25 PHE CA C 13 58.507 0.4 . 1 . . . . 25 PHE CA . 15300 1 237 . 1 1 25 25 PHE CB C 13 40.563 0.4 . 1 . . . . 25 PHE CB . 15300 1 238 . 1 1 25 25 PHE N N 15 118.881 0.1 . 1 . . . . 25 PHE N . 15300 1 239 . 1 1 26 26 PRO HA H 1 4.696 0.04 . 1 . . . . 26 PRO HA . 15300 1 240 . 1 1 26 26 PRO HB2 H 1 2.080 0.04 . 2 . . . . 26 PRO HB2 . 15300 1 241 . 1 1 26 26 PRO HB3 H 1 1.599 0.04 . 2 . . . . 26 PRO HB3 . 15300 1 242 . 1 1 26 26 PRO HG2 H 1 1.530 0.04 . 2 . . . . 26 PRO HG2 . 15300 1 243 . 1 1 26 26 PRO HG3 H 1 1.503 0.04 . 2 . . . . 26 PRO HG3 . 15300 1 244 . 1 1 26 26 PRO C C 13 176.098 0.4 . 1 . . . . 26 PRO C . 15300 1 245 . 1 1 26 26 PRO CA C 13 63.501 0.4 . 1 . . . . 26 PRO CA . 15300 1 246 . 1 1 26 26 PRO CB C 13 29.571 0.4 . 1 . . . . 26 PRO CB . 15300 1 247 . 1 1 27 27 LEU H H 1 8.005 0.04 . 1 . . . . 27 LEU H . 15300 1 248 . 1 1 27 27 LEU HA H 1 4.346 0.04 . 1 . . . . 27 LEU HA . 15300 1 249 . 1 1 27 27 LEU HB2 H 1 2.040 0.04 . 2 . . . . 27 LEU HB2 . 15300 1 250 . 1 1 27 27 LEU HB3 H 1 2.021 0.04 . 2 . . . . 27 LEU HB3 . 15300 1 251 . 1 1 27 27 LEU HD11 H 1 0.928 0.04 . 2 . . . . 27 LEU HD11 . 15300 1 252 . 1 1 27 27 LEU HD12 H 1 0.928 0.04 . 2 . . . . 27 LEU HD12 . 15300 1 253 . 1 1 27 27 LEU HD13 H 1 0.928 0.04 . 2 . . . . 27 LEU HD13 . 15300 1 254 . 1 1 27 27 LEU HD21 H 1 0.895 0.04 . 2 . . . . 27 LEU HD21 . 15300 1 255 . 1 1 27 27 LEU HD22 H 1 0.895 0.04 . 2 . . . . 27 LEU HD22 . 15300 1 256 . 1 1 27 27 LEU HD23 H 1 0.895 0.04 . 2 . . . . 27 LEU HD23 . 15300 1 257 . 1 1 27 27 LEU HG H 1 1.570 0.04 . 1 . . . . 27 LEU HG . 15300 1 258 . 1 1 27 27 LEU C C 13 178.772 0.4 . 1 . . . . 27 LEU C . 15300 1 259 . 1 1 27 27 LEU CA C 13 60.433 0.4 . 1 . . . . 27 LEU CA . 15300 1 260 . 1 1 27 27 LEU CB C 13 44.542 0.4 . 1 . . . . 27 LEU CB . 15300 1 261 . 1 1 27 27 LEU N N 15 122.470 0.1 . 1 . . . . 27 LEU N . 15300 1 262 . 1 1 28 28 THR H H 1 7.693 0.04 . 1 . . . . 28 THR H . 15300 1 263 . 1 1 28 28 THR HA H 1 4.295 0.04 . 1 . . . . 28 THR HA . 15300 1 264 . 1 1 28 28 THR HB H 1 4.565 0.04 . 1 . . . . 28 THR HB . 15300 1 265 . 1 1 28 28 THR HG21 H 1 1.207 0.04 . 1 . . . . 28 THR HG21 . 15300 1 266 . 1 1 28 28 THR HG22 H 1 1.207 0.04 . 1 . . . . 28 THR HG22 . 15300 1 267 . 1 1 28 28 THR HG23 H 1 1.207 0.04 . 1 . . . . 28 THR HG23 . 15300 1 268 . 1 1 28 28 THR C C 13 174.004 0.4 . 1 . . . . 28 THR C . 15300 1 269 . 1 1 28 28 THR CA C 13 64.103 0.4 . 1 . . . . 28 THR CA . 15300 1 270 . 1 1 28 28 THR CB C 13 71.021 0.4 . 1 . . . . 28 THR CB . 15300 1 271 . 1 1 28 28 THR N N 15 104.312 0.1 . 1 . . . . 28 THR N . 15300 1 272 . 1 1 29 29 ARG H H 1 7.713 0.04 . 1 . . . . 29 ARG H . 15300 1 273 . 1 1 29 29 ARG HA H 1 4.941 0.04 . 1 . . . . 29 ARG HA . 15300 1 274 . 1 1 29 29 ARG HB2 H 1 1.977 0.04 . 2 . . . . 29 ARG HB2 . 15300 1 275 . 1 1 29 29 ARG HB3 H 1 1.835 0.04 . 2 . . . . 29 ARG HB3 . 15300 1 276 . 1 1 29 29 ARG HD2 H 1 3.197 0.04 . 1 . . . . 29 ARG HD2 . 15300 1 277 . 1 1 29 29 ARG HD3 H 1 3.197 0.04 . 1 . . . . 29 ARG HD3 . 15300 1 278 . 1 1 29 29 ARG HG2 H 1 1.576 0.04 . 1 . . . . 29 ARG HG2 . 15300 1 279 . 1 1 29 29 ARG HG3 H 1 1.576 0.04 . 1 . . . . 29 ARG HG3 . 15300 1 280 . 1 1 29 29 ARG CA C 13 55.427 0.4 . 1 . . . . 29 ARG CA . 15300 1 281 . 1 1 29 29 ARG CB C 13 33.003 0.4 . 1 . . . . 29 ARG CB . 15300 1 282 . 1 1 29 29 ARG N N 15 123.085 0.1 . 1 . . . . 29 ARG N . 15300 1 283 . 1 1 30 30 PRO HA H 1 4.119 0.04 . 1 . . . . 30 PRO HA . 15300 1 284 . 1 1 30 30 PRO HB2 H 1 2.432 0.04 . 2 . . . . 30 PRO HB2 . 15300 1 285 . 1 1 30 30 PRO HB3 H 1 2.155 0.04 . 2 . . . . 30 PRO HB3 . 15300 1 286 . 1 1 30 30 PRO HD2 H 1 3.825 0.04 . 2 . . . . 30 PRO HD2 . 15300 1 287 . 1 1 30 30 PRO HD3 H 1 3.605 0.04 . 2 . . . . 30 PRO HD3 . 15300 1 288 . 1 1 30 30 PRO HG2 H 1 2.012 0.04 . 1 . . . . 30 PRO HG2 . 15300 1 289 . 1 1 30 30 PRO HG3 H 1 2.012 0.04 . 1 . . . . 30 PRO HG3 . 15300 1 290 . 1 1 31 31 SER HA H 1 4.123 0.04 . 1 . . . . 31 SER HA . 15300 1 291 . 1 1 31 31 SER HB2 H 1 3.951 0.04 . 1 . . . . 31 SER HB2 . 15300 1 292 . 1 1 31 31 SER HB3 H 1 3.951 0.04 . 1 . . . . 31 SER HB3 . 15300 1 293 . 1 1 31 31 SER C C 13 176.542 0.4 . 1 . . . . 31 SER C . 15300 1 294 . 1 1 31 31 SER CA C 13 63.845 0.4 . 1 . . . . 31 SER CA . 15300 1 295 . 1 1 31 31 SER CB C 13 63.850 0.4 . 1 . . . . 31 SER CB . 15300 1 296 . 1 1 32 32 LEU H H 1 7.264 0.04 . 1 . . . . 32 LEU H . 15300 1 297 . 1 1 32 32 LEU HA H 1 4.462 0.04 . 1 . . . . 32 LEU HA . 15300 1 298 . 1 1 32 32 LEU HB2 H 1 1.632 0.04 . 2 . . . . 32 LEU HB2 . 15300 1 299 . 1 1 32 32 LEU HB3 H 1 1.799 0.04 . 2 . . . . 32 LEU HB3 . 15300 1 300 . 1 1 32 32 LEU HD11 H 1 1.077 0.04 . 2 . . . . 32 LEU HD11 . 15300 1 301 . 1 1 32 32 LEU HD12 H 1 1.077 0.04 . 2 . . . . 32 LEU HD12 . 15300 1 302 . 1 1 32 32 LEU HD13 H 1 1.077 0.04 . 2 . . . . 32 LEU HD13 . 15300 1 303 . 1 1 32 32 LEU HD21 H 1 1.058 0.04 . 2 . . . . 32 LEU HD21 . 15300 1 304 . 1 1 32 32 LEU HD22 H 1 1.058 0.04 . 2 . . . . 32 LEU HD22 . 15300 1 305 . 1 1 32 32 LEU HD23 H 1 1.058 0.04 . 2 . . . . 32 LEU HD23 . 15300 1 306 . 1 1 32 32 LEU HG H 1 1.571 0.04 . 1 . . . . 32 LEU HG . 15300 1 307 . 1 1 32 32 LEU C C 13 178.761 0.4 . 1 . . . . 32 LEU C . 15300 1 308 . 1 1 32 32 LEU CA C 13 59.077 0.4 . 1 . . . . 32 LEU CA . 15300 1 309 . 1 1 32 32 LEU CB C 13 44.813 0.4 . 1 . . . . 32 LEU CB . 15300 1 310 . 1 1 32 32 LEU N N 15 125.170 0.1 . 1 . . . . 32 LEU N . 15300 1 311 . 1 1 33 33 CYS H H 1 8.963 0.04 . 1 . . . . 33 CYS H . 15300 1 312 . 1 1 33 33 CYS HA H 1 3.686 0.04 . 1 . . . . 33 CYS HA . 15300 1 313 . 1 1 33 33 CYS HB2 H 1 2.853 0.04 . 2 . . . . 33 CYS HB2 . 15300 1 314 . 1 1 33 33 CYS HB3 H 1 2.826 0.04 . 2 . . . . 33 CYS HB3 . 15300 1 315 . 1 1 33 33 CYS C C 13 177.278 0.4 . 1 . . . . 33 CYS C . 15300 1 316 . 1 1 33 33 CYS CA C 13 66.849 0.4 . 1 . . . . 33 CYS CA . 15300 1 317 . 1 1 33 33 CYS CB C 13 28.200 0.4 . 1 . . . . 33 CYS CB . 15300 1 318 . 1 1 33 33 CYS N N 15 120.438 0.1 . 1 . . . . 33 CYS N . 15300 1 319 . 1 1 34 34 LYS H H 1 8.166 0.04 . 1 . . . . 34 LYS H . 15300 1 320 . 1 1 34 34 LYS HA H 1 4.190 0.04 . 1 . . . . 34 LYS HA . 15300 1 321 . 1 1 34 34 LYS HB2 H 1 2.052 0.04 . 2 . . . . 34 LYS HB2 . 15300 1 322 . 1 1 34 34 LYS HB3 H 1 1.993 0.04 . 2 . . . . 34 LYS HB3 . 15300 1 323 . 1 1 34 34 LYS HD2 H 1 0.926 0.04 . 1 . . . . 34 LYS HD2 . 15300 1 324 . 1 1 34 34 LYS HD3 H 1 0.926 0.04 . 1 . . . . 34 LYS HD3 . 15300 1 325 . 1 1 34 34 LYS HG2 H 1 0.793 0.04 . 1 . . . . 34 LYS HG2 . 15300 1 326 . 1 1 34 34 LYS HG3 H 1 0.793 0.04 . 1 . . . . 34 LYS HG3 . 15300 1 327 . 1 1 34 34 LYS C C 13 179.592 0.4 . 1 . . . . 34 LYS C . 15300 1 328 . 1 1 34 34 LYS CA C 13 62.016 0.4 . 1 . . . . 34 LYS CA . 15300 1 329 . 1 1 34 34 LYS CB C 13 34.024 0.4 . 1 . . . . 34 LYS CB . 15300 1 330 . 1 1 34 34 LYS N N 15 117.700 0.1 . 1 . . . . 34 LYS N . 15300 1 331 . 1 1 35 35 GLU H H 1 7.582 0.04 . 1 . . . . 35 GLU H . 15300 1 332 . 1 1 35 35 GLU HA H 1 4.364 0.04 . 1 . . . . 35 GLU HA . 15300 1 333 . 1 1 35 35 GLU HB2 H 1 2.378 0.04 . 1 . . . . 35 GLU HB2 . 15300 1 334 . 1 1 35 35 GLU HB3 H 1 2.378 0.04 . 1 . . . . 35 GLU HB3 . 15300 1 335 . 1 1 35 35 GLU HG2 H 1 2.614 0.04 . 2 . . . . 35 GLU HG2 . 15300 1 336 . 1 1 35 35 GLU HG3 H 1 2.589 0.04 . 2 . . . . 35 GLU HG3 . 15300 1 337 . 1 1 35 35 GLU C C 13 180.551 0.4 . 1 . . . . 35 GLU C . 15300 1 338 . 1 1 35 35 GLU CA C 13 61.517 0.4 . 1 . . . . 35 GLU CA . 15300 1 339 . 1 1 35 35 GLU CB C 13 32.057 0.4 . 1 . . . . 35 GLU CB . 15300 1 340 . 1 1 35 35 GLU N N 15 119.740 0.1 . 1 . . . . 35 GLU N . 15300 1 341 . 1 1 36 36 TRP H H 1 8.515 0.04 . 1 . . . . 36 TRP H . 15300 1 342 . 1 1 36 36 TRP HA H 1 4.120 0.04 . 1 . . . . 36 TRP HA . 15300 1 343 . 1 1 36 36 TRP HB2 H 1 3.102 0.04 . 2 . . . . 36 TRP HB2 . 15300 1 344 . 1 1 36 36 TRP HB3 H 1 3.700 0.04 . 2 . . . . 36 TRP HB3 . 15300 1 345 . 1 1 36 36 TRP HE1 H 1 10.481 0.04 . 1 . . . . 36 TRP HE1 . 15300 1 346 . 1 1 36 36 TRP HE3 H 1 7.442 0.04 . 1 . . . . 36 TRP HE3 . 15300 1 347 . 1 1 36 36 TRP HH2 H 1 6.767 0.04 . 1 . . . . 36 TRP HH2 . 15300 1 348 . 1 1 36 36 TRP HZ2 H 1 6.964 0.04 . 1 . . . . 36 TRP HZ2 . 15300 1 349 . 1 1 36 36 TRP HZ3 H 1 5.966 0.04 . 1 . . . . 36 TRP HZ3 . 15300 1 350 . 1 1 36 36 TRP C C 13 178.247 0.4 . 1 . . . . 36 TRP C . 15300 1 351 . 1 1 36 36 TRP CA C 13 64.411 0.4 . 1 . . . . 36 TRP CA . 15300 1 352 . 1 1 36 36 TRP CB C 13 30.856 0.4 . 1 . . . . 36 TRP CB . 15300 1 353 . 1 1 36 36 TRP N N 15 122.166 0.1 . 1 . . . . 36 TRP N . 15300 1 354 . 1 1 36 36 TRP NE1 N 15 128.629 0.1 . 1 . . . . 36 TRP NE1 . 15300 1 355 . 1 1 37 37 GLU H H 1 9.117 0.04 . 1 . . . . 37 GLU H . 15300 1 356 . 1 1 37 37 GLU HA H 1 4.121 0.04 . 1 . . . . 37 GLU HA . 15300 1 357 . 1 1 37 37 GLU HB2 H 1 2.390 0.04 . 2 . . . . 37 GLU HB2 . 15300 1 358 . 1 1 37 37 GLU HB3 H 1 2.352 0.04 . 2 . . . . 37 GLU HB3 . 15300 1 359 . 1 1 37 37 GLU HG2 H 1 2.884 0.04 . 1 . . . . 37 GLU HG2 . 15300 1 360 . 1 1 37 37 GLU HG3 H 1 2.884 0.04 . 1 . . . . 37 GLU HG3 . 15300 1 361 . 1 1 37 37 GLU C C 13 179.276 0.4 . 1 . . . . 37 GLU C . 15300 1 362 . 1 1 37 37 GLU CA C 13 63.027 0.4 . 1 . . . . 37 GLU CA . 15300 1 363 . 1 1 37 37 GLU CB C 13 32.552 0.4 . 1 . . . . 37 GLU CB . 15300 1 364 . 1 1 37 37 GLU N N 15 118.363 0.1 . 1 . . . . 37 GLU N . 15300 1 365 . 1 1 38 38 ALA H H 1 8.083 0.04 . 1 . . . . 38 ALA H . 15300 1 366 . 1 1 38 38 ALA HA H 1 4.191 0.04 . 1 . . . . 38 ALA HA . 15300 1 367 . 1 1 38 38 ALA HB1 H 1 1.555 0.04 . 1 . . . . 38 ALA HB1 . 15300 1 368 . 1 1 38 38 ALA HB2 H 1 1.555 0.04 . 1 . . . . 38 ALA HB2 . 15300 1 369 . 1 1 38 38 ALA HB3 H 1 1.555 0.04 . 1 . . . . 38 ALA HB3 . 15300 1 370 . 1 1 38 38 ALA C C 13 179.136 0.4 . 1 . . . . 38 ALA C . 15300 1 371 . 1 1 38 38 ALA CA C 13 56.800 0.4 . 1 . . . . 38 ALA CA . 15300 1 372 . 1 1 38 38 ALA CB C 13 20.064 0.4 . 1 . . . . 38 ALA CB . 15300 1 373 . 1 1 38 38 ALA N N 15 121.765 0.1 . 1 . . . . 38 ALA N . 15300 1 374 . 1 1 39 39 ALA H H 1 7.483 0.04 . 1 . . . . 39 ALA H . 15300 1 375 . 1 1 39 39 ALA HA H 1 3.798 0.04 . 1 . . . . 39 ALA HA . 15300 1 376 . 1 1 39 39 ALA HB1 H 1 1.368 0.04 . 1 . . . . 39 ALA HB1 . 15300 1 377 . 1 1 39 39 ALA HB2 H 1 1.368 0.04 . 1 . . . . 39 ALA HB2 . 15300 1 378 . 1 1 39 39 ALA HB3 H 1 1.368 0.04 . 1 . . . . 39 ALA HB3 . 15300 1 379 . 1 1 39 39 ALA C C 13 177.722 0.4 . 1 . . . . 39 ALA C . 15300 1 380 . 1 1 39 39 ALA CA C 13 56.213 0.4 . 1 . . . . 39 ALA CA . 15300 1 381 . 1 1 39 39 ALA CB C 13 21.288 0.4 . 1 . . . . 39 ALA CB . 15300 1 382 . 1 1 39 39 ALA N N 15 119.893 0.1 . 1 . . . . 39 ALA N . 15300 1 383 . 1 1 40 40 VAL H H 1 7.335 0.04 . 1 . . . . 40 VAL H . 15300 1 384 . 1 1 40 40 VAL HA H 1 3.306 0.04 . 1 . . . . 40 VAL HA . 15300 1 385 . 1 1 40 40 VAL HB H 1 2.126 0.04 . 1 . . . . 40 VAL HB . 15300 1 386 . 1 1 40 40 VAL HG11 H 1 0.829 0.04 . 2 . . . . 40 VAL HG11 . 15300 1 387 . 1 1 40 40 VAL HG12 H 1 0.829 0.04 . 2 . . . . 40 VAL HG12 . 15300 1 388 . 1 1 40 40 VAL HG13 H 1 0.829 0.04 . 2 . . . . 40 VAL HG13 . 15300 1 389 . 1 1 40 40 VAL HG21 H 1 0.623 0.04 . 2 . . . . 40 VAL HG21 . 15300 1 390 . 1 1 40 40 VAL HG22 H 1 0.623 0.04 . 2 . . . . 40 VAL HG22 . 15300 1 391 . 1 1 40 40 VAL HG23 H 1 0.623 0.04 . 2 . . . . 40 VAL HG23 . 15300 1 392 . 1 1 40 40 VAL C C 13 175.982 0.4 . 1 . . . . 40 VAL C . 15300 1 393 . 1 1 40 40 VAL CA C 13 65.864 0.4 . 1 . . . . 40 VAL CA . 15300 1 394 . 1 1 40 40 VAL CB C 13 34.270 0.4 . 1 . . . . 40 VAL CB . 15300 1 395 . 1 1 40 40 VAL N N 15 114.013 0.1 . 1 . . . . 40 VAL N . 15300 1 396 . 1 1 41 41 ARG H H 1 7.323 0.04 . 1 . . . . 41 ARG H . 15300 1 397 . 1 1 41 41 ARG HA H 1 3.777 0.04 . 1 . . . . 41 ARG HA . 15300 1 398 . 1 1 41 41 ARG HB2 H 1 1.688 0.04 . 2 . . . . 41 ARG HB2 . 15300 1 399 . 1 1 41 41 ARG HB3 H 1 1.671 0.04 . 2 . . . . 41 ARG HB3 . 15300 1 400 . 1 1 41 41 ARG HD2 H 1 3.293 0.04 . 1 . . . . 41 ARG HD2 . 15300 1 401 . 1 1 41 41 ARG HD3 H 1 3.293 0.04 . 1 . . . . 41 ARG HD3 . 15300 1 402 . 1 1 41 41 ARG HG2 H 1 1.461 0.04 . 1 . . . . 41 ARG HG2 . 15300 1 403 . 1 1 41 41 ARG HG3 H 1 1.461 0.04 . 1 . . . . 41 ARG HG3 . 15300 1 404 . 1 1 41 41 ARG C C 13 175.171 0.4 . 1 . . . . 41 ARG C . 15300 1 405 . 1 1 41 41 ARG CA C 13 59.214 0.4 . 1 . . . . 41 ARG CA . 15300 1 406 . 1 1 41 41 ARG CB C 13 30.694 0.4 . 1 . . . . 41 ARG CB . 15300 1 407 . 1 1 41 41 ARG N N 15 115.552 0.1 . 1 . . . . 41 ARG N . 15300 1 408 . 1 1 42 42 ARG H H 1 8.242 0.04 . 1 . . . . 42 ARG H . 15300 1 409 . 1 1 42 42 ARG HA H 1 4.562 0.04 . 1 . . . . 42 ARG HA . 15300 1 410 . 1 1 42 42 ARG HB2 H 1 1.630 0.04 . 2 . . . . 42 ARG HB2 . 15300 1 411 . 1 1 42 42 ARG HB3 H 1 1.573 0.04 . 2 . . . . 42 ARG HB3 . 15300 1 412 . 1 1 42 42 ARG HD2 H 1 2.871 0.04 . 1 . . . . 42 ARG HD2 . 15300 1 413 . 1 1 42 42 ARG HD3 H 1 2.871 0.04 . 1 . . . . 42 ARG HD3 . 15300 1 414 . 1 1 42 42 ARG HG2 H 1 1.438 0.04 . 1 . . . . 42 ARG HG2 . 15300 1 415 . 1 1 42 42 ARG HG3 H 1 1.438 0.04 . 1 . . . . 42 ARG HG3 . 15300 1 416 . 1 1 42 42 ARG C C 13 176.369 0.4 . 1 . . . . 42 ARG C . 15300 1 417 . 1 1 42 42 ARG CA C 13 56.741 0.4 . 1 . . . . 42 ARG CA . 15300 1 418 . 1 1 42 42 ARG CB C 13 35.547 0.4 . 1 . . . . 42 ARG CB . 15300 1 419 . 1 1 42 42 ARG N N 15 119.568 0.1 . 1 . . . . 42 ARG N . 15300 1 420 . 1 1 43 43 LYS H H 1 8.987 0.04 . 1 . . . . 43 LYS H . 15300 1 421 . 1 1 43 43 LYS HA H 1 4.139 0.04 . 1 . . . . 43 LYS HA . 15300 1 422 . 1 1 43 43 LYS HB2 H 1 1.812 0.04 . 1 . . . . 43 LYS HB2 . 15300 1 423 . 1 1 43 43 LYS HB3 H 1 1.812 0.04 . 1 . . . . 43 LYS HB3 . 15300 1 424 . 1 1 43 43 LYS HD2 H 1 1.637 0.04 . 1 . . . . 43 LYS HD2 . 15300 1 425 . 1 1 43 43 LYS HD3 H 1 1.637 0.04 . 1 . . . . 43 LYS HD3 . 15300 1 426 . 1 1 43 43 LYS HE2 H 1 2.873 0.04 . 1 . . . . 43 LYS HE2 . 15300 1 427 . 1 1 43 43 LYS HE3 H 1 2.873 0.04 . 1 . . . . 43 LYS HE3 . 15300 1 428 . 1 1 43 43 LYS HG2 H 1 1.085 0.04 . 1 . . . . 43 LYS HG2 . 15300 1 429 . 1 1 43 43 LYS HG3 H 1 1.085 0.04 . 1 . . . . 43 LYS HG3 . 15300 1 430 . 1 1 43 43 LYS C C 13 177.159 0.4 . 1 . . . . 43 LYS C . 15300 1 431 . 1 1 43 43 LYS CA C 13 59.598 0.4 . 1 . . . . 43 LYS CA . 15300 1 432 . 1 1 43 43 LYS CB C 13 35.060 0.4 . 1 . . . . 43 LYS CB . 15300 1 433 . 1 1 43 43 LYS N N 15 125.001 0.1 . 1 . . . . 43 LYS N . 15300 1 434 . 1 1 44 44 ASN H H 1 9.006 0.04 . 1 . . . . 44 ASN H . 15300 1 435 . 1 1 44 44 ASN HA H 1 4.452 0.04 . 1 . . . . 44 ASN HA . 15300 1 436 . 1 1 44 44 ASN HB2 H 1 2.925 0.04 . 2 . . . . 44 ASN HB2 . 15300 1 437 . 1 1 44 44 ASN HB3 H 1 2.974 0.04 . 2 . . . . 44 ASN HB3 . 15300 1 438 . 1 1 44 44 ASN HD21 H 1 7.648 0.04 . 1 . . . . 44 ASN HD21 . 15300 1 439 . 1 1 44 44 ASN HD22 H 1 6.969 0.04 . 1 . . . . 44 ASN HD22 . 15300 1 440 . 1 1 44 44 ASN C C 13 173.834 0.4 . 1 . . . . 44 ASN C . 15300 1 441 . 1 1 44 44 ASN CA C 13 56.419 0.4 . 1 . . . . 44 ASN CA . 15300 1 442 . 1 1 44 44 ASN CB C 13 39.788 0.4 . 1 . . . . 44 ASN CB . 15300 1 443 . 1 1 44 44 ASN N N 15 119.273 0.1 . 1 . . . . 44 ASN N . 15300 1 444 . 1 1 44 44 ASN ND2 N 15 113.291 0.1 . 1 . . . . 44 ASN ND2 . 15300 1 445 . 1 1 45 45 PHE H H 1 7.839 0.04 . 1 . . . . 45 PHE H . 15300 1 446 . 1 1 45 45 PHE HA H 1 4.559 0.04 . 1 . . . . 45 PHE HA . 15300 1 447 . 1 1 45 45 PHE HB2 H 1 2.975 0.04 . 2 . . . . 45 PHE HB2 . 15300 1 448 . 1 1 45 45 PHE HB3 H 1 2.861 0.04 . 2 . . . . 45 PHE HB3 . 15300 1 449 . 1 1 45 45 PHE HD1 H 1 7.161 0.04 . 3 . . . . 45 PHE HD1 . 15300 1 450 . 1 1 45 45 PHE HD2 H 1 7.161 0.04 . 3 . . . . 45 PHE HD2 . 15300 1 451 . 1 1 45 45 PHE HE1 H 1 7.628 0.04 . 3 . . . . 45 PHE HE1 . 15300 1 452 . 1 1 45 45 PHE HE2 H 1 7.628 0.04 . 3 . . . . 45 PHE HE2 . 15300 1 453 . 1 1 45 45 PHE HZ H 1 7.393 0.04 . 1 . . . . 45 PHE HZ . 15300 1 454 . 1 1 45 45 PHE C C 13 173.996 0.4 . 1 . . . . 45 PHE C . 15300 1 455 . 1 1 45 45 PHE CA C 13 60.314 0.4 . 1 . . . . 45 PHE CA . 15300 1 456 . 1 1 45 45 PHE CB C 13 44.028 0.4 . 1 . . . . 45 PHE CB . 15300 1 457 . 1 1 45 45 PHE N N 15 119.864 0.1 . 1 . . . . 45 PHE N . 15300 1 458 . 1 1 46 46 LYS H H 1 7.516 0.04 . 1 . . . . 46 LYS H . 15300 1 459 . 1 1 46 46 LYS HA H 1 4.332 0.04 . 1 . . . . 46 LYS HA . 15300 1 460 . 1 1 46 46 LYS HB2 H 1 1.496 0.04 . 2 . . . . 46 LYS HB2 . 15300 1 461 . 1 1 46 46 LYS HB3 H 1 1.421 0.04 . 2 . . . . 46 LYS HB3 . 15300 1 462 . 1 1 46 46 LYS HD2 H 1 1.271 0.04 . 1 . . . . 46 LYS HD2 . 15300 1 463 . 1 1 46 46 LYS HD3 H 1 1.271 0.04 . 1 . . . . 46 LYS HD3 . 15300 1 464 . 1 1 46 46 LYS HE2 H 1 2.908 0.04 . 1 . . . . 46 LYS HE2 . 15300 1 465 . 1 1 46 46 LYS HE3 H 1 2.908 0.04 . 1 . . . . 46 LYS HE3 . 15300 1 466 . 1 1 46 46 LYS HG2 H 1 1.195 0.04 . 1 . . . . 46 LYS HG2 . 15300 1 467 . 1 1 46 46 LYS HG3 H 1 1.195 0.04 . 1 . . . . 46 LYS HG3 . 15300 1 468 . 1 1 46 46 LYS CA C 13 54.147 0.4 . 1 . . . . 46 LYS CA . 15300 1 469 . 1 1 46 46 LYS CB C 13 36.023 0.4 . 1 . . . . 46 LYS CB . 15300 1 470 . 1 1 46 46 LYS N N 15 129.570 0.1 . 1 . . . . 46 LYS N . 15300 1 471 . 1 1 47 47 PRO HA H 1 3.866 0.04 . 1 . . . . 47 PRO HA . 15300 1 472 . 1 1 47 47 PRO HB2 H 1 1.630 0.04 . 2 . . . . 47 PRO HB2 . 15300 1 473 . 1 1 47 47 PRO HB3 H 1 1.384 0.04 . 2 . . . . 47 PRO HB3 . 15300 1 474 . 1 1 47 47 PRO HD2 H 1 3.429 0.04 . 2 . . . . 47 PRO HD2 . 15300 1 475 . 1 1 47 47 PRO HD3 H 1 2.921 0.04 . 2 . . . . 47 PRO HD3 . 15300 1 476 . 1 1 47 47 PRO HG2 H 1 0.870 0.04 . 1 . . . . 47 PRO HG2 . 15300 1 477 . 1 1 47 47 PRO HG3 H 1 0.870 0.04 . 1 . . . . 47 PRO HG3 . 15300 1 478 . 1 1 47 47 PRO C C 13 175.977 0.4 . 1 . . . . 47 PRO C . 15300 1 479 . 1 1 47 47 PRO CA C 13 63.982 0.4 . 1 . . . . 47 PRO CA . 15300 1 480 . 1 1 47 47 PRO CB C 13 33.507 0.4 . 1 . . . . 47 PRO CB . 15300 1 481 . 1 1 48 48 THR H H 1 8.561 0.04 . 1 . . . . 48 THR H . 15300 1 482 . 1 1 48 48 THR HA H 1 4.586 0.04 . 1 . . . . 48 THR HA . 15300 1 483 . 1 1 48 48 THR HB H 1 4.611 0.04 . 1 . . . . 48 THR HB . 15300 1 484 . 1 1 48 48 THR HG21 H 1 1.203 0.04 . 1 . . . . 48 THR HG21 . 15300 1 485 . 1 1 48 48 THR HG22 H 1 1.203 0.04 . 1 . . . . 48 THR HG22 . 15300 1 486 . 1 1 48 48 THR HG23 H 1 1.203 0.04 . 1 . . . . 48 THR HG23 . 15300 1 487 . 1 1 48 48 THR CA C 13 61.960 0.4 . 1 . . . . 48 THR CA . 15300 1 488 . 1 1 48 48 THR CB C 13 74.925 0.4 . 1 . . . . 48 THR CB . 15300 1 489 . 1 1 48 48 THR N N 15 111.217 0.1 . 1 . . . . 48 THR N . 15300 1 490 . 1 1 49 49 LYS H H 1 8.056 0.04 . 1 . . . . 49 LYS H . 15300 1 491 . 1 1 49 49 LYS HA H 1 4.130 0.04 . 1 . . . . 49 LYS HA . 15300 1 492 . 1 1 49 49 LYS HB2 H 1 1.663 0.04 . 2 . . . . 49 LYS HB2 . 15300 1 493 . 1 1 49 49 LYS HB3 H 1 1.521 0.04 . 2 . . . . 49 LYS HB3 . 15300 1 494 . 1 1 49 49 LYS HD2 H 1 1.026 0.04 . 1 . . . . 49 LYS HD2 . 15300 1 495 . 1 1 49 49 LYS HD3 H 1 1.026 0.04 . 1 . . . . 49 LYS HD3 . 15300 1 496 . 1 1 49 49 LYS HE2 H 1 2.798 0.04 . 1 . . . . 49 LYS HE2 . 15300 1 497 . 1 1 49 49 LYS HE3 H 1 2.798 0.04 . 1 . . . . 49 LYS HE3 . 15300 1 498 . 1 1 49 49 LYS HG2 H 1 0.564 0.04 . 1 . . . . 49 LYS HG2 . 15300 1 499 . 1 1 49 49 LYS HG3 H 1 0.564 0.04 . 1 . . . . 49 LYS HG3 . 15300 1 500 . 1 1 49 49 LYS C C 13 175.445 0.4 . 1 . . . . 49 LYS C . 15300 1 501 . 1 1 49 49 LYS CA C 13 58.551 0.4 . 1 . . . . 49 LYS CA . 15300 1 502 . 1 1 49 49 LYS CB C 13 35.067 0.4 . 1 . . . . 49 LYS CB . 15300 1 503 . 1 1 50 50 TYR H H 1 8.086 0.04 . 1 . . . . 50 TYR H . 15300 1 504 . 1 1 50 50 TYR HA H 1 4.641 0.04 . 1 . . . . 50 TYR HA . 15300 1 505 . 1 1 50 50 TYR HB2 H 1 3.365 0.04 . 2 . . . . 50 TYR HB2 . 15300 1 506 . 1 1 50 50 TYR HB3 H 1 2.670 0.04 . 2 . . . . 50 TYR HB3 . 15300 1 507 . 1 1 50 50 TYR HD1 H 1 7.182 0.04 . 3 . . . . 50 TYR HD1 . 15300 1 508 . 1 1 50 50 TYR HD2 H 1 7.182 0.04 . 3 . . . . 50 TYR HD2 . 15300 1 509 . 1 1 50 50 TYR HE1 H 1 6.865 0.04 . 3 . . . . 50 TYR HE1 . 15300 1 510 . 1 1 50 50 TYR HE2 H 1 6.865 0.04 . 3 . . . . 50 TYR HE2 . 15300 1 511 . 1 1 50 50 TYR C C 13 176.644 0.4 . 1 . . . . 50 TYR C . 15300 1 512 . 1 1 50 50 TYR CA C 13 60.020 0.4 . 1 . . . . 50 TYR CA . 15300 1 513 . 1 1 50 50 TYR CB C 13 40.970 0.4 . 1 . . . . 50 TYR CB . 15300 1 514 . 1 1 50 50 TYR N N 15 116.597 0.1 . 1 . . . . 50 TYR N . 15300 1 515 . 1 1 51 51 SER H H 1 7.645 0.04 . 1 . . . . 51 SER H . 15300 1 516 . 1 1 51 51 SER HA H 1 4.753 0.04 . 1 . . . . 51 SER HA . 15300 1 517 . 1 1 51 51 SER HB2 H 1 3.958 0.04 . 1 . . . . 51 SER HB2 . 15300 1 518 . 1 1 51 51 SER HB3 H 1 3.958 0.04 . 1 . . . . 51 SER HB3 . 15300 1 519 . 1 1 51 51 SER C C 13 174.048 0.4 . 1 . . . . 51 SER C . 15300 1 520 . 1 1 51 51 SER CA C 13 62.263 0.4 . 1 . . . . 51 SER CA . 15300 1 521 . 1 1 51 51 SER CB C 13 66.493 0.4 . 1 . . . . 51 SER CB . 15300 1 522 . 1 1 51 51 SER N N 15 117.901 0.1 . 1 . . . . 51 SER N . 15300 1 523 . 1 1 52 52 SER H H 1 9.581 0.04 . 1 . . . . 52 SER H . 15300 1 524 . 1 1 52 52 SER HA H 1 5.834 0.04 . 1 . . . . 52 SER HA . 15300 1 525 . 1 1 52 52 SER HB2 H 1 3.977 0.04 . 2 . . . . 52 SER HB2 . 15300 1 526 . 1 1 52 52 SER HB3 H 1 3.948 0.04 . 2 . . . . 52 SER HB3 . 15300 1 527 . 1 1 52 52 SER C C 13 172.120 0.4 . 1 . . . . 52 SER C . 15300 1 528 . 1 1 52 52 SER CA C 13 60.563 0.4 . 1 . . . . 52 SER CA . 15300 1 529 . 1 1 52 52 SER CB C 13 69.855 0.4 . 1 . . . . 52 SER CB . 15300 1 530 . 1 1 52 52 SER N N 15 118.960 0.1 . 1 . . . . 52 SER N . 15300 1 531 . 1 1 53 53 ILE H H 1 9.550 0.04 . 1 . . . . 53 ILE H . 15300 1 532 . 1 1 53 53 ILE HA H 1 5.446 0.04 . 1 . . . . 53 ILE HA . 15300 1 533 . 1 1 53 53 ILE HB H 1 1.869 0.04 . 1 . . . . 53 ILE HB . 15300 1 534 . 1 1 53 53 ILE HD11 H 1 0.634 0.04 . 1 . . . . 53 ILE HD11 . 15300 1 535 . 1 1 53 53 ILE HD12 H 1 0.634 0.04 . 1 . . . . 53 ILE HD12 . 15300 1 536 . 1 1 53 53 ILE HD13 H 1 0.634 0.04 . 1 . . . . 53 ILE HD13 . 15300 1 537 . 1 1 53 53 ILE HG12 H 1 1.364 0.04 . 2 . . . . 53 ILE HG12 . 15300 1 538 . 1 1 53 53 ILE HG13 H 1 1.333 0.04 . 2 . . . . 53 ILE HG13 . 15300 1 539 . 1 1 53 53 ILE HG21 H 1 0.906 0.04 . 1 . . . . 53 ILE HG21 . 15300 1 540 . 1 1 53 53 ILE HG22 H 1 0.906 0.04 . 1 . . . . 53 ILE HG22 . 15300 1 541 . 1 1 53 53 ILE HG23 H 1 0.906 0.04 . 1 . . . . 53 ILE HG23 . 15300 1 542 . 1 1 53 53 ILE C C 13 175.970 0.4 . 1 . . . . 53 ILE C . 15300 1 543 . 1 1 53 53 ILE CA C 13 60.588 0.4 . 1 . . . . 53 ILE CA . 15300 1 544 . 1 1 53 53 ILE CB C 13 42.082 0.4 . 1 . . . . 53 ILE CB . 15300 1 545 . 1 1 53 53 ILE N N 15 122.777 0.1 . 1 . . . . 53 ILE N . 15300 1 546 . 1 1 54 54 CYS H H 1 10.483 0.04 . 1 . . . . 54 CYS H . 15300 1 547 . 1 1 54 54 CYS HA H 1 5.318 0.04 . 1 . . . . 54 CYS HA . 15300 1 548 . 1 1 54 54 CYS HB2 H 1 2.421 0.04 . 2 . . . . 54 CYS HB2 . 15300 1 549 . 1 1 54 54 CYS HB3 H 1 2.575 0.04 . 2 . . . . 54 CYS HB3 . 15300 1 550 . 1 1 54 54 CYS C C 13 176.231 0.4 . 1 . . . . 54 CYS C . 15300 1 551 . 1 1 54 54 CYS CA C 13 60.947 0.4 . 1 . . . . 54 CYS CA . 15300 1 552 . 1 1 54 54 CYS CB C 13 32.519 0.4 . 1 . . . . 54 CYS CB . 15300 1 553 . 1 1 54 54 CYS N N 15 132.595 0.1 . 1 . . . . 54 CYS N . 15300 1 554 . 1 1 55 55 SER H H 1 8.753 0.04 . 1 . . . . 55 SER H . 15300 1 555 . 1 1 55 55 SER HA H 1 4.289 0.04 . 1 . . . . 55 SER HA . 15300 1 556 . 1 1 55 55 SER HB2 H 1 4.145 0.04 . 1 . . . . 55 SER HB2 . 15300 1 557 . 1 1 55 55 SER HB3 H 1 4.145 0.04 . 1 . . . . 55 SER HB3 . 15300 1 558 . 1 1 55 55 SER C C 13 176.515 0.4 . 1 . . . . 55 SER C . 15300 1 559 . 1 1 55 55 SER CA C 13 63.788 0.4 . 1 . . . . 55 SER CA . 15300 1 560 . 1 1 55 55 SER CB C 13 65.165 0.4 . 1 . . . . 55 SER CB . 15300 1 561 . 1 1 55 55 SER N N 15 110.842 0.1 . 1 . . . . 55 SER N . 15300 1 562 . 1 1 56 56 GLU H H 1 8.330 0.04 . 1 . . . . 56 GLU H . 15300 1 563 . 1 1 56 56 GLU HA H 1 4.080 0.04 . 1 . . . . 56 GLU HA . 15300 1 564 . 1 1 56 56 GLU HB2 H 1 1.714 0.04 . 2 . . . . 56 GLU HB2 . 15300 1 565 . 1 1 56 56 GLU HB3 H 1 1.334 0.04 . 2 . . . . 56 GLU HB3 . 15300 1 566 . 1 1 56 56 GLU HG2 H 1 2.199 0.04 . 2 . . . . 56 GLU HG2 . 15300 1 567 . 1 1 56 56 GLU HG3 H 1 2.074 0.04 . 2 . . . . 56 GLU HG3 . 15300 1 568 . 1 1 56 56 GLU CA C 13 60.493 0.4 . 1 . . . . 56 GLU CA . 15300 1 569 . 1 1 56 56 GLU CB C 13 30.882 0.4 . 1 . . . . 56 GLU CB . 15300 1 570 . 1 1 56 56 GLU N N 15 121.533 0.1 . 1 . . . . 56 GLU N . 15300 1 571 . 1 1 57 57 HIS H H 1 6.821 0.04 . 1 . . . . 57 HIS H . 15300 1 572 . 1 1 57 57 HIS HA H 1 4.943 0.04 . 1 . . . . 57 HIS HA . 15300 1 573 . 1 1 57 57 HIS HB2 H 1 1.904 0.04 . 2 . . . . 57 HIS HB2 . 15300 1 574 . 1 1 57 57 HIS HB3 H 1 1.872 0.04 . 2 . . . . 57 HIS HB3 . 15300 1 575 . 1 1 57 57 HIS HD1 H 1 11.318 0.04 . 1 . . . . 57 HIS HD1 . 15300 1 576 . 1 1 57 57 HIS HD2 H 1 7.115 0.04 . 1 . . . . 57 HIS HD2 . 15300 1 577 . 1 1 57 57 HIS HE1 H 1 7.926 0.04 . 1 . . . . 57 HIS HE1 . 15300 1 578 . 1 1 57 57 HIS C C 13 173.259 0.4 . 1 . . . . 57 HIS C . 15300 1 579 . 1 1 57 57 HIS CA C 13 56.619 0.4 . 1 . . . . 57 HIS CA . 15300 1 580 . 1 1 57 57 HIS CB C 13 30.718 0.4 . 1 . . . . 57 HIS CB . 15300 1 581 . 1 1 57 57 HIS N N 15 113.564 0.1 . 1 . . . . 57 HIS N . 15300 1 582 . 1 1 57 57 HIS ND1 N 15 143.374 0.1 . 1 . . . . 57 HIS ND1 . 15300 1 583 . 1 1 58 58 PHE H H 1 7.426 0.04 . 1 . . . . 58 PHE H . 15300 1 584 . 1 1 58 58 PHE HA H 1 5.124 0.04 . 1 . . . . 58 PHE HA . 15300 1 585 . 1 1 58 58 PHE HB2 H 1 2.804 0.04 . 2 . . . . 58 PHE HB2 . 15300 1 586 . 1 1 58 58 PHE HB3 H 1 2.712 0.04 . 2 . . . . 58 PHE HB3 . 15300 1 587 . 1 1 58 58 PHE HD1 H 1 7.024 0.04 . 3 . . . . 58 PHE HD1 . 15300 1 588 . 1 1 58 58 PHE HD2 H 1 7.024 0.04 . 3 . . . . 58 PHE HD2 . 15300 1 589 . 1 1 58 58 PHE HE1 H 1 6.839 0.04 . 3 . . . . 58 PHE HE1 . 15300 1 590 . 1 1 58 58 PHE HE2 H 1 6.839 0.04 . 3 . . . . 58 PHE HE2 . 15300 1 591 . 1 1 58 58 PHE HZ H 1 6.992 0.04 . 1 . . . . 58 PHE HZ . 15300 1 592 . 1 1 58 58 PHE C C 13 175.536 0.4 . 1 . . . . 58 PHE C . 15300 1 593 . 1 1 58 58 PHE CA C 13 58.167 0.4 . 1 . . . . 58 PHE CA . 15300 1 594 . 1 1 58 58 PHE CB C 13 43.293 0.4 . 1 . . . . 58 PHE CB . 15300 1 595 . 1 1 58 58 PHE N N 15 118.588 0.1 . 1 . . . . 58 PHE N . 15300 1 596 . 1 1 59 59 THR H H 1 8.469 0.04 . 1 . . . . 59 THR H . 15300 1 597 . 1 1 59 59 THR HA H 1 4.407 0.04 . 1 . . . . 59 THR HA . 15300 1 598 . 1 1 59 59 THR HB H 1 4.608 0.04 . 1 . . . . 59 THR HB . 15300 1 599 . 1 1 59 59 THR HG21 H 1 1.267 0.04 . 1 . . . . 59 THR HG21 . 15300 1 600 . 1 1 59 59 THR HG22 H 1 1.267 0.04 . 1 . . . . 59 THR HG22 . 15300 1 601 . 1 1 59 59 THR HG23 H 1 1.267 0.04 . 1 . . . . 59 THR HG23 . 15300 1 602 . 1 1 59 59 THR CA C 13 63.102 0.4 . 1 . . . . 59 THR CA . 15300 1 603 . 1 1 59 59 THR CB C 13 69.504 0.4 . 1 . . . . 59 THR CB . 15300 1 604 . 1 1 59 59 THR N N 15 114.537 0.1 . 1 . . . . 59 THR N . 15300 1 605 . 1 1 60 60 PRO HA H 1 4.466 0.04 . 1 . . . . 60 PRO HA . 15300 1 606 . 1 1 60 60 PRO HB2 H 1 2.190 0.04 . 2 . . . . 60 PRO HB2 . 15300 1 607 . 1 1 60 60 PRO HB3 H 1 2.097 0.04 . 2 . . . . 60 PRO HB3 . 15300 1 608 . 1 1 60 60 PRO HD2 H 1 3.873 0.04 . 2 . . . . 60 PRO HD2 . 15300 1 609 . 1 1 60 60 PRO HD3 H 1 3.834 0.04 . 2 . . . . 60 PRO HD3 . 15300 1 610 . 1 1 60 60 PRO HG2 H 1 2.459 0.04 . 1 . . . . 60 PRO HG2 . 15300 1 611 . 1 1 60 60 PRO HG3 H 1 2.459 0.04 . 1 . . . . 60 PRO HG3 . 15300 1 612 . 1 1 60 60 PRO C C 13 178.308 0.4 . 1 . . . . 60 PRO C . 15300 1 613 . 1 1 60 60 PRO CA C 13 68.017 0.4 . 1 . . . . 60 PRO CA . 15300 1 614 . 1 1 60 60 PRO CB C 13 33.977 0.4 . 1 . . . . 60 PRO CB . 15300 1 615 . 1 1 61 61 ASP H H 1 8.415 0.04 . 1 . . . . 61 ASP H . 15300 1 616 . 1 1 61 61 ASP HA H 1 4.596 0.04 . 1 . . . . 61 ASP HA . 15300 1 617 . 1 1 61 61 ASP HB2 H 1 2.779 0.04 . 2 . . . . 61 ASP HB2 . 15300 1 618 . 1 1 61 61 ASP HB3 H 1 2.692 0.04 . 2 . . . . 61 ASP HB3 . 15300 1 619 . 1 1 61 61 ASP C C 13 176.318 0.4 . 1 . . . . 61 ASP C . 15300 1 620 . 1 1 61 61 ASP CA C 13 56.931 0.4 . 1 . . . . 61 ASP CA . 15300 1 621 . 1 1 61 61 ASP CB C 13 41.759 0.4 . 1 . . . . 61 ASP CB . 15300 1 622 . 1 1 61 61 ASP N N 15 113.646 0.1 . 1 . . . . 61 ASP N . 15300 1 623 . 1 1 62 62 CYS H H 1 8.028 0.04 . 1 . . . . 62 CYS H . 15300 1 624 . 1 1 62 62 CYS HA H 1 4.151 0.04 . 1 . . . . 62 CYS HA . 15300 1 625 . 1 1 62 62 CYS HB2 H 1 2.598 0.04 . 2 . . . . 62 CYS HB2 . 15300 1 626 . 1 1 62 62 CYS HB3 H 1 2.245 0.04 . 2 . . . . 62 CYS HB3 . 15300 1 627 . 1 1 62 62 CYS C C 13 172.308 0.4 . 1 . . . . 62 CYS C . 15300 1 628 . 1 1 62 62 CYS CA C 13 64.043 0.4 . 1 . . . . 62 CYS CA . 15300 1 629 . 1 1 62 62 CYS CB C 13 29.842 0.4 . 1 . . . . 62 CYS CB . 15300 1 630 . 1 1 62 62 CYS N N 15 116.043 0.1 . 1 . . . . 62 CYS N . 15300 1 631 . 1 1 63 63 PHE H H 1 7.294 0.04 . 1 . . . . 63 PHE H . 15300 1 632 . 1 1 63 63 PHE HA H 1 5.026 0.04 . 1 . . . . 63 PHE HA . 15300 1 633 . 1 1 63 63 PHE HB2 H 1 2.832 0.04 . 2 . . . . 63 PHE HB2 . 15300 1 634 . 1 1 63 63 PHE HB3 H 1 2.776 0.04 . 2 . . . . 63 PHE HB3 . 15300 1 635 . 1 1 63 63 PHE HD1 H 1 6.908 0.04 . 3 . . . . 63 PHE HD1 . 15300 1 636 . 1 1 63 63 PHE HD2 H 1 6.908 0.04 . 3 . . . . 63 PHE HD2 . 15300 1 637 . 1 1 63 63 PHE HE1 H 1 6.772 0.04 . 3 . . . . 63 PHE HE1 . 15300 1 638 . 1 1 63 63 PHE HE2 H 1 6.772 0.04 . 3 . . . . 63 PHE HE2 . 15300 1 639 . 1 1 63 63 PHE HZ H 1 6.968 0.04 . 1 . . . . 63 PHE HZ . 15300 1 640 . 1 1 63 63 PHE CA C 13 59.094 0.4 . 1 . . . . 63 PHE CA . 15300 1 641 . 1 1 63 63 PHE CB C 13 43.465 0.4 . 1 . . . . 63 PHE CB . 15300 1 642 . 1 1 63 63 PHE N N 15 115.641 0.1 . 1 . . . . 63 PHE N . 15300 1 643 . 1 1 64 64 LYS H H 1 8.566 0.04 . 1 . . . . 64 LYS H . 15300 1 644 . 1 1 64 64 LYS HA H 1 4.138 0.04 . 1 . . . . 64 LYS HA . 15300 1 645 . 1 1 64 64 LYS HB2 H 1 1.613 0.04 . 1 . . . . 64 LYS HB2 . 15300 1 646 . 1 1 64 64 LYS HB3 H 1 1.613 0.04 . 1 . . . . 64 LYS HB3 . 15300 1 647 . 1 1 64 64 LYS HD2 H 1 1.510 0.04 . 1 . . . . 64 LYS HD2 . 15300 1 648 . 1 1 64 64 LYS HD3 H 1 1.510 0.04 . 1 . . . . 64 LYS HD3 . 15300 1 649 . 1 1 64 64 LYS HE2 H 1 3.031 0.04 . 1 . . . . 64 LYS HE2 . 15300 1 650 . 1 1 64 64 LYS HE3 H 1 3.031 0.04 . 1 . . . . 64 LYS HE3 . 15300 1 651 . 1 1 65 65 ARG H H 1 7.966 0.04 . 1 . . . . 65 ARG H . 15300 1 652 . 1 1 65 65 ARG HA H 1 4.148 0.04 . 1 . . . . 65 ARG HA . 15300 1 653 . 1 1 65 65 ARG HB2 H 1 1.803 0.04 . 2 . . . . 65 ARG HB2 . 15300 1 654 . 1 1 65 65 ARG HB3 H 1 1.693 0.04 . 2 . . . . 65 ARG HB3 . 15300 1 655 . 1 1 65 65 ARG HD2 H 1 3.173 0.04 . 1 . . . . 65 ARG HD2 . 15300 1 656 . 1 1 65 65 ARG HD3 H 1 3.173 0.04 . 1 . . . . 65 ARG HD3 . 15300 1 657 . 1 1 65 65 ARG HG2 H 1 1.622 0.04 . 1 . . . . 65 ARG HG2 . 15300 1 658 . 1 1 65 65 ARG HG3 H 1 1.622 0.04 . 1 . . . . 65 ARG HG3 . 15300 1 659 . 1 1 69 69 ASN H H 1 7.817 0.04 . 1 . . . . 69 ASN H . 15300 1 660 . 1 1 69 69 ASN HA H 1 4.448 0.04 . 1 . . . . 69 ASN HA . 15300 1 661 . 1 1 69 69 ASN HB2 H 1 2.927 0.04 . 2 . . . . 69 ASN HB2 . 15300 1 662 . 1 1 69 69 ASN HB3 H 1 2.902 0.04 . 2 . . . . 69 ASN HB3 . 15300 1 663 . 1 1 70 70 LYS H H 1 7.455 0.04 . 1 . . . . 70 LYS H . 15300 1 664 . 1 1 70 70 LYS HA H 1 4.347 0.04 . 1 . . . . 70 LYS HA . 15300 1 665 . 1 1 70 70 LYS HB2 H 1 1.492 0.04 . 2 . . . . 70 LYS HB2 . 15300 1 666 . 1 1 70 70 LYS HB3 H 1 1.423 0.04 . 2 . . . . 70 LYS HB3 . 15300 1 667 . 1 1 70 70 LYS HD2 H 1 1.293 0.04 . 1 . . . . 70 LYS HD2 . 15300 1 668 . 1 1 70 70 LYS HD3 H 1 1.293 0.04 . 1 . . . . 70 LYS HD3 . 15300 1 669 . 1 1 70 70 LYS C C 13 176.168 0.4 . 1 . . . . 70 LYS C . 15300 1 670 . 1 1 71 71 LEU H H 1 8.476 0.04 . 1 . . . . 71 LEU H . 15300 1 671 . 1 1 71 71 LEU HA H 1 4.357 0.04 . 1 . . . . 71 LEU HA . 15300 1 672 . 1 1 71 71 LEU HB2 H 1 2.059 0.04 . 2 . . . . 71 LEU HB2 . 15300 1 673 . 1 1 71 71 LEU HB3 H 1 1.980 0.04 . 2 . . . . 71 LEU HB3 . 15300 1 674 . 1 1 71 71 LEU HD11 H 1 0.805 0.04 . 1 . . . . 71 LEU HD11 . 15300 1 675 . 1 1 71 71 LEU HD12 H 1 0.805 0.04 . 1 . . . . 71 LEU HD12 . 15300 1 676 . 1 1 71 71 LEU HD13 H 1 0.805 0.04 . 1 . . . . 71 LEU HD13 . 15300 1 677 . 1 1 71 71 LEU HD21 H 1 0.805 0.04 . 1 . . . . 71 LEU HD21 . 15300 1 678 . 1 1 71 71 LEU HD22 H 1 0.805 0.04 . 1 . . . . 71 LEU HD22 . 15300 1 679 . 1 1 71 71 LEU HD23 H 1 0.805 0.04 . 1 . . . . 71 LEU HD23 . 15300 1 680 . 1 1 71 71 LEU HG H 1 2.287 0.04 . 1 . . . . 71 LEU HG . 15300 1 681 . 1 1 72 72 LEU H H 1 8.239 0.04 . 1 . . . . 72 LEU H . 15300 1 682 . 1 1 72 72 LEU HA H 1 4.355 0.04 . 1 . . . . 72 LEU HA . 15300 1 683 . 1 1 72 72 LEU HB2 H 1 1.622 0.04 . 2 . . . . 72 LEU HB2 . 15300 1 684 . 1 1 72 72 LEU HB3 H 1 1.566 0.04 . 2 . . . . 72 LEU HB3 . 15300 1 685 . 1 1 72 72 LEU HD11 H 1 0.827 0.04 . 2 . . . . 72 LEU HD11 . 15300 1 686 . 1 1 72 72 LEU HD12 H 1 0.827 0.04 . 2 . . . . 72 LEU HD12 . 15300 1 687 . 1 1 72 72 LEU HD13 H 1 0.827 0.04 . 2 . . . . 72 LEU HD13 . 15300 1 688 . 1 1 72 72 LEU HD21 H 1 0.817 0.04 . 2 . . . . 72 LEU HD21 . 15300 1 689 . 1 1 72 72 LEU HD22 H 1 0.817 0.04 . 2 . . . . 72 LEU HD22 . 15300 1 690 . 1 1 72 72 LEU HD23 H 1 0.817 0.04 . 2 . . . . 72 LEU HD23 . 15300 1 691 . 1 1 72 72 LEU HG H 1 1.434 0.04 . 1 . . . . 72 LEU HG . 15300 1 692 . 1 1 73 73 LYS H H 1 8.561 0.04 . 1 . . . . 73 LYS H . 15300 1 693 . 1 1 73 73 LYS HA H 1 3.964 0.04 . 1 . . . . 73 LYS HA . 15300 1 694 . 1 1 73 73 LYS HB2 H 1 1.618 0.04 . 2 . . . . 73 LYS HB2 . 15300 1 695 . 1 1 73 73 LYS HB3 H 1 1.488 0.04 . 2 . . . . 73 LYS HB3 . 15300 1 696 . 1 1 74 74 GLU H H 1 8.868 0.04 . 1 . . . . 74 GLU H . 15300 1 697 . 1 1 74 74 GLU HA H 1 4.017 0.04 . 1 . . . . 74 GLU HA . 15300 1 698 . 1 1 74 74 GLU HB2 H 1 1.985 0.04 . 1 . . . . 74 GLU HB2 . 15300 1 699 . 1 1 74 74 GLU HB3 H 1 1.985 0.04 . 1 . . . . 74 GLU HB3 . 15300 1 700 . 1 1 74 74 GLU HG2 H 1 2.327 0.04 . 1 . . . . 74 GLU HG2 . 15300 1 701 . 1 1 74 74 GLU HG3 H 1 2.327 0.04 . 1 . . . . 74 GLU HG3 . 15300 1 702 . 1 1 74 74 GLU C C 13 176.893 0.4 . 1 . . . . 74 GLU C . 15300 1 703 . 1 1 74 74 GLU CA C 13 61.692 0.4 . 1 . . . . 74 GLU CA . 15300 1 704 . 1 1 74 74 GLU CB C 13 35.773 0.4 . 1 . . . . 74 GLU CB . 15300 1 705 . 1 1 74 74 GLU N N 15 120.634 0.1 . 1 . . . . 74 GLU N . 15300 1 706 . 1 1 75 75 ASN H H 1 8.118 0.04 . 1 . . . . 75 ASN H . 15300 1 707 . 1 1 75 75 ASN HA H 1 4.935 0.04 . 1 . . . . 75 ASN HA . 15300 1 708 . 1 1 75 75 ASN HB2 H 1 2.955 0.04 . 2 . . . . 75 ASN HB2 . 15300 1 709 . 1 1 75 75 ASN HB3 H 1 2.869 0.04 . 2 . . . . 75 ASN HB3 . 15300 1 710 . 1 1 75 75 ASN HD21 H 1 7.546 0.04 . 1 . . . . 75 ASN HD21 . 15300 1 711 . 1 1 75 75 ASN HD22 H 1 6.893 0.04 . 1 . . . . 75 ASN HD22 . 15300 1 712 . 1 1 75 75 ASN C C 13 174.608 0.4 . 1 . . . . 75 ASN C . 15300 1 713 . 1 1 75 75 ASN CA C 13 54.312 0.4 . 1 . . . . 75 ASN CA . 15300 1 714 . 1 1 75 75 ASN CB C 13 40.029 0.4 . 1 . . . . 75 ASN CB . 15300 1 715 . 1 1 75 75 ASN N N 15 114.271 0.1 . 1 . . . . 75 ASN N . 15300 1 716 . 1 1 75 75 ASN ND2 N 15 112.974 0.1 . 1 . . . . 75 ASN ND2 . 15300 1 717 . 1 1 76 76 ALA H H 1 7.229 0.04 . 1 . . . . 76 ALA H . 15300 1 718 . 1 1 76 76 ALA HA H 1 4.286 0.04 . 1 . . . . 76 ALA HA . 15300 1 719 . 1 1 76 76 ALA HB1 H 1 1.356 0.04 . 1 . . . . 76 ALA HB1 . 15300 1 720 . 1 1 76 76 ALA HB2 H 1 1.356 0.04 . 1 . . . . 76 ALA HB2 . 15300 1 721 . 1 1 76 76 ALA HB3 H 1 1.356 0.04 . 1 . . . . 76 ALA HB3 . 15300 1 722 . 1 1 76 76 ALA C C 13 177.299 0.4 . 1 . . . . 76 ALA C . 15300 1 723 . 1 1 76 76 ALA CA C 13 55.958 0.4 . 1 . . . . 76 ALA CA . 15300 1 724 . 1 1 76 76 ALA CB C 13 23.223 0.4 . 1 . . . . 76 ALA CB . 15300 1 725 . 1 1 76 76 ALA N N 15 121.777 0.1 . 1 . . . . 76 ALA N . 15300 1 726 . 1 1 77 77 VAL H H 1 7.931 0.04 . 1 . . . . 77 VAL H . 15300 1 727 . 1 1 77 77 VAL HA H 1 4.309 0.04 . 1 . . . . 77 VAL HA . 15300 1 728 . 1 1 77 77 VAL HB H 1 1.880 0.04 . 1 . . . . 77 VAL HB . 15300 1 729 . 1 1 77 77 VAL HG11 H 1 1.081 0.04 . 2 . . . . 77 VAL HG11 . 15300 1 730 . 1 1 77 77 VAL HG12 H 1 1.081 0.04 . 2 . . . . 77 VAL HG12 . 15300 1 731 . 1 1 77 77 VAL HG13 H 1 1.081 0.04 . 2 . . . . 77 VAL HG13 . 15300 1 732 . 1 1 77 77 VAL HG21 H 1 0.943 0.04 . 2 . . . . 77 VAL HG21 . 15300 1 733 . 1 1 77 77 VAL HG22 H 1 0.943 0.04 . 2 . . . . 77 VAL HG22 . 15300 1 734 . 1 1 77 77 VAL HG23 H 1 0.943 0.04 . 2 . . . . 77 VAL HG23 . 15300 1 735 . 1 1 77 77 VAL N N 15 119.111 0.1 . 1 . . . . 77 VAL N . 15300 1 736 . 1 1 78 78 PRO HA H 1 4.374 0.04 . 1 . . . . 78 PRO HA . 15300 1 737 . 1 1 78 78 PRO HB2 H 1 2.235 0.04 . 1 . . . . 78 PRO HB2 . 15300 1 738 . 1 1 78 78 PRO HB3 H 1 2.235 0.04 . 1 . . . . 78 PRO HB3 . 15300 1 739 . 1 1 78 78 PRO HD2 H 1 3.762 0.04 . 1 . . . . 78 PRO HD2 . 15300 1 740 . 1 1 78 78 PRO HD3 H 1 3.762 0.04 . 1 . . . . 78 PRO HD3 . 15300 1 741 . 1 1 78 78 PRO HG2 H 1 1.933 0.04 . 1 . . . . 78 PRO HG2 . 15300 1 742 . 1 1 78 78 PRO HG3 H 1 1.933 0.04 . 1 . . . . 78 PRO HG3 . 15300 1 743 . 1 1 79 79 THR H H 1 8.231 0.04 . 1 . . . . 79 THR H . 15300 1 744 . 1 1 79 79 THR HA H 1 4.208 0.04 . 1 . . . . 79 THR HA . 15300 1 745 . 1 1 79 79 THR HB H 1 4.083 0.04 . 1 . . . . 79 THR HB . 15300 1 746 . 1 1 79 79 THR HG21 H 1 1.121 0.04 . 1 . . . . 79 THR HG21 . 15300 1 747 . 1 1 79 79 THR HG22 H 1 1.121 0.04 . 1 . . . . 79 THR HG22 . 15300 1 748 . 1 1 79 79 THR HG23 H 1 1.121 0.04 . 1 . . . . 79 THR HG23 . 15300 1 stop_ save_