################################### # 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 16485 _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 0.04 _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 '3D HNCACB' . . . 16485 1 2 '3D CBCA(CO)NH' . . . 16485 1 3 '3D HNCO' . . . 16485 1 4 '3D HCCH-TOCSY' . . . 16485 1 5 '3D 1H-15N NOESY' . . . 16485 1 6 '3D 1H-13C NOESY' . . . 16485 1 7 '3D 1H-15N TOCSY' . . . 16485 1 8 '3D H(CCO)NH' . . . 16485 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 . . 16485 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.909 0.04 . 1 . . . . . 1 MET H . 16485 1 2 . 1 1 1 1 MET HA H 1 4.160 0.04 . 1 . . . . . 1 MET HA . 16485 1 3 . 1 1 1 1 MET HB2 H 1 2.159 0.04 . 2 . . . . . 1 MET HB . 16485 1 4 . 1 1 1 1 MET HB3 H 1 2.159 0.04 . 2 . . . . . 1 MET HB . 16485 1 5 . 1 1 1 1 MET HE1 H 1 1.013 0.04 . 1 . . . . . 1 MET HE . 16485 1 6 . 1 1 1 1 MET HE2 H 1 1.013 0.04 . 1 . . . . . 1 MET HE . 16485 1 7 . 1 1 1 1 MET HE3 H 1 1.013 0.04 . 1 . . . . . 1 MET HE . 16485 1 8 . 1 1 1 1 MET HG2 H 1 2.473 0.04 . 2 . . . . . 1 MET HG . 16485 1 9 . 1 1 1 1 MET HG3 H 1 2.473 0.04 . 2 . . . . . 1 MET HG . 16485 1 10 . 1 1 1 1 MET CE C 13 17.579 0.4 . 1 . . . . . 1 MET CE . 16485 1 11 . 1 1 1 1 MET CG C 13 32.770 0.4 . 1 . . . . . 1 MET CG . 16485 1 12 . 1 1 1 1 MET N N 15 116.766 0.1 . 1 . . . . . 1 MET N . 16485 1 13 . 1 1 2 2 VAL HA H 1 4.708 0.04 . 1 . . . . . 2 VAL HA . 16485 1 14 . 1 1 2 2 VAL HB H 1 2.354 0.04 . 1 . . . . . 2 VAL HB . 16485 1 15 . 1 1 2 2 VAL HG11 H 1 0.981 0.04 . 2 . . . . . 2 VAL HG1 . 16485 1 16 . 1 1 2 2 VAL HG12 H 1 0.981 0.04 . 2 . . . . . 2 VAL HG1 . 16485 1 17 . 1 1 2 2 VAL HG13 H 1 0.981 0.04 . 2 . . . . . 2 VAL HG1 . 16485 1 18 . 1 1 2 2 VAL C C 13 175.216 0.4 . 1 . . . . . 2 VAL C . 16485 1 19 . 1 1 2 2 VAL CA C 13 63.204 0.4 . 1 . . . . . 2 VAL CA . 16485 1 20 . 1 1 2 2 VAL CB C 13 34.561 0.4 . 1 . . . . . 2 VAL CB . 16485 1 21 . 1 1 2 2 VAL CG1 C 13 20.774 0.4 . 1 . . . . . 2 VAL CG1 . 16485 1 22 . 1 1 3 3 GLN H H 1 8.118 0.04 . 1 . . . . . 3 GLN H . 16485 1 23 . 1 1 3 3 GLN HA H 1 3.928 0.04 . 1 . . . . . 3 GLN HA . 16485 1 24 . 1 1 3 3 GLN HB2 H 1 1.675 0.04 . 1 . . . . . 3 GLN HB2 . 16485 1 25 . 1 1 3 3 GLN HB3 H 1 1.126 0.04 . 1 . . . . . 3 GLN HB3 . 16485 1 26 . 1 1 3 3 GLN HG2 H 1 2.363 0.04 . 1 . . . . . 3 GLN HG2 . 16485 1 27 . 1 1 3 3 GLN HG3 H 1 2.112 0.04 . 1 . . . . . 3 GLN HG3 . 16485 1 28 . 1 1 3 3 GLN C C 13 173.737 0.4 . 1 . . . . . 3 GLN C . 16485 1 29 . 1 1 3 3 GLN CA C 13 58.081 0.4 . 1 . . . . . 3 GLN CA . 16485 1 30 . 1 1 3 3 GLN CB C 13 31.480 0.4 . 1 . . . . . 3 GLN CB . 16485 1 31 . 1 1 3 3 GLN CG C 13 36.354 0.4 . 1 . . . . . 3 GLN CG . 16485 1 32 . 1 1 3 3 GLN N N 15 125.394 0.1 . 1 . . . . . 3 GLN N . 16485 1 33 . 1 1 4 4 SER H H 1 8.226 0.04 . 1 . . . . . 4 SER H . 16485 1 34 . 1 1 4 4 SER HA H 1 5.157 0.04 . 1 . . . . . 4 SER HA . 16485 1 35 . 1 1 4 4 SER HB2 H 1 3.575 0.04 . 1 . . . . . 4 SER HB2 . 16485 1 36 . 1 1 4 4 SER HB3 H 1 4.274 0.04 . 1 . . . . . 4 SER HB3 . 16485 1 37 . 1 1 4 4 SER C C 13 172.463 0.4 . 1 . . . . . 4 SER C . 16485 1 38 . 1 1 4 4 SER CA C 13 57.064 0.4 . 1 . . . . . 4 SER CA . 16485 1 39 . 1 1 4 4 SER CB C 13 67.020 0.4 . 1 . . . . . 4 SER CB . 16485 1 40 . 1 1 4 4 SER N N 15 112.988 0.1 . 1 . . . . . 4 SER N . 16485 1 41 . 1 1 5 5 CYS H H 1 8.293 0.04 . 1 . . . . . 5 CYS H . 16485 1 42 . 1 1 5 5 CYS HA H 1 4.660 0.04 . 1 . . . . . 5 CYS HA . 16485 1 43 . 1 1 5 5 CYS HB2 H 1 3.257 0.04 . 1 . . . . . 5 CYS HB2 . 16485 1 44 . 1 1 5 5 CYS HB3 H 1 3.050 0.04 . 1 . . . . . 5 CYS HB3 . 16485 1 45 . 1 1 5 5 CYS C C 13 177.607 0.4 . 1 . . . . . 5 CYS C . 16485 1 46 . 1 1 5 5 CYS CA C 13 60.877 0.4 . 1 . . . . . 5 CYS CA . 16485 1 47 . 1 1 5 5 CYS CB C 13 32.266 0.4 . 1 . . . . . 5 CYS CB . 16485 1 48 . 1 1 5 5 CYS N N 15 122.026 0.1 . 1 . . . . . 5 CYS N . 16485 1 49 . 1 1 6 6 SER H H 1 9.610 0.04 . 1 . . . . . 6 SER H . 16485 1 50 . 1 1 6 6 SER HA H 1 4.846 0.04 . 1 . . . . . 6 SER HA . 16485 1 51 . 1 1 6 6 SER HB2 H 1 4.175 0.04 . 1 . . . . . 6 SER HB2 . 16485 1 52 . 1 1 6 6 SER HB3 H 1 4.131 0.04 . 1 . . . . . 6 SER HB3 . 16485 1 53 . 1 1 6 6 SER C C 13 173.737 0.4 . 1 . . . . . 6 SER C . 16485 1 54 . 1 1 6 6 SER CA C 13 61.657 0.4 . 1 . . . . . 6 SER CA . 16485 1 55 . 1 1 6 6 SER CB C 13 64.973 0.4 . 1 . . . . . 6 SER CB . 16485 1 56 . 1 1 6 6 SER N N 15 124.574 0.1 . 1 . . . . . 6 SER N . 16485 1 57 . 1 1 7 7 ALA H H 1 9.574 0.04 . 1 . . . . . 7 ALA H . 16485 1 58 . 1 1 7 7 ALA HA H 1 3.914 0.04 . 1 . . . . . 7 ALA HA . 16485 1 59 . 1 1 7 7 ALA HB1 H 1 1.135 0.04 . 1 . . . . . 7 ALA HB . 16485 1 60 . 1 1 7 7 ALA HB2 H 1 1.135 0.04 . 1 . . . . . 7 ALA HB . 16485 1 61 . 1 1 7 7 ALA HB3 H 1 1.135 0.04 . 1 . . . . . 7 ALA HB . 16485 1 62 . 1 1 7 7 ALA C C 13 177.772 0.4 . 1 . . . . . 7 ALA C . 16485 1 63 . 1 1 7 7 ALA CA C 13 53.734 0.4 . 1 . . . . . 7 ALA CA . 16485 1 64 . 1 1 7 7 ALA CB C 13 18.739 0.4 . 1 . . . . . 7 ALA CB . 16485 1 65 . 1 1 7 7 ALA N N 15 126.896 0.1 . 1 . . . . . 7 ALA N . 16485 1 66 . 1 1 8 8 TYR H H 1 8.764 0.04 . 1 . . . . . 8 TYR H . 16485 1 67 . 1 1 8 8 TYR HA H 1 4.169 0.04 . 1 . . . . . 8 TYR HA . 16485 1 68 . 1 1 8 8 TYR HB2 H 1 2.818 0.04 . 1 . . . . . 8 TYR HB2 . 16485 1 69 . 1 1 8 8 TYR HB3 H 1 2.892 0.04 . 1 . . . . . 8 TYR HB3 . 16485 1 70 . 1 1 8 8 TYR HD1 H 1 7.030 0.04 . 3 . . . . . 8 TYR HD . 16485 1 71 . 1 1 8 8 TYR HD2 H 1 7.030 0.04 . 3 . . . . . 8 TYR HD . 16485 1 72 . 1 1 8 8 TYR HE1 H 1 6.822 0.04 . 3 . . . . . 8 TYR HE . 16485 1 73 . 1 1 8 8 TYR HE2 H 1 6.822 0.04 . 3 . . . . . 8 TYR HE . 16485 1 74 . 1 1 8 8 TYR C C 13 176.954 0.4 . 1 . . . . . 8 TYR C . 16485 1 75 . 1 1 8 8 TYR CA C 13 60.370 0.4 . 1 . . . . . 8 TYR CA . 16485 1 76 . 1 1 8 8 TYR CB C 13 38.646 0.4 . 1 . . . . . 8 TYR CB . 16485 1 77 . 1 1 8 8 TYR CD1 C 13 133.466 0.4 . 3 . . . . . 8 TYR CD1 . 16485 1 78 . 1 1 8 8 TYR CE1 C 13 118.573 0.4 . 3 . . . . . 8 TYR CE1 . 16485 1 79 . 1 1 8 8 TYR N N 15 124.177 0.1 . 1 . . . . . 8 TYR N . 16485 1 80 . 1 1 9 9 GLY H H 1 8.550 0.04 . 1 . . . . . 9 GLY H . 16485 1 81 . 1 1 9 9 GLY HA2 H 1 3.766 0.04 . 1 . . . . . 9 GLY HA2 . 16485 1 82 . 1 1 9 9 GLY HA3 H 1 3.295 0.04 . 1 . . . . . 9 GLY HA3 . 16485 1 83 . 1 1 9 9 GLY C C 13 172.857 0.4 . 1 . . . . . 9 GLY C . 16485 1 84 . 1 1 9 9 GLY CA C 13 45.557 0.4 . 1 . . . . . 9 GLY CA . 16485 1 85 . 1 1 9 9 GLY N N 15 115.548 0.1 . 1 . . . . . 9 GLY N . 16485 1 86 . 1 1 10 10 CYS H H 1 7.605 0.04 . 1 . . . . . 10 CYS H . 16485 1 87 . 1 1 10 10 CYS HA H 1 4.409 0.04 . 1 . . . . . 10 CYS HA . 16485 1 88 . 1 1 10 10 CYS HB2 H 1 3.198 0.04 . 1 . . . . . 10 CYS HB2 . 16485 1 89 . 1 1 10 10 CYS HB3 H 1 2.756 0.04 . 1 . . . . . 10 CYS HB3 . 16485 1 90 . 1 1 10 10 CYS CA C 13 60.681 0.4 . 1 . . . . . 10 CYS CA . 16485 1 91 . 1 1 10 10 CYS CB C 13 31.746 0.4 . 1 . . . . . 10 CYS CB . 16485 1 92 . 1 1 10 10 CYS N N 15 122.861 0.1 . 1 . . . . . 10 CYS N . 16485 1 93 . 1 1 11 11 LYS H H 1 8.969 0.04 . 1 . . . . . 11 LYS H . 16485 1 94 . 1 1 11 11 LYS HA H 1 4.568 0.04 . 1 . . . . . 11 LYS HA . 16485 1 95 . 1 1 11 11 LYS HB2 H 1 2.143 0.04 . 1 . . . . . 11 LYS HB2 . 16485 1 96 . 1 1 11 11 LYS HB3 H 1 1.902 0.04 . 1 . . . . . 11 LYS HB3 . 16485 1 97 . 1 1 11 11 LYS C C 13 176.983 0.4 . 1 . . . . . 11 LYS C . 16485 1 98 . 1 1 11 11 LYS CA C 13 55.511 0.4 . 1 . . . . . 11 LYS CA . 16485 1 99 . 1 1 11 11 LYS CB C 13 32.038 0.4 . 1 . . . . . 11 LYS CB . 16485 1 100 . 1 1 12 12 ASN H H 1 8.819 0.04 . 1 . . . . . 12 ASN H . 16485 1 101 . 1 1 12 12 ASN HA H 1 4.734 0.04 . 1 . . . . . 12 ASN HA . 16485 1 102 . 1 1 12 12 ASN HB2 H 1 3.148 0.04 . 1 . . . . . 12 ASN HB2 . 16485 1 103 . 1 1 12 12 ASN HB3 H 1 2.697 0.04 . 1 . . . . . 12 ASN HB3 . 16485 1 104 . 1 1 12 12 ASN HD21 H 1 8.641 0.04 . 2 . . . . . 12 ASN HD2 . 16485 1 105 . 1 1 12 12 ASN HD22 H 1 8.641 0.04 . 2 . . . . . 12 ASN HD2 . 16485 1 106 . 1 1 12 12 ASN C C 13 176.198 0.4 . 1 . . . . . 12 ASN C . 16485 1 107 . 1 1 12 12 ASN CA C 13 55.382 0.4 . 1 . . . . . 12 ASN CA . 16485 1 108 . 1 1 12 12 ASN CB C 13 38.261 0.4 . 1 . . . . . 12 ASN CB . 16485 1 109 . 1 1 12 12 ASN N N 15 122.558 0.1 . 1 . . . . . 12 ASN N . 16485 1 110 . 1 1 13 13 ARG H H 1 8.389 0.04 . 1 . . . . . 13 ARG H . 16485 1 111 . 1 1 13 13 ARG HA H 1 4.983 0.04 . 1 . . . . . 13 ARG HA . 16485 1 112 . 1 1 13 13 ARG HB2 H 1 1.747 0.04 . 1 . . . . . 13 ARG HB2 . 16485 1 113 . 1 1 13 13 ARG HB3 H 1 1.524 0.04 . 1 . . . . . 13 ARG HB3 . 16485 1 114 . 1 1 13 13 ARG HD2 H 1 3.485 0.04 . 1 . . . . . 13 ARG HD2 . 16485 1 115 . 1 1 13 13 ARG HD3 H 1 3.006 0.04 . 1 . . . . . 13 ARG HD3 . 16485 1 116 . 1 1 13 13 ARG HE H 1 6.961 0.04 . 1 . . . . . 13 ARG HE . 16485 1 117 . 1 1 13 13 ARG HG2 H 1 1.874 0.04 . 2 . . . . . 13 ARG HG . 16485 1 118 . 1 1 13 13 ARG HG3 H 1 1.874 0.04 . 2 . . . . . 13 ARG HG . 16485 1 119 . 1 1 13 13 ARG C C 13 176.479 0.4 . 1 . . . . . 13 ARG C . 16485 1 120 . 1 1 13 13 ARG CA C 13 54.472 0.4 . 1 . . . . . 13 ARG CA . 16485 1 121 . 1 1 13 13 ARG CB C 13 33.909 0.4 . 1 . . . . . 13 ARG CB . 16485 1 122 . 1 1 13 13 ARG CD C 13 43.778 0.4 . 1 . . . . . 13 ARG CD . 16485 1 123 . 1 1 13 13 ARG CG C 13 28.800 0.4 . 1 . . . . . 13 ARG CG . 16485 1 124 . 1 1 13 13 ARG N N 15 119.820 0.1 . 1 . . . . . 13 ARG N . 16485 1 125 . 1 1 14 14 TYR H H 1 8.361 0.04 . 1 . . . . . 14 TYR H . 16485 1 126 . 1 1 14 14 TYR HA H 1 3.785 0.04 . 1 . . . . . 14 TYR HA . 16485 1 127 . 1 1 14 14 TYR HB2 H 1 2.376 0.04 . 1 . . . . . 14 TYR HB2 . 16485 1 128 . 1 1 14 14 TYR HB3 H 1 2.169 0.04 . 1 . . . . . 14 TYR HB3 . 16485 1 129 . 1 1 14 14 TYR HD1 H 1 6.972 0.04 . 3 . . . . . 14 TYR HD . 16485 1 130 . 1 1 14 14 TYR HD2 H 1 6.972 0.04 . 3 . . . . . 14 TYR HD . 16485 1 131 . 1 1 14 14 TYR HE1 H 1 7.227 0.04 . 3 . . . . . 14 TYR HE . 16485 1 132 . 1 1 14 14 TYR HE2 H 1 7.227 0.04 . 3 . . . . . 14 TYR HE . 16485 1 133 . 1 1 14 14 TYR C C 13 173.947 0.4 . 1 . . . . . 14 TYR C . 16485 1 134 . 1 1 14 14 TYR CA C 13 61.847 0.4 . 1 . . . . . 14 TYR CA . 16485 1 135 . 1 1 14 14 TYR CB C 13 38.631 0.4 . 1 . . . . . 14 TYR CB . 16485 1 136 . 1 1 14 14 TYR N N 15 124.643 0.1 . 1 . . . . . 14 TYR N . 16485 1 137 . 1 1 15 15 ASP H H 1 7.265 0.04 . 1 . . . . . 15 ASP H . 16485 1 138 . 1 1 15 15 ASP HA H 1 4.113 0.04 . 1 . . . . . 15 ASP HA . 16485 1 139 . 1 1 15 15 ASP HB2 H 1 2.491 0.04 . 2 . . . . . 15 ASP HB . 16485 1 140 . 1 1 15 15 ASP HB3 H 1 2.491 0.04 . 2 . . . . . 15 ASP HB . 16485 1 141 . 1 1 15 15 ASP C C 13 176.264 0.4 . 1 . . . . . 15 ASP C . 16485 1 142 . 1 1 15 15 ASP CA C 13 53.237 0.4 . 1 . . . . . 15 ASP CA . 16485 1 143 . 1 1 15 15 ASP CB C 13 43.610 0.4 . 1 . . . . . 15 ASP CB . 16485 1 144 . 1 1 15 15 ASP N N 15 127.443 0.1 . 1 . . . . . 15 ASP N . 16485 1 145 . 1 1 16 16 LYS H H 1 8.969 0.04 . 1 . . . . . 16 LYS H . 16485 1 146 . 1 1 16 16 LYS HA H 1 4.070 0.04 . 1 . . . . . 16 LYS HA . 16485 1 147 . 1 1 16 16 LYS HB2 H 1 2.150 0.04 . 1 . . . . . 16 LYS HB2 . 16485 1 148 . 1 1 16 16 LYS HB3 H 1 1.893 0.04 . 1 . . . . . 16 LYS HB3 . 16485 1 149 . 1 1 16 16 LYS HD2 H 1 1.832 0.04 . 2 . . . . . 16 LYS HD . 16485 1 150 . 1 1 16 16 LYS HD3 H 1 1.832 0.04 . 2 . . . . . 16 LYS HD . 16485 1 151 . 1 1 16 16 LYS HE2 H 1 3.057 0.04 . 2 . . . . . 16 LYS HE . 16485 1 152 . 1 1 16 16 LYS HE3 H 1 3.057 0.04 . 2 . . . . . 16 LYS HE . 16485 1 153 . 1 1 16 16 LYS HG2 H 1 1.518 0.04 . 1 . . . . . 16 LYS HG2 . 16485 1 154 . 1 1 16 16 LYS HG3 H 1 1.464 0.04 . 1 . . . . . 16 LYS HG3 . 16485 1 155 . 1 1 16 16 LYS C C 13 176.735 0.4 . 1 . . . . . 16 LYS C . 16485 1 156 . 1 1 16 16 LYS CA C 13 59.095 0.4 . 1 . . . . . 16 LYS CA . 16485 1 157 . 1 1 16 16 LYS CB C 13 32.534 0.4 . 1 . . . . . 16 LYS CB . 16485 1 158 . 1 1 16 16 LYS CD C 13 29.718 0.4 . 1 . . . . . 16 LYS CD . 16485 1 159 . 1 1 16 16 LYS CE C 13 42.503 0.4 . 1 . . . . . 16 LYS CE . 16485 1 160 . 1 1 16 16 LYS CG C 13 24.148 0.4 . 1 . . . . . 16 LYS CG . 16485 1 161 . 1 1 16 16 LYS N N 15 129.006 0.1 . 1 . . . . . 16 LYS N . 16485 1 162 . 1 1 17 17 ASP H H 1 8.535 0.04 . 1 . . . . . 17 ASP H . 16485 1 163 . 1 1 17 17 ASP HA H 1 4.678 0.04 . 1 . . . . . 17 ASP HA . 16485 1 164 . 1 1 17 17 ASP HB2 H 1 2.784 0.04 . 1 . . . . . 17 ASP HB2 . 16485 1 165 . 1 1 17 17 ASP HB3 H 1 2.544 0.04 . 1 . . . . . 17 ASP HB3 . 16485 1 166 . 1 1 17 17 ASP C C 13 175.996 0.4 . 1 . . . . . 17 ASP C . 16485 1 167 . 1 1 17 17 ASP CA C 13 55.014 0.4 . 1 . . . . . 17 ASP CA . 16485 1 168 . 1 1 17 17 ASP CB C 13 41.522 0.4 . 1 . . . . . 17 ASP CB . 16485 1 169 . 1 1 17 17 ASP N N 15 117.298 0.1 . 1 . . . . . 17 ASP N . 16485 1 170 . 1 1 18 18 LYS H H 1 7.996 0.04 . 1 . . . . . 18 LYS H . 16485 1 171 . 1 1 18 18 LYS HA H 1 4.835 0.04 . 1 . . . . . 18 LYS HA . 16485 1 172 . 1 1 18 18 LYS HB2 H 1 1.880 0.04 . 1 . . . . . 18 LYS HB2 . 16485 1 173 . 1 1 18 18 LYS HB3 H 1 1.753 0.04 . 1 . . . . . 18 LYS HB3 . 16485 1 174 . 1 1 18 18 LYS HD2 H 1 1.741 0.04 . 2 . . . . . 18 LYS HD . 16485 1 175 . 1 1 18 18 LYS HD3 H 1 1.741 0.04 . 2 . . . . . 18 LYS HD . 16485 1 176 . 1 1 18 18 LYS HE2 H 1 2.965 0.04 . 2 . . . . . 18 LYS HE . 16485 1 177 . 1 1 18 18 LYS HE3 H 1 2.965 0.04 . 2 . . . . . 18 LYS HE . 16485 1 178 . 1 1 18 18 LYS HG2 H 1 1.393 0.04 . 1 . . . . . 18 LYS HG2 . 16485 1 179 . 1 1 18 18 LYS HG3 H 1 1.285 0.04 . 1 . . . . . 18 LYS HG3 . 16485 1 180 . 1 1 18 18 LYS CA C 13 53.000 0.4 . 1 . . . . . 18 LYS CA . 16485 1 181 . 1 1 18 18 LYS CB C 13 34.311 0.4 . 1 . . . . . 18 LYS CB . 16485 1 182 . 1 1 18 18 LYS CD C 13 29.436 0.4 . 1 . . . . . 18 LYS CD . 16485 1 183 . 1 1 18 18 LYS CG C 13 25.354 0.4 . 1 . . . . . 18 LYS CG . 16485 1 184 . 1 1 18 18 LYS N N 15 120.555 0.1 . 1 . . . . . 18 LYS N . 16485 1 185 . 1 1 19 19 PRO HA H 1 4.724 0.04 . 1 . . . . . 19 PRO HA . 16485 1 186 . 1 1 19 19 PRO HB2 H 1 2.317 0.04 . 1 . . . . . 19 PRO HB2 . 16485 1 187 . 1 1 19 19 PRO HB3 H 1 1.809 0.04 . 1 . . . . . 19 PRO HB3 . 16485 1 188 . 1 1 19 19 PRO HD2 H 1 3.645 0.04 . 2 . . . . . 19 PRO HD . 16485 1 189 . 1 1 19 19 PRO HD3 H 1 3.645 0.04 . 2 . . . . . 19 PRO HD . 16485 1 190 . 1 1 19 19 PRO HG2 H 1 1.806 0.04 . 2 . . . . . 19 PRO HG . 16485 1 191 . 1 1 19 19 PRO HG3 H 1 1.806 0.04 . 2 . . . . . 19 PRO HG . 16485 1 192 . 1 1 19 19 PRO C C 13 175.265 0.4 . 1 . . . . . 19 PRO C . 16485 1 193 . 1 1 19 19 PRO CA C 13 63.207 0.4 . 1 . . . . . 19 PRO CA . 16485 1 194 . 1 1 19 19 PRO CB C 13 28.496 0.4 . 1 . . . . . 19 PRO CB . 16485 1 195 . 1 1 19 19 PRO CD C 13 50.469 0.4 . 1 . . . . . 19 PRO CD . 16485 1 196 . 1 1 19 19 PRO CG C 13 27.398 0.4 . 1 . . . . . 19 PRO CG . 16485 1 197 . 1 1 20 20 VAL H H 1 7.915 0.04 . 1 . . . . . 20 VAL H . 16485 1 198 . 1 1 20 20 VAL HA H 1 3.947 0.04 . 1 . . . . . 20 VAL HA . 16485 1 199 . 1 1 20 20 VAL HB H 1 1.886 0.04 . 1 . . . . . 20 VAL HB . 16485 1 200 . 1 1 20 20 VAL HG11 H 1 0.770 0.04 . 2 . . . . . 20 VAL HG1 . 16485 1 201 . 1 1 20 20 VAL HG12 H 1 0.770 0.04 . 2 . . . . . 20 VAL HG1 . 16485 1 202 . 1 1 20 20 VAL HG13 H 1 0.770 0.04 . 2 . . . . . 20 VAL HG1 . 16485 1 203 . 1 1 20 20 VAL HG21 H 1 0.794 0.04 . 2 . . . . . 20 VAL HG2 . 16485 1 204 . 1 1 20 20 VAL HG22 H 1 0.794 0.04 . 2 . . . . . 20 VAL HG2 . 16485 1 205 . 1 1 20 20 VAL HG23 H 1 0.794 0.04 . 2 . . . . . 20 VAL HG2 . 16485 1 206 . 1 1 20 20 VAL C C 13 175.169 0.4 . 1 . . . . . 20 VAL C . 16485 1 207 . 1 1 20 20 VAL CA C 13 62.734 0.4 . 1 . . . . . 20 VAL CA . 16485 1 208 . 1 1 20 20 VAL CB C 13 34.536 0.4 . 1 . . . . . 20 VAL CB . 16485 1 209 . 1 1 20 20 VAL CG1 C 13 21.786 0.4 . 1 . . . . . 20 VAL CG1 . 16485 1 210 . 1 1 20 20 VAL CG2 C 13 22.845 0.4 . 1 . . . . . 20 VAL CG2 . 16485 1 211 . 1 1 20 20 VAL N N 15 124.133 0.1 . 1 . . . . . 20 VAL N . 16485 1 212 . 1 1 21 21 SER H H 1 8.585 0.04 . 1 . . . . . 21 SER H . 16485 1 213 . 1 1 21 21 SER HA H 1 4.962 0.04 . 1 . . . . . 21 SER HA . 16485 1 214 . 1 1 21 21 SER HB2 H 1 3.867 0.04 . 1 . . . . . 21 SER HB2 . 16485 1 215 . 1 1 21 21 SER HB3 H 1 3.699 0.04 . 1 . . . . . 21 SER HB3 . 16485 1 216 . 1 1 21 21 SER C C 13 172.167 0.4 . 1 . . . . . 21 SER C . 16485 1 217 . 1 1 21 21 SER CA C 13 57.308 0.4 . 1 . . . . . 21 SER CA . 16485 1 218 . 1 1 21 21 SER CB C 13 64.791 0.4 . 1 . . . . . 21 SER CB . 16485 1 219 . 1 1 21 21 SER N N 15 123.805 0.1 . 1 . . . . . 21 SER N . 16485 1 220 . 1 1 22 22 PHE H H 1 8.948 0.04 . 1 . . . . . 22 PHE H . 16485 1 221 . 1 1 22 22 PHE HA H 1 4.110 0.04 . 1 . . . . . 22 PHE HA . 16485 1 222 . 1 1 22 22 PHE HB2 H 1 2.861 0.04 . 2 . . . . . 22 PHE HB . 16485 1 223 . 1 1 22 22 PHE HB3 H 1 2.861 0.04 . 2 . . . . . 22 PHE HB . 16485 1 224 . 1 1 22 22 PHE HD1 H 1 6.583 0.04 . 3 . . . . . 22 PHE HD . 16485 1 225 . 1 1 22 22 PHE HD2 H 1 6.583 0.04 . 3 . . . . . 22 PHE HD . 16485 1 226 . 1 1 22 22 PHE HE1 H 1 7.111 0.04 . 3 . . . . . 22 PHE HE . 16485 1 227 . 1 1 22 22 PHE HE2 H 1 7.111 0.04 . 3 . . . . . 22 PHE HE . 16485 1 228 . 1 1 22 22 PHE C C 13 175.320 0.4 . 1 . . . . . 22 PHE C . 16485 1 229 . 1 1 22 22 PHE CA C 13 59.345 0.4 . 1 . . . . . 22 PHE CA . 16485 1 230 . 1 1 22 22 PHE CB C 13 42.489 0.4 . 1 . . . . . 22 PHE CB . 16485 1 231 . 1 1 22 22 PHE CD1 C 13 128.661 0.4 . 3 . . . . . 22 PHE CD1 . 16485 1 232 . 1 1 22 22 PHE N N 15 120.524 0.1 . 1 . . . . . 22 PHE N . 16485 1 233 . 1 1 23 23 HIS H H 1 8.040 0.04 . 1 . . . . . 23 HIS H . 16485 1 234 . 1 1 23 23 HIS HA H 1 4.719 0.04 . 1 . . . . . 23 HIS HA . 16485 1 235 . 1 1 23 23 HIS HB2 H 1 3.491 0.04 . 1 . . . . . 23 HIS HB2 . 16485 1 236 . 1 1 23 23 HIS HB3 H 1 3.384 0.04 . 1 . . . . . 23 HIS HB3 . 16485 1 237 . 1 1 23 23 HIS HE1 H 1 7.827 0.04 . 1 . . . . . 23 HIS HE1 . 16485 1 238 . 1 1 23 23 HIS C C 13 174.830 0.4 . 1 . . . . . 23 HIS C . 16485 1 239 . 1 1 23 23 HIS CA C 13 56.823 0.4 . 1 . . . . . 23 HIS CA . 16485 1 240 . 1 1 23 23 HIS CB C 13 30.533 0.4 . 1 . . . . . 23 HIS CB . 16485 1 241 . 1 1 23 23 HIS CE1 C 13 133.172 0.4 . 1 . . . . . 23 HIS CE1 . 16485 1 242 . 1 1 23 23 HIS N N 15 123.883 0.1 . 1 . . . . . 23 HIS N . 16485 1 243 . 1 1 24 24 LYS H H 1 9.682 0.04 . 1 . . . . . 24 LYS H . 16485 1 244 . 1 1 24 24 LYS HA H 1 4.827 0.04 . 1 . . . . . 24 LYS HA . 16485 1 245 . 1 1 24 24 LYS HB2 H 1 1.921 0.04 . 1 . . . . . 24 LYS HB2 . 16485 1 246 . 1 1 24 24 LYS HB3 H 1 1.868 0.04 . 1 . . . . . 24 LYS HB3 . 16485 1 247 . 1 1 24 24 LYS C C 13 177.275 0.4 . 1 . . . . . 24 LYS C . 16485 1 248 . 1 1 24 24 LYS CA C 13 54.751 0.4 . 1 . . . . . 24 LYS CA . 16485 1 249 . 1 1 24 24 LYS CB C 13 24.884 0.4 . 1 . . . . . 24 LYS CB . 16485 1 250 . 1 1 24 24 LYS N N 15 123.401 0.1 . 1 . . . . . 24 LYS N . 16485 1 251 . 1 1 25 25 PHE H H 1 8.595 0.04 . 1 . . . . . 25 PHE H . 16485 1 252 . 1 1 25 25 PHE HA H 1 4.052 0.04 . 1 . . . . . 25 PHE HA . 16485 1 253 . 1 1 25 25 PHE HB2 H 1 3.076 0.04 . 1 . . . . . 25 PHE HB2 . 16485 1 254 . 1 1 25 25 PHE HB3 H 1 2.600 0.04 . 1 . . . . . 25 PHE HB3 . 16485 1 255 . 1 1 25 25 PHE HD1 H 1 7.619 0.04 . 3 . . . . . 25 PHE HD . 16485 1 256 . 1 1 25 25 PHE HD2 H 1 7.619 0.04 . 3 . . . . . 25 PHE HD . 16485 1 257 . 1 1 25 25 PHE HE1 H 1 7.374 0.04 . 3 . . . . . 25 PHE HE . 16485 1 258 . 1 1 25 25 PHE HE2 H 1 7.374 0.04 . 3 . . . . . 25 PHE HE . 16485 1 259 . 1 1 25 25 PHE CA C 13 56.313 0.4 . 1 . . . . . 25 PHE CA . 16485 1 260 . 1 1 25 25 PHE CB C 13 38.438 0.4 . 1 . . . . . 25 PHE CB . 16485 1 261 . 1 1 25 25 PHE CD1 C 13 132.952 0.4 . 3 . . . . . 25 PHE CD1 . 16485 1 262 . 1 1 25 25 PHE CE1 C 13 131.375 0.4 . 3 . . . . . 25 PHE CE1 . 16485 1 263 . 1 1 25 25 PHE N N 15 117.761 0.1 . 1 . . . . . 25 PHE N . 16485 1 264 . 1 1 26 26 PRO HA H 1 4.747 0.04 . 1 . . . . . 26 PRO HA . 16485 1 265 . 1 1 26 26 PRO HB2 H 1 2.069 0.04 . 2 . . . . . 26 PRO HB . 16485 1 266 . 1 1 26 26 PRO HB3 H 1 2.069 0.04 . 2 . . . . . 26 PRO HB . 16485 1 267 . 1 1 26 26 PRO HD2 H 1 2.234 0.04 . 1 . . . . . 26 PRO HD2 . 16485 1 268 . 1 1 26 26 PRO HD3 H 1 1.212 0.04 . 1 . . . . . 26 PRO HD3 . 16485 1 269 . 1 1 26 26 PRO HG2 H 1 1.052 0.04 . 1 . . . . . 26 PRO HG2 . 16485 1 270 . 1 1 26 26 PRO HG3 H 1 0.836 0.04 . 1 . . . . . 26 PRO HG3 . 16485 1 271 . 1 1 26 26 PRO C C 13 176.484 0.4 . 1 . . . . . 26 PRO C . 16485 1 272 . 1 1 26 26 PRO CA C 13 61.127 0.4 . 1 . . . . . 26 PRO CA . 16485 1 273 . 1 1 26 26 PRO CB C 13 27.659 0.4 . 1 . . . . . 26 PRO CB . 16485 1 274 . 1 1 26 26 PRO CD C 13 49.128 0.4 . 1 . . . . . 26 PRO CD . 16485 1 275 . 1 1 26 26 PRO CG C 13 26.926 0.4 . 1 . . . . . 26 PRO CG . 16485 1 276 . 1 1 27 27 LEU H H 1 8.082 0.04 . 1 . . . . . 27 LEU H . 16485 1 277 . 1 1 27 27 LEU HA H 1 3.862 0.04 . 1 . . . . . 27 LEU HA . 16485 1 278 . 1 1 27 27 LEU HB2 H 1 1.744 0.04 . 1 . . . . . 27 LEU HB2 . 16485 1 279 . 1 1 27 27 LEU HB3 H 1 1.413 0.04 . 1 . . . . . 27 LEU HB3 . 16485 1 280 . 1 1 27 27 LEU HD11 H 1 0.690 0.04 . 2 . . . . . 27 LEU HD1 . 16485 1 281 . 1 1 27 27 LEU HD12 H 1 0.690 0.04 . 2 . . . . . 27 LEU HD1 . 16485 1 282 . 1 1 27 27 LEU HD13 H 1 0.690 0.04 . 2 . . . . . 27 LEU HD1 . 16485 1 283 . 1 1 27 27 LEU HD21 H 1 0.645 0.04 . 2 . . . . . 27 LEU HD2 . 16485 1 284 . 1 1 27 27 LEU HD22 H 1 0.645 0.04 . 2 . . . . . 27 LEU HD2 . 16485 1 285 . 1 1 27 27 LEU HD23 H 1 0.645 0.04 . 2 . . . . . 27 LEU HD2 . 16485 1 286 . 1 1 27 27 LEU HG H 1 1.556 0.04 . 1 . . . . . 27 LEU HG . 16485 1 287 . 1 1 27 27 LEU C C 13 179.096 0.4 . 1 . . . . . 27 LEU C . 16485 1 288 . 1 1 27 27 LEU CA C 13 58.323 0.4 . 1 . . . . . 27 LEU CA . 16485 1 289 . 1 1 27 27 LEU CB C 13 42.498 0.4 . 1 . . . . . 27 LEU CB . 16485 1 290 . 1 1 27 27 LEU CD1 C 13 25.135 0.4 . 1 . . . . . 27 LEU CD1 . 16485 1 291 . 1 1 27 27 LEU CD2 C 13 23.569 0.4 . 1 . . . . . 27 LEU CD2 . 16485 1 292 . 1 1 27 27 LEU CG C 13 27.431 0.4 . 1 . . . . . 27 LEU CG . 16485 1 293 . 1 1 27 27 LEU N N 15 122.381 0.1 . 1 . . . . . 27 LEU N . 16485 1 294 . 1 1 28 28 THR H H 1 7.839 0.04 . 1 . . . . . 28 THR H . 16485 1 295 . 1 1 28 28 THR HA H 1 4.283 0.04 . 1 . . . . . 28 THR HA . 16485 1 296 . 1 1 28 28 THR HB H 1 4.577 0.04 . 1 . . . . . 28 THR HB . 16485 1 297 . 1 1 28 28 THR HG21 H 1 1.287 0.04 . 1 . . . . . 28 THR HG2 . 16485 1 298 . 1 1 28 28 THR HG22 H 1 1.287 0.04 . 1 . . . . . 28 THR HG2 . 16485 1 299 . 1 1 28 28 THR HG23 H 1 1.287 0.04 . 1 . . . . . 28 THR HG2 . 16485 1 300 . 1 1 28 28 THR C C 13 174.189 0.4 . 1 . . . . . 28 THR C . 16485 1 301 . 1 1 28 28 THR CA C 13 62.152 0.4 . 1 . . . . . 28 THR CA . 16485 1 302 . 1 1 28 28 THR CB C 13 69.290 0.4 . 1 . . . . . 28 THR CB . 16485 1 303 . 1 1 28 28 THR CG2 C 13 22.303 0.4 . 1 . . . . . 28 THR CG2 . 16485 1 304 . 1 1 28 28 THR N N 15 104.724 0.1 . 1 . . . . . 28 THR N . 16485 1 305 . 1 1 29 29 ARG H H 1 7.740 0.04 . 1 . . . . . 29 ARG H . 16485 1 306 . 1 1 29 29 ARG HA H 1 4.910 0.04 . 1 . . . . . 29 ARG HA . 16485 1 307 . 1 1 29 29 ARG HB2 H 1 1.933 0.04 . 1 . . . . . 29 ARG HB2 . 16485 1 308 . 1 1 29 29 ARG HB3 H 1 1.833 0.04 . 1 . . . . . 29 ARG HB3 . 16485 1 309 . 1 1 29 29 ARG HD2 H 1 3.260 0.04 . 1 . . . . . 29 ARG HD2 . 16485 1 310 . 1 1 29 29 ARG HD3 H 1 3.133 0.04 . 1 . . . . . 29 ARG HD3 . 16485 1 311 . 1 1 29 29 ARG HE H 1 6.998 0.04 . 1 . . . . . 29 ARG HE . 16485 1 312 . 1 1 29 29 ARG HG2 H 1 1.663 0.04 . 1 . . . . . 29 ARG HG2 . 16485 1 313 . 1 1 29 29 ARG HG3 H 1 1.478 0.04 . 1 . . . . . 29 ARG HG3 . 16485 1 314 . 1 1 29 29 ARG HH11 H 1 6.689 0.04 . 2 . . . . . 29 ARG HH1 . 16485 1 315 . 1 1 29 29 ARG HH12 H 1 6.689 0.04 . 2 . . . . . 29 ARG HH1 . 16485 1 316 . 1 1 29 29 ARG CA C 13 53.960 0.4 . 1 . . . . . 29 ARG CA . 16485 1 317 . 1 1 29 29 ARG CB C 13 31.131 0.4 . 1 . . . . . 29 ARG CB . 16485 1 318 . 1 1 29 29 ARG CD C 13 44.273 0.4 . 1 . . . . . 29 ARG CD . 16485 1 319 . 1 1 29 29 ARG CG C 13 26.677 0.4 . 1 . . . . . 29 ARG CG . 16485 1 320 . 1 1 29 29 ARG N N 15 123.351 0.1 . 1 . . . . . 29 ARG N . 16485 1 321 . 1 1 29 29 ARG NH1 N 15 109.273 0.1 . 2 . . . . . 29 ARG NH1 . 16485 1 322 . 1 1 30 30 PRO HA H 1 4.095 0.04 . 1 . . . . . 30 PRO HA . 16485 1 323 . 1 1 30 30 PRO HB2 H 1 2.407 0.04 . 1 . . . . . 30 PRO HB2 . 16485 1 324 . 1 1 30 30 PRO HB3 H 1 1.994 0.04 . 1 . . . . . 30 PRO HB3 . 16485 1 325 . 1 1 30 30 PRO HD2 H 1 3.774 0.04 . 1 . . . . . 30 PRO HD2 . 16485 1 326 . 1 1 30 30 PRO HD3 H 1 3.574 0.04 . 1 . . . . . 30 PRO HD3 . 16485 1 327 . 1 1 30 30 PRO HG2 H 1 2.120 0.04 . 1 . . . . . 30 PRO HG2 . 16485 1 328 . 1 1 30 30 PRO HG3 H 1 1.975 0.04 . 1 . . . . . 30 PRO HG3 . 16485 1 329 . 1 1 30 30 PRO C C 13 178.948 0.4 . 1 . . . . . 30 PRO C . 16485 1 330 . 1 1 30 30 PRO CA C 13 66.495 0.4 . 1 . . . . . 30 PRO CA . 16485 1 331 . 1 1 30 30 PRO CB C 13 32.510 0.4 . 1 . . . . . 30 PRO CB . 16485 1 332 . 1 1 30 30 PRO CD C 13 50.665 0.4 . 1 . . . . . 30 PRO CD . 16485 1 333 . 1 1 30 30 PRO CG C 13 27.671 0.4 . 1 . . . . . 30 PRO CG . 16485 1 334 . 1 1 31 31 SER H H 1 8.621 0.04 . 1 . . . . . 31 SER H . 16485 1 335 . 1 1 31 31 SER HA H 1 3.937 0.04 . 1 . . . . . 31 SER HA . 16485 1 336 . 1 1 31 31 SER HB2 H 1 4.217 0.04 . 2 . . . . . 31 SER HB . 16485 1 337 . 1 1 31 31 SER HB3 H 1 4.217 0.04 . 2 . . . . . 31 SER HB . 16485 1 338 . 1 1 31 31 SER C C 13 176.486 0.4 . 1 . . . . . 31 SER C . 16485 1 339 . 1 1 31 31 SER CA C 13 62.170 0.4 . 1 . . . . . 31 SER CA . 16485 1 340 . 1 1 31 31 SER CB C 13 62.160 0.4 . 1 . . . . . 31 SER CB . 16485 1 341 . 1 1 31 31 SER N N 15 113.203 0.1 . 1 . . . . . 31 SER N . 16485 1 342 . 1 1 32 32 LEU H H 1 7.305 0.04 . 1 . . . . . 32 LEU H . 16485 1 343 . 1 1 32 32 LEU HA H 1 4.446 0.04 . 1 . . . . . 32 LEU HA . 16485 1 344 . 1 1 32 32 LEU HB2 H 1 1.881 0.04 . 1 . . . . . 32 LEU HB2 . 16485 1 345 . 1 1 32 32 LEU HB3 H 1 1.615 0.04 . 1 . . . . . 32 LEU HB3 . 16485 1 346 . 1 1 32 32 LEU HD11 H 1 1.089 0.04 . 2 . . . . . 32 LEU HD1 . 16485 1 347 . 1 1 32 32 LEU HD12 H 1 1.089 0.04 . 2 . . . . . 32 LEU HD1 . 16485 1 348 . 1 1 32 32 LEU HD13 H 1 1.089 0.04 . 2 . . . . . 32 LEU HD1 . 16485 1 349 . 1 1 32 32 LEU HD21 H 1 1.084 0.04 . 2 . . . . . 32 LEU HD2 . 16485 1 350 . 1 1 32 32 LEU HD22 H 1 1.084 0.04 . 2 . . . . . 32 LEU HD2 . 16485 1 351 . 1 1 32 32 LEU HD23 H 1 1.084 0.04 . 2 . . . . . 32 LEU HD2 . 16485 1 352 . 1 1 32 32 LEU C C 13 178.884 0.4 . 1 . . . . . 32 LEU C . 16485 1 353 . 1 1 32 32 LEU CA C 13 57.162 0.4 . 1 . . . . . 32 LEU CA . 16485 1 354 . 1 1 32 32 LEU CB C 13 43.012 0.4 . 1 . . . . . 32 LEU CB . 16485 1 355 . 1 1 32 32 LEU CD1 C 13 26.429 0.4 . 1 . . . . . 32 LEU CD1 . 16485 1 356 . 1 1 32 32 LEU CD2 C 13 24.087 0.4 . 1 . . . . . 32 LEU CD2 . 16485 1 357 . 1 1 32 32 LEU N N 15 125.093 0.1 . 1 . . . . . 32 LEU N . 16485 1 358 . 1 1 33 33 CYS H H 1 8.926 0.04 . 1 . . . . . 33 CYS H . 16485 1 359 . 1 1 33 33 CYS HA H 1 3.668 0.04 . 1 . . . . . 33 CYS HA . 16485 1 360 . 1 1 33 33 CYS HB2 H 1 3.138 0.04 . 1 . . . . . 33 CYS HB2 . 16485 1 361 . 1 1 33 33 CYS HB3 H 1 2.836 0.04 . 1 . . . . . 33 CYS HB3 . 16485 1 362 . 1 1 33 33 CYS C C 13 177.283 0.4 . 1 . . . . . 33 CYS C . 16485 1 363 . 1 1 33 33 CYS CA C 13 64.720 0.4 . 1 . . . . . 33 CYS CA . 16485 1 364 . 1 1 33 33 CYS CB C 13 26.391 0.4 . 1 . . . . . 33 CYS CB . 16485 1 365 . 1 1 33 33 CYS N N 15 120.213 0.1 . 1 . . . . . 33 CYS N . 16485 1 366 . 1 1 34 34 LYS H H 1 8.139 0.04 . 1 . . . . . 34 LYS H . 16485 1 367 . 1 1 34 34 LYS HA H 1 4.172 0.04 . 1 . . . . . 34 LYS HA . 16485 1 368 . 1 1 34 34 LYS HB2 H 1 2.039 0.04 . 1 . . . . . 34 LYS HB2 . 16485 1 369 . 1 1 34 34 LYS HB3 H 1 1.975 0.04 . 1 . . . . . 34 LYS HB3 . 16485 1 370 . 1 1 34 34 LYS HD2 H 1 1.722 0.04 . 1 . . . . . 34 LYS HD2 . 16485 1 371 . 1 1 34 34 LYS HD3 H 1 1.612 0.04 . 1 . . . . . 34 LYS HD3 . 16485 1 372 . 1 1 34 34 LYS HE2 H 1 2.995 0.04 . 2 . . . . . 34 LYS HE . 16485 1 373 . 1 1 34 34 LYS HE3 H 1 2.995 0.04 . 2 . . . . . 34 LYS HE . 16485 1 374 . 1 1 34 34 LYS HG2 H 1 1.623 0.04 . 1 . . . . . 34 LYS HG2 . 16485 1 375 . 1 1 34 34 LYS HG3 H 1 1.567 0.04 . 1 . . . . . 34 LYS HG3 . 16485 1 376 . 1 1 34 34 LYS C C 13 179.653 0.4 . 1 . . . . . 34 LYS C . 16485 1 377 . 1 1 34 34 LYS CA C 13 59.836 0.4 . 1 . . . . . 34 LYS CA . 16485 1 378 . 1 1 34 34 LYS CB C 13 32.251 0.4 . 1 . . . . . 34 LYS CB . 16485 1 379 . 1 1 34 34 LYS CD C 13 29.220 0.4 . 1 . . . . . 34 LYS CD . 16485 1 380 . 1 1 34 34 LYS CE C 13 42.449 0.4 . 1 . . . . . 34 LYS CE . 16485 1 381 . 1 1 34 34 LYS CG C 13 25.091 0.4 . 1 . . . . . 34 LYS CG . 16485 1 382 . 1 1 34 34 LYS N N 15 117.260 0.1 . 1 . . . . . 34 LYS N . 16485 1 383 . 1 1 35 35 GLU H H 1 7.586 0.04 . 1 . . . . . 35 GLU H . 16485 1 384 . 1 1 35 35 GLU HA H 1 4.362 0.04 . 1 . . . . . 35 GLU HA . 16485 1 385 . 1 1 35 35 GLU HB2 H 1 2.614 0.04 . 1 . . . . . 35 GLU HB2 . 16485 1 386 . 1 1 35 35 GLU HB3 H 1 2.358 0.04 . 1 . . . . . 35 GLU HB3 . 16485 1 387 . 1 1 35 35 GLU HG2 H 1 2.664 0.04 . 1 . . . . . 35 GLU HG2 . 16485 1 388 . 1 1 35 35 GLU HG3 H 1 2.391 0.04 . 1 . . . . . 35 GLU HG3 . 16485 1 389 . 1 1 35 35 GLU C C 13 180.504 0.4 . 1 . . . . . 35 GLU C . 16485 1 390 . 1 1 35 35 GLU CA C 13 59.909 0.4 . 1 . . . . . 35 GLU CA . 16485 1 391 . 1 1 35 35 GLU CB C 13 29.981 0.4 . 1 . . . . . 35 GLU CB . 16485 1 392 . 1 1 35 35 GLU CG C 13 36.618 0.4 . 1 . . . . . 35 GLU CG . 16485 1 393 . 1 1 35 35 GLU N N 15 119.345 0.1 . 1 . . . . . 35 GLU N . 16485 1 394 . 1 1 36 36 TRP H H 1 8.556 0.04 . 1 . . . . . 36 TRP H . 16485 1 395 . 1 1 36 36 TRP HA H 1 4.163 0.04 . 1 . . . . . 36 TRP HA . 16485 1 396 . 1 1 36 36 TRP HB2 H 1 3.775 0.04 . 1 . . . . . 36 TRP HB2 . 16485 1 397 . 1 1 36 36 TRP HB3 H 1 3.151 0.04 . 1 . . . . . 36 TRP HB3 . 16485 1 398 . 1 1 36 36 TRP HD1 H 1 7.396 0.04 . 1 . . . . . 36 TRP HD1 . 16485 1 399 . 1 1 36 36 TRP HE1 H 1 10.573 0.04 . 1 . . . . . 36 TRP HE1 . 16485 1 400 . 1 1 36 36 TRP HE3 H 1 6.079 0.04 . 1 . . . . . 36 TRP HE3 . 16485 1 401 . 1 1 36 36 TRP HH2 H 1 7.105 0.04 . 1 . . . . . 36 TRP HH2 . 16485 1 402 . 1 1 36 36 TRP HZ2 H 1 7.347 0.04 . 1 . . . . . 36 TRP HZ2 . 16485 1 403 . 1 1 36 36 TRP HZ3 H 1 6.707 0.04 . 1 . . . . . 36 TRP HZ3 . 16485 1 404 . 1 1 36 36 TRP C C 13 178.338 0.4 . 1 . . . . . 36 TRP C . 16485 1 405 . 1 1 36 36 TRP CA C 13 62.423 0.4 . 1 . . . . . 36 TRP CA . 16485 1 406 . 1 1 36 36 TRP CB C 13 28.817 0.4 . 1 . . . . . 36 TRP CB . 16485 1 407 . 1 1 36 36 TRP CD1 C 13 123.925 0.4 . 1 . . . . . 36 TRP CD1 . 16485 1 408 . 1 1 36 36 TRP CE3 C 13 119.992 0.4 . 1 . . . . . 36 TRP CE3 . 16485 1 409 . 1 1 36 36 TRP CH2 C 13 127.862 0.4 . 1 . . . . . 36 TRP CH2 . 16485 1 410 . 1 1 36 36 TRP CZ2 C 13 114.217 0.4 . 1 . . . . . 36 TRP CZ2 . 16485 1 411 . 1 1 36 36 TRP CZ3 C 13 123.801 0.4 . 1 . . . . . 36 TRP CZ3 . 16485 1 412 . 1 1 36 36 TRP N N 15 122.177 0.1 . 1 . . . . . 36 TRP N . 16485 1 413 . 1 1 36 36 TRP NE1 N 15 128.426 0.1 . 1 . . . . . 36 TRP NE1 . 16485 1 414 . 1 1 37 37 GLU H H 1 9.139 0.04 . 1 . . . . . 37 GLU H . 16485 1 415 . 1 1 37 37 GLU HA H 1 4.118 0.04 . 1 . . . . . 37 GLU HA . 16485 1 416 . 1 1 37 37 GLU HB2 H 1 2.402 0.04 . 1 . . . . . 37 GLU HB2 . 16485 1 417 . 1 1 37 37 GLU HB3 H 1 2.365 0.04 . 1 . . . . . 37 GLU HB3 . 16485 1 418 . 1 1 37 37 GLU HG2 H 1 2.875 0.04 . 1 . . . . . 37 GLU HG2 . 16485 1 419 . 1 1 37 37 GLU HG3 H 1 2.212 0.04 . 1 . . . . . 37 GLU HG3 . 16485 1 420 . 1 1 37 37 GLU C C 13 179.338 0.4 . 1 . . . . . 37 GLU C . 16485 1 421 . 1 1 37 37 GLU CA C 13 60.909 0.4 . 1 . . . . . 37 GLU CA . 16485 1 422 . 1 1 37 37 GLU CB C 13 30.476 0.4 . 1 . . . . . 37 GLU CB . 16485 1 423 . 1 1 37 37 GLU CG C 13 38.836 0.4 . 1 . . . . . 37 GLU CG . 16485 1 424 . 1 1 37 37 GLU N N 15 117.833 0.1 . 1 . . . . . 37 GLU N . 16485 1 425 . 1 1 38 38 ALA H H 1 8.071 0.04 . 1 . . . . . 38 ALA H . 16485 1 426 . 1 1 38 38 ALA HA H 1 4.199 0.04 . 1 . . . . . 38 ALA HA . 16485 1 427 . 1 1 38 38 ALA HB1 H 1 1.545 0.04 . 1 . . . . . 38 ALA HB . 16485 1 428 . 1 1 38 38 ALA HB2 H 1 1.545 0.04 . 1 . . . . . 38 ALA HB . 16485 1 429 . 1 1 38 38 ALA HB3 H 1 1.545 0.04 . 1 . . . . . 38 ALA HB . 16485 1 430 . 1 1 38 38 ALA C C 13 179.157 0.4 . 1 . . . . . 38 ALA C . 16485 1 431 . 1 1 38 38 ALA CA C 13 54.669 0.4 . 1 . . . . . 38 ALA CA . 16485 1 432 . 1 1 38 38 ALA CB C 13 18.451 0.4 . 1 . . . . . 38 ALA CB . 16485 1 433 . 1 1 38 38 ALA N N 15 121.446 0.1 . 1 . . . . . 38 ALA N . 16485 1 434 . 1 1 39 39 ALA H H 1 7.499 0.04 . 1 . . . . . 39 ALA H . 16485 1 435 . 1 1 39 39 ALA HA H 1 3.834 0.04 . 1 . . . . . 39 ALA HA . 16485 1 436 . 1 1 39 39 ALA HB1 H 1 1.395 0.04 . 1 . . . . . 39 ALA HB . 16485 1 437 . 1 1 39 39 ALA HB2 H 1 1.395 0.04 . 1 . . . . . 39 ALA HB . 16485 1 438 . 1 1 39 39 ALA HB3 H 1 1.395 0.04 . 1 . . . . . 39 ALA HB . 16485 1 439 . 1 1 39 39 ALA C C 13 177.705 0.4 . 1 . . . . . 39 ALA C . 16485 1 440 . 1 1 39 39 ALA CA C 13 53.711 0.4 . 1 . . . . . 39 ALA CA . 16485 1 441 . 1 1 39 39 ALA CB C 13 19.484 0.4 . 1 . . . . . 39 ALA CB . 16485 1 442 . 1 1 39 39 ALA N N 15 119.293 0.1 . 1 . . . . . 39 ALA N . 16485 1 443 . 1 1 40 40 VAL H H 1 7.437 0.04 . 1 . . . . . 40 VAL H . 16485 1 444 . 1 1 40 40 VAL HA H 1 3.238 0.04 . 1 . . . . . 40 VAL HA . 16485 1 445 . 1 1 40 40 VAL HB H 1 2.205 0.04 . 1 . . . . . 40 VAL HB . 16485 1 446 . 1 1 40 40 VAL HG11 H 1 0.704 0.04 . 2 . . . . . 40 VAL HG1 . 16485 1 447 . 1 1 40 40 VAL HG12 H 1 0.704 0.04 . 2 . . . . . 40 VAL HG1 . 16485 1 448 . 1 1 40 40 VAL HG13 H 1 0.704 0.04 . 2 . . . . . 40 VAL HG1 . 16485 1 449 . 1 1 40 40 VAL HG21 H 1 0.938 0.04 . 2 . . . . . 40 VAL HG2 . 16485 1 450 . 1 1 40 40 VAL HG22 H 1 0.938 0.04 . 2 . . . . . 40 VAL HG2 . 16485 1 451 . 1 1 40 40 VAL HG23 H 1 0.938 0.04 . 2 . . . . . 40 VAL HG2 . 16485 1 452 . 1 1 40 40 VAL C C 13 175.897 0.4 . 1 . . . . . 40 VAL C . 16485 1 453 . 1 1 40 40 VAL CA C 13 64.201 0.4 . 1 . . . . . 40 VAL CA . 16485 1 454 . 1 1 40 40 VAL CB C 13 32.543 0.4 . 1 . . . . . 40 VAL CB . 16485 1 455 . 1 1 40 40 VAL CG1 C 13 21.558 0.4 . 1 . . . . . 40 VAL CG1 . 16485 1 456 . 1 1 40 40 VAL CG2 C 13 22.565 0.4 . 1 . . . . . 40 VAL CG2 . 16485 1 457 . 1 1 40 40 VAL N N 15 113.983 0.1 . 1 . . . . . 40 VAL N . 16485 1 458 . 1 1 41 41 ARG H H 1 7.353 0.04 . 1 . . . . . 41 ARG H . 16485 1 459 . 1 1 41 41 ARG HA H 1 3.759 0.04 . 1 . . . . . 41 ARG HA . 16485 1 460 . 1 1 41 41 ARG HB2 H 1 1.654 0.04 . 1 . . . . . 41 ARG HB2 . 16485 1 461 . 1 1 41 41 ARG HB3 H 1 1.800 0.04 . 1 . . . . . 41 ARG HB3 . 16485 1 462 . 1 1 41 41 ARG HD2 H 1 2.917 0.04 . 1 . . . . . 41 ARG HD2 . 16485 1 463 . 1 1 41 41 ARG HD3 H 1 2.856 0.04 . 1 . . . . . 41 ARG HD3 . 16485 1 464 . 1 1 41 41 ARG HE H 1 6.952 0.04 . 1 . . . . . 41 ARG HE . 16485 1 465 . 1 1 41 41 ARG HG2 H 1 1.427 0.04 . 2 . . . . . 41 ARG HG . 16485 1 466 . 1 1 41 41 ARG HG3 H 1 1.427 0.04 . 2 . . . . . 41 ARG HG . 16485 1 467 . 1 1 41 41 ARG C C 13 174.867 0.4 . 1 . . . . . 41 ARG C . 16485 1 468 . 1 1 41 41 ARG CA C 13 57.357 0.4 . 1 . . . . . 41 ARG CA . 16485 1 469 . 1 1 41 41 ARG CB C 13 28.318 0.4 . 1 . . . . . 41 ARG CB . 16485 1 470 . 1 1 41 41 ARG CD C 13 44.025 0.4 . 1 . . . . . 41 ARG CD . 16485 1 471 . 1 1 41 41 ARG CG C 13 27.592 0.4 . 1 . . . . . 41 ARG CG . 16485 1 472 . 1 1 41 41 ARG N N 15 114.227 0.1 . 1 . . . . . 41 ARG N . 16485 1 473 . 1 1 42 42 ARG H H 1 8.269 0.04 . 1 . . . . . 42 ARG H . 16485 1 474 . 1 1 42 42 ARG HA H 1 4.502 0.04 . 1 . . . . . 42 ARG HA . 16485 1 475 . 1 1 42 42 ARG HB2 H 1 1.878 0.04 . 1 . . . . . 42 ARG HB2 . 16485 1 476 . 1 1 42 42 ARG HB3 H 1 1.440 0.04 . 1 . . . . . 42 ARG HB3 . 16485 1 477 . 1 1 42 42 ARG HD2 H 1 2.994 0.04 . 2 . . . . . 42 ARG HD . 16485 1 478 . 1 1 42 42 ARG HD3 H 1 2.994 0.04 . 2 . . . . . 42 ARG HD . 16485 1 479 . 1 1 42 42 ARG HE H 1 7.172 0.04 . 1 . . . . . 42 ARG HE . 16485 1 480 . 1 1 42 42 ARG HG2 H 1 1.663 0.04 . 2 . . . . . 42 ARG HG . 16485 1 481 . 1 1 42 42 ARG HG3 H 1 1.663 0.04 . 2 . . . . . 42 ARG HG . 16485 1 482 . 1 1 42 42 ARG C C 13 176.160 0.4 . 1 . . . . . 42 ARG C . 16485 1 483 . 1 1 42 42 ARG CA C 13 55.251 0.4 . 1 . . . . . 42 ARG CA . 16485 1 484 . 1 1 42 42 ARG CB C 13 33.696 0.4 . 1 . . . . . 42 ARG CB . 16485 1 485 . 1 1 42 42 ARG CD C 13 39.897 0.4 . 1 . . . . . 42 ARG CD . 16485 1 486 . 1 1 42 42 ARG CG C 13 27.413 0.4 . 1 . . . . . 42 ARG CG . 16485 1 487 . 1 1 42 42 ARG N N 15 118.239 0.1 . 1 . . . . . 42 ARG N . 16485 1 488 . 1 1 43 43 LYS H H 1 8.590 0.04 . 1 . . . . . 43 LYS H . 16485 1 489 . 1 1 43 43 LYS HA H 1 4.142 0.04 . 1 . . . . . 43 LYS HA . 16485 1 490 . 1 1 43 43 LYS HB2 H 1 1.749 0.04 . 2 . . . . . 43 LYS HB . 16485 1 491 . 1 1 43 43 LYS HB3 H 1 1.749 0.04 . 2 . . . . . 43 LYS HB . 16485 1 492 . 1 1 43 43 LYS HD2 H 1 1.665 0.04 . 2 . . . . . 43 LYS HD . 16485 1 493 . 1 1 43 43 LYS HD3 H 1 1.665 0.04 . 2 . . . . . 43 LYS HD . 16485 1 494 . 1 1 43 43 LYS HE2 H 1 2.972 0.04 . 2 . . . . . 43 LYS HE . 16485 1 495 . 1 1 43 43 LYS HE3 H 1 2.972 0.04 . 2 . . . . . 43 LYS HE . 16485 1 496 . 1 1 43 43 LYS HG2 H 1 1.449 0.04 . 1 . . . . . 43 LYS HG2 . 16485 1 497 . 1 1 43 43 LYS HG3 H 1 1.387 0.04 . 1 . . . . . 43 LYS HG3 . 16485 1 498 . 1 1 43 43 LYS C C 13 177.035 0.4 . 1 . . . . . 43 LYS C . 16485 1 499 . 1 1 43 43 LYS CA C 13 57.562 0.4 . 1 . . . . . 43 LYS CA . 16485 1 500 . 1 1 43 43 LYS CB C 13 32.897 0.4 . 1 . . . . . 43 LYS CB . 16485 1 501 . 1 1 43 43 LYS CD C 13 29.404 0.4 . 1 . . . . . 43 LYS CD . 16485 1 502 . 1 1 43 43 LYS CE C 13 42.221 0.4 . 1 . . . . . 43 LYS CE . 16485 1 503 . 1 1 43 43 LYS CG C 13 25.005 0.4 . 1 . . . . . 43 LYS CG . 16485 1 504 . 1 1 43 43 LYS N N 15 124.413 0.1 . 1 . . . . . 43 LYS N . 16485 1 505 . 1 1 44 44 ASN H H 1 8.994 0.04 . 1 . . . . . 44 ASN H . 16485 1 506 . 1 1 44 44 ASN HA H 1 4.456 0.04 . 1 . . . . . 44 ASN HA . 16485 1 507 . 1 1 44 44 ASN HB2 H 1 2.971 0.04 . 1 . . . . . 44 ASN HB2 . 16485 1 508 . 1 1 44 44 ASN HB3 H 1 2.897 0.04 . 1 . . . . . 44 ASN HB3 . 16485 1 509 . 1 1 44 44 ASN HD21 H 1 7.677 0.04 . 1 . . . . . 44 ASN HD21 . 16485 1 510 . 1 1 44 44 ASN HD22 H 1 6.976 0.04 . 1 . . . . . 44 ASN HD22 . 16485 1 511 . 1 1 44 44 ASN C C 13 173.844 0.4 . 1 . . . . . 44 ASN C . 16485 1 512 . 1 1 44 44 ASN CA C 13 54.103 0.4 . 1 . . . . . 44 ASN CA . 16485 1 513 . 1 1 44 44 ASN CB C 13 37.668 0.4 . 1 . . . . . 44 ASN CB . 16485 1 514 . 1 1 44 44 ASN N N 15 118.472 0.1 . 1 . . . . . 44 ASN N . 16485 1 515 . 1 1 44 44 ASN ND2 N 15 112.673 0.1 . 1 . . . . . 44 ASN ND2 . 16485 1 516 . 1 1 45 45 PHE H H 1 7.774 0.04 . 1 . . . . . 45 PHE H . 16485 1 517 . 1 1 45 45 PHE HA H 1 4.684 0.04 . 1 . . . . . 45 PHE HA . 16485 1 518 . 1 1 45 45 PHE HB2 H 1 2.949 0.04 . 1 . . . . . 45 PHE HB2 . 16485 1 519 . 1 1 45 45 PHE HB3 H 1 2.802 0.04 . 1 . . . . . 45 PHE HB3 . 16485 1 520 . 1 1 45 45 PHE HD1 H 1 7.234 0.04 . 3 . . . . . 45 PHE HD . 16485 1 521 . 1 1 45 45 PHE HD2 H 1 7.234 0.04 . 3 . . . . . 45 PHE HD . 16485 1 522 . 1 1 45 45 PHE HE1 H 1 6.973 0.04 . 3 . . . . . 45 PHE HE . 16485 1 523 . 1 1 45 45 PHE HE2 H 1 6.973 0.04 . 3 . . . . . 45 PHE HE . 16485 1 524 . 1 1 45 45 PHE C C 13 174.163 0.4 . 1 . . . . . 45 PHE C . 16485 1 525 . 1 1 45 45 PHE CA C 13 57.839 0.4 . 1 . . . . . 45 PHE CA . 16485 1 526 . 1 1 45 45 PHE CB C 13 41.979 0.4 . 1 . . . . . 45 PHE CB . 16485 1 527 . 1 1 45 45 PHE CD1 C 13 131.852 0.4 . 3 . . . . . 45 PHE CD1 . 16485 1 528 . 1 1 45 45 PHE N N 15 119.627 0.1 . 1 . . . . . 45 PHE N . 16485 1 529 . 1 1 46 46 LYS H H 1 7.702 0.04 . 1 . . . . . 46 LYS H . 16485 1 530 . 1 1 46 46 LYS HA H 1 4.328 0.04 . 1 . . . . . 46 LYS HA . 16485 1 531 . 1 1 46 46 LYS HB2 H 1 1.418 0.04 . 1 . . . . . 46 LYS HB2 . 16485 1 532 . 1 1 46 46 LYS HB3 H 1 1.493 0.04 . 1 . . . . . 46 LYS HB3 . 16485 1 533 . 1 1 46 46 LYS HD2 H 1 1.576 0.04 . 2 . . . . . 46 LYS HD . 16485 1 534 . 1 1 46 46 LYS HD3 H 1 1.576 0.04 . 2 . . . . . 46 LYS HD . 16485 1 535 . 1 1 46 46 LYS HE2 H 1 2.901 0.04 . 2 . . . . . 46 LYS HE . 16485 1 536 . 1 1 46 46 LYS HE3 H 1 2.901 0.04 . 2 . . . . . 46 LYS HE . 16485 1 537 . 1 1 46 46 LYS HG2 H 1 1.253 0.04 . 1 . . . . . 46 LYS HG2 . 16485 1 538 . 1 1 46 46 LYS HG3 H 1 1.176 0.04 . 1 . . . . . 46 LYS HG3 . 16485 1 539 . 1 1 46 46 LYS CA C 13 52.180 0.4 . 1 . . . . . 46 LYS CA . 16485 1 540 . 1 1 46 46 LYS CB C 13 34.109 0.4 . 1 . . . . . 46 LYS CB . 16485 1 541 . 1 1 46 46 LYS CD C 13 29.205 0.4 . 1 . . . . . 46 LYS CD . 16485 1 542 . 1 1 46 46 LYS CE C 13 42.241 0.4 . 1 . . . . . 46 LYS CE . 16485 1 543 . 1 1 46 46 LYS CG C 13 24.101 0.4 . 1 . . . . . 46 LYS CG . 16485 1 544 . 1 1 46 46 LYS N N 15 129.692 0.1 . 1 . . . . . 46 LYS N . 16485 1 545 . 1 1 47 47 PRO HA H 1 3.870 0.04 . 1 . . . . . 47 PRO HA . 16485 1 546 . 1 1 47 47 PRO HB2 H 1 1.165 0.04 . 1 . . . . . 47 PRO HB2 . 16485 1 547 . 1 1 47 47 PRO HB3 H 1 0.707 0.04 . 1 . . . . . 47 PRO HB3 . 16485 1 548 . 1 1 47 47 PRO HD2 H 1 3.411 0.04 . 1 . . . . . 47 PRO HD2 . 16485 1 549 . 1 1 47 47 PRO HD3 H 1 2.890 0.04 . 1 . . . . . 47 PRO HD3 . 16485 1 550 . 1 1 47 47 PRO HG2 H 1 1.558 0.04 . 2 . . . . . 47 PRO HG . 16485 1 551 . 1 1 47 47 PRO HG3 H 1 1.558 0.04 . 2 . . . . . 47 PRO HG . 16485 1 552 . 1 1 47 47 PRO C C 13 175.811 0.4 . 1 . . . . . 47 PRO C . 16485 1 553 . 1 1 47 47 PRO CA C 13 61.914 0.4 . 1 . . . . . 47 PRO CA . 16485 1 554 . 1 1 47 47 PRO CB C 13 31.495 0.4 . 1 . . . . . 47 PRO CB . 16485 1 555 . 1 1 47 47 PRO CD C 13 50.428 0.4 . 1 . . . . . 47 PRO CD . 16485 1 556 . 1 1 47 47 PRO CG C 13 27.417 0.4 . 1 . . . . . 47 PRO CG . 16485 1 557 . 1 1 48 48 THR H H 1 8.892 0.04 . 1 . . . . . 48 THR H . 16485 1 558 . 1 1 48 48 THR HA H 1 4.562 0.04 . 1 . . . . . 48 THR HA . 16485 1 559 . 1 1 48 48 THR HB H 1 4.631 0.04 . 1 . . . . . 48 THR HB . 16485 1 560 . 1 1 48 48 THR HG21 H 1 1.313 0.04 . 1 . . . . . 48 THR HG2 . 16485 1 561 . 1 1 48 48 THR HG22 H 1 1.313 0.04 . 1 . . . . . 48 THR HG2 . 16485 1 562 . 1 1 48 48 THR HG23 H 1 1.313 0.04 . 1 . . . . . 48 THR HG2 . 16485 1 563 . 1 1 48 48 THR C C 13 176.401 0.4 . 1 . . . . . 48 THR C . 16485 1 564 . 1 1 48 48 THR CA C 13 59.351 0.4 . 1 . . . . . 48 THR CA . 16485 1 565 . 1 1 48 48 THR CB C 13 73.218 0.4 . 1 . . . . . 48 THR CB . 16485 1 566 . 1 1 48 48 THR CG2 C 13 21.398 0.4 . 1 . . . . . 48 THR CG2 . 16485 1 567 . 1 1 48 48 THR N N 15 112.059 0.1 . 1 . . . . . 48 THR N . 16485 1 568 . 1 1 49 49 LYS H H 1 8.822 0.04 . 1 . . . . . 49 LYS H . 16485 1 569 . 1 1 49 49 LYS HA H 1 4.131 0.04 . 1 . . . . . 49 LYS HA . 16485 1 570 . 1 1 49 49 LYS HB2 H 1 1.659 0.04 . 1 . . . . . 49 LYS HB2 . 16485 1 571 . 1 1 49 49 LYS HB3 H 1 1.350 0.04 . 1 . . . . . 49 LYS HB3 . 16485 1 572 . 1 1 49 49 LYS HD2 H 1 1.419 0.04 . 2 . . . . . 49 LYS HD . 16485 1 573 . 1 1 49 49 LYS HD3 H 1 1.419 0.04 . 2 . . . . . 49 LYS HD . 16485 1 574 . 1 1 49 49 LYS HE2 H 1 2.763 0.04 . 2 . . . . . 49 LYS HE . 16485 1 575 . 1 1 49 49 LYS HE3 H 1 2.763 0.04 . 2 . . . . . 49 LYS HE . 16485 1 576 . 1 1 49 49 LYS HG2 H 1 0.079 0.04 . 1 . . . . . 49 LYS HG2 . 16485 1 577 . 1 1 49 49 LYS HG3 H 1 0.872 0.04 . 1 . . . . . 49 LYS HG3 . 16485 1 578 . 1 1 49 49 LYS C C 13 174.879 0.4 . 1 . . . . . 49 LYS C . 16485 1 579 . 1 1 49 49 LYS CA C 13 58.033 0.4 . 1 . . . . . 49 LYS CA . 16485 1 580 . 1 1 49 49 LYS CB C 13 31.501 0.4 . 1 . . . . . 49 LYS CB . 16485 1 581 . 1 1 49 49 LYS CD C 13 29.462 0.4 . 1 . . . . . 49 LYS CD . 16485 1 582 . 1 1 49 49 LYS CE C 13 41.982 0.4 . 1 . . . . . 49 LYS CE . 16485 1 583 . 1 1 49 49 LYS CG C 13 22.814 0.4 . 1 . . . . . 49 LYS CG . 16485 1 584 . 1 1 49 49 LYS N N 15 117.950 0.1 . 1 . . . . . 49 LYS N . 16485 1 585 . 1 1 50 50 TYR H H 1 8.095 0.04 . 1 . . . . . 50 TYR H . 16485 1 586 . 1 1 50 50 TYR HA H 1 4.498 0.04 . 1 . . . . . 50 TYR HA . 16485 1 587 . 1 1 50 50 TYR HB2 H 1 3.226 0.04 . 1 . . . . . 50 TYR HB2 . 16485 1 588 . 1 1 50 50 TYR HB3 H 1 2.876 0.04 . 1 . . . . . 50 TYR HB3 . 16485 1 589 . 1 1 50 50 TYR HD1 H 1 7.219 0.04 . 3 . . . . . 50 TYR HD . 16485 1 590 . 1 1 50 50 TYR HD2 H 1 7.219 0.04 . 3 . . . . . 50 TYR HD . 16485 1 591 . 1 1 50 50 TYR HE1 H 1 6.940 0.04 . 3 . . . . . 50 TYR HE . 16485 1 592 . 1 1 50 50 TYR HE2 H 1 6.940 0.04 . 3 . . . . . 50 TYR HE . 16485 1 593 . 1 1 50 50 TYR C C 13 176.710 0.4 . 1 . . . . . 50 TYR C . 16485 1 594 . 1 1 50 50 TYR CA C 13 57.841 0.4 . 1 . . . . . 50 TYR CA . 16485 1 595 . 1 1 50 50 TYR CB C 13 38.135 0.4 . 1 . . . . . 50 TYR CB . 16485 1 596 . 1 1 50 50 TYR CD1 C 13 133.649 0.4 . 3 . . . . . 50 TYR CD1 . 16485 1 597 . 1 1 50 50 TYR CE1 C 13 120.334 0.4 . 3 . . . . . 50 TYR CE1 . 16485 1 598 . 1 1 50 50 TYR N N 15 116.512 0.1 . 1 . . . . . 50 TYR N . 16485 1 599 . 1 1 51 51 SER H H 1 7.619 0.04 . 1 . . . . . 51 SER H . 16485 1 600 . 1 1 51 51 SER HA H 1 4.691 0.04 . 1 . . . . . 51 SER HA . 16485 1 601 . 1 1 51 51 SER HB2 H 1 3.873 0.04 . 2 . . . . . 51 SER HB . 16485 1 602 . 1 1 51 51 SER HB3 H 1 3.873 0.04 . 2 . . . . . 51 SER HB . 16485 1 603 . 1 1 51 51 SER C C 13 172.878 0.4 . 1 . . . . . 51 SER C . 16485 1 604 . 1 1 51 51 SER CA C 13 59.655 0.4 . 1 . . . . . 51 SER CA . 16485 1 605 . 1 1 51 51 SER CB C 13 64.614 0.4 . 1 . . . . . 51 SER CB . 16485 1 606 . 1 1 51 51 SER N N 15 117.621 0.1 . 1 . . . . . 51 SER N . 16485 1 607 . 1 1 52 52 SER H H 1 9.979 0.04 . 1 . . . . . 52 SER H . 16485 1 608 . 1 1 52 52 SER HA H 1 5.794 0.04 . 1 . . . . . 52 SER HA . 16485 1 609 . 1 1 52 52 SER HB2 H 1 3.906 0.04 . 1 . . . . . 52 SER HB2 . 16485 1 610 . 1 1 52 52 SER HB3 H 1 3.801 0.04 . 1 . . . . . 52 SER HB3 . 16485 1 611 . 1 1 52 52 SER C C 13 172.994 0.4 . 1 . . . . . 52 SER C . 16485 1 612 . 1 1 52 52 SER CA C 13 58.840 0.4 . 1 . . . . . 52 SER CA . 16485 1 613 . 1 1 52 52 SER CB C 13 67.772 0.4 . 1 . . . . . 52 SER CB . 16485 1 614 . 1 1 52 52 SER N N 15 118.631 0.1 . 1 . . . . . 52 SER N . 16485 1 615 . 1 1 53 53 ILE H H 1 9.579 0.04 . 1 . . . . . 53 ILE H . 16485 1 616 . 1 1 53 53 ILE HA H 1 5.309 0.04 . 1 . . . . . 53 ILE HA . 16485 1 617 . 1 1 53 53 ILE HB H 1 1.880 0.04 . 1 . . . . . 53 ILE HB . 16485 1 618 . 1 1 53 53 ILE HD11 H 1 0.699 0.04 . 1 . . . . . 53 ILE HD1 . 16485 1 619 . 1 1 53 53 ILE HD12 H 1 0.699 0.04 . 1 . . . . . 53 ILE HD1 . 16485 1 620 . 1 1 53 53 ILE HD13 H 1 0.699 0.04 . 1 . . . . . 53 ILE HD1 . 16485 1 621 . 1 1 53 53 ILE HG12 H 1 1.353 0.04 . 1 . . . . . 53 ILE HG12 . 16485 1 622 . 1 1 53 53 ILE HG13 H 1 1.209 0.04 . 1 . . . . . 53 ILE HG13 . 16485 1 623 . 1 1 53 53 ILE HG21 H 1 0.848 0.04 . 1 . . . . . 53 ILE HG2 . 16485 1 624 . 1 1 53 53 ILE HG22 H 1 0.848 0.04 . 1 . . . . . 53 ILE HG2 . 16485 1 625 . 1 1 53 53 ILE HG23 H 1 0.848 0.04 . 1 . . . . . 53 ILE HG2 . 16485 1 626 . 1 1 53 53 ILE C C 13 176.275 0.4 . 1 . . . . . 53 ILE C . 16485 1 627 . 1 1 53 53 ILE CA C 13 58.849 0.4 . 1 . . . . . 53 ILE CA . 16485 1 628 . 1 1 53 53 ILE CB C 13 39.904 0.4 . 1 . . . . . 53 ILE CB . 16485 1 629 . 1 1 53 53 ILE CD1 C 13 12.670 0.4 . 1 . . . . . 53 ILE CD1 . 16485 1 630 . 1 1 53 53 ILE CG1 C 13 27.918 0.4 . 1 . . . . . 53 ILE CG1 . 16485 1 631 . 1 1 53 53 ILE CG2 C 13 18.997 0.4 . 1 . . . . . 53 ILE CG2 . 16485 1 632 . 1 1 53 53 ILE N N 15 121.255 0.1 . 1 . . . . . 53 ILE N . 16485 1 633 . 1 1 54 54 CYS H H 1 10.368 0.04 . 1 . . . . . 54 CYS H . 16485 1 634 . 1 1 54 54 CYS HA H 1 5.410 0.04 . 1 . . . . . 54 CYS HA . 16485 1 635 . 1 1 54 54 CYS HB2 H 1 2.418 0.04 . 1 . . . . . 54 CYS HB2 . 16485 1 636 . 1 1 54 54 CYS HB3 H 1 2.595 0.04 . 1 . . . . . 54 CYS HB3 . 16485 1 637 . 1 1 54 54 CYS C C 13 176.837 0.4 . 1 . . . . . 54 CYS C . 16485 1 638 . 1 1 54 54 CYS CA C 13 59.266 0.4 . 1 . . . . . 54 CYS CA . 16485 1 639 . 1 1 54 54 CYS CB C 13 30.453 0.4 . 1 . . . . . 54 CYS CB . 16485 1 640 . 1 1 54 54 CYS N N 15 132.316 0.1 . 1 . . . . . 54 CYS N . 16485 1 641 . 1 1 55 55 SER H H 1 8.878 0.04 . 1 . . . . . 55 SER H . 16485 1 642 . 1 1 55 55 SER HA H 1 4.426 0.04 . 1 . . . . . 55 SER HA . 16485 1 643 . 1 1 55 55 SER HB2 H 1 4.590 0.04 . 1 . . . . . 55 SER HB2 . 16485 1 644 . 1 1 55 55 SER HB3 H 1 4.104 0.04 . 1 . . . . . 55 SER HB3 . 16485 1 645 . 1 1 55 55 SER C C 13 176.525 0.4 . 1 . . . . . 55 SER C . 16485 1 646 . 1 1 55 55 SER CA C 13 61.801 0.4 . 1 . . . . . 55 SER CA . 16485 1 647 . 1 1 55 55 SER CB C 13 63.637 0.4 . 1 . . . . . 55 SER CB . 16485 1 648 . 1 1 55 55 SER N N 15 110.672 0.1 . 1 . . . . . 55 SER N . 16485 1 649 . 1 1 56 56 GLU H H 1 8.261 0.04 . 1 . . . . . 56 GLU H . 16485 1 650 . 1 1 56 56 GLU HA H 1 4.077 0.04 . 1 . . . . . 56 GLU HA . 16485 1 651 . 1 1 56 56 GLU HB2 H 1 1.695 0.04 . 1 . . . . . 56 GLU HB2 . 16485 1 652 . 1 1 56 56 GLU HB3 H 1 1.418 0.04 . 1 . . . . . 56 GLU HB3 . 16485 1 653 . 1 1 56 56 GLU HG2 H 1 2.059 0.04 . 1 . . . . . 56 GLU HG2 . 16485 1 654 . 1 1 56 56 GLU HG3 H 1 2.218 0.04 . 1 . . . . . 56 GLU HG3 . 16485 1 655 . 1 1 56 56 GLU C C 13 176.733 0.4 . 1 . . . . . 56 GLU C . 16485 1 656 . 1 1 56 56 GLU CA C 13 58.776 0.4 . 1 . . . . . 56 GLU CA . 16485 1 657 . 1 1 56 56 GLU CB C 13 29.197 0.4 . 1 . . . . . 56 GLU CB . 16485 1 658 . 1 1 56 56 GLU CG C 13 37.872 0.4 . 1 . . . . . 56 GLU CG . 16485 1 659 . 1 1 56 56 GLU N N 15 120.196 0.1 . 1 . . . . . 56 GLU N . 16485 1 660 . 1 1 57 57 HIS H H 1 6.961 0.04 . 1 . . . . . 57 HIS H . 16485 1 661 . 1 1 57 57 HIS HA H 1 4.962 0.04 . 1 . . . . . 57 HIS HA . 16485 1 662 . 1 1 57 57 HIS HB2 H 1 1.917 0.04 . 2 . . . . . 57 HIS HB . 16485 1 663 . 1 1 57 57 HIS HB3 H 1 1.917 0.04 . 2 . . . . . 57 HIS HB . 16485 1 664 . 1 1 57 57 HIS HD2 H 1 6.981 0.04 . 1 . . . . . 57 HIS HD2 . 16485 1 665 . 1 1 57 57 HIS HE1 H 1 7.895 0.04 . 1 . . . . . 57 HIS HE1 . 16485 1 666 . 1 1 57 57 HIS C C 13 173.510 0.4 . 1 . . . . . 57 HIS C . 16485 1 667 . 1 1 57 57 HIS CA C 13 54.749 0.4 . 1 . . . . . 57 HIS CA . 16485 1 668 . 1 1 57 57 HIS CB C 13 28.905 0.4 . 1 . . . . . 57 HIS CB . 16485 1 669 . 1 1 57 57 HIS CE1 C 13 138.711 0.4 . 1 . . . . . 57 HIS CE1 . 16485 1 670 . 1 1 57 57 HIS N N 15 113.232 0.1 . 1 . . . . . 57 HIS N . 16485 1 671 . 1 1 58 58 PHE H H 1 7.559 0.04 . 1 . . . . . 58 PHE H . 16485 1 672 . 1 1 58 58 PHE HA H 1 4.976 0.04 . 1 . . . . . 58 PHE HA . 16485 1 673 . 1 1 58 58 PHE HB2 H 1 2.743 0.04 . 1 . . . . . 58 PHE HB2 . 16485 1 674 . 1 1 58 58 PHE HB3 H 1 2.677 0.04 . 1 . . . . . 58 PHE HB3 . 16485 1 675 . 1 1 58 58 PHE HD1 H 1 6.847 0.04 . 3 . . . . . 58 PHE HD . 16485 1 676 . 1 1 58 58 PHE HD2 H 1 6.847 0.04 . 3 . . . . . 58 PHE HD . 16485 1 677 . 1 1 58 58 PHE C C 13 175.733 0.4 . 1 . . . . . 58 PHE C . 16485 1 678 . 1 1 58 58 PHE CA C 13 56.278 0.4 . 1 . . . . . 58 PHE CA . 16485 1 679 . 1 1 58 58 PHE CB C 13 41.520 0.4 . 1 . . . . . 58 PHE CB . 16485 1 680 . 1 1 58 58 PHE N N 15 118.377 0.1 . 1 . . . . . 58 PHE N . 16485 1 681 . 1 1 59 59 THR H H 1 8.418 0.04 . 1 . . . . . 59 THR H . 16485 1 682 . 1 1 59 59 THR HA H 1 4.348 0.04 . 1 . . . . . 59 THR HA . 16485 1 683 . 1 1 59 59 THR HB H 1 4.559 0.04 . 1 . . . . . 59 THR HB . 16485 1 684 . 1 1 59 59 THR HG21 H 1 1.275 0.04 . 1 . . . . . 59 THR HG2 . 16485 1 685 . 1 1 59 59 THR HG22 H 1 1.275 0.04 . 1 . . . . . 59 THR HG2 . 16485 1 686 . 1 1 59 59 THR HG23 H 1 1.275 0.04 . 1 . . . . . 59 THR HG2 . 16485 1 687 . 1 1 59 59 THR CA C 13 60.346 0.4 . 1 . . . . . 59 THR CA . 16485 1 688 . 1 1 59 59 THR CB C 13 67.807 0.4 . 1 . . . . . 59 THR CB . 16485 1 689 . 1 1 59 59 THR CG2 C 13 23.325 0.4 . 1 . . . . . 59 THR CG2 . 16485 1 690 . 1 1 59 59 THR N N 15 113.051 0.1 . 1 . . . . . 59 THR N . 16485 1 691 . 1 1 60 60 PRO HA H 1 4.533 0.04 . 1 . . . . . 60 PRO HA . 16485 1 692 . 1 1 60 60 PRO HB2 H 1 2.462 0.04 . 1 . . . . . 60 PRO HB2 . 16485 1 693 . 1 1 60 60 PRO HB3 H 1 2.049 0.04 . 1 . . . . . 60 PRO HB3 . 16485 1 694 . 1 1 60 60 PRO HD2 H 1 3.883 0.04 . 1 . . . . . 60 PRO HD2 . 16485 1 695 . 1 1 60 60 PRO HD3 H 1 3.840 0.04 . 1 . . . . . 60 PRO HD3 . 16485 1 696 . 1 1 60 60 PRO HG2 H 1 2.180 0.04 . 1 . . . . . 60 PRO HG2 . 16485 1 697 . 1 1 60 60 PRO HG3 H 1 2.114 0.04 . 1 . . . . . 60 PRO HG3 . 16485 1 698 . 1 1 60 60 PRO C C 13 178.396 0.4 . 1 . . . . . 60 PRO C . 16485 1 699 . 1 1 60 60 PRO CA C 13 66.245 0.4 . 1 . . . . . 60 PRO CA . 16485 1 700 . 1 1 60 60 PRO CB C 13 31.993 0.4 . 1 . . . . . 60 PRO CB . 16485 1 701 . 1 1 60 60 PRO CD C 13 50.668 0.4 . 1 . . . . . 60 PRO CD . 16485 1 702 . 1 1 60 60 PRO CG C 13 28.114 0.4 . 1 . . . . . 60 PRO CG . 16485 1 703 . 1 1 61 61 ASP H H 1 8.182 0.04 . 1 . . . . . 61 ASP H . 16485 1 704 . 1 1 61 61 ASP HA H 1 4.670 0.04 . 1 . . . . . 61 ASP HA . 16485 1 705 . 1 1 61 61 ASP HB2 H 1 2.797 0.04 . 1 . . . . . 61 ASP HB2 . 16485 1 706 . 1 1 61 61 ASP HB3 H 1 2.674 0.04 . 1 . . . . . 61 ASP HB3 . 16485 1 707 . 1 1 61 61 ASP CA C 13 54.886 0.4 . 1 . . . . . 61 ASP CA . 16485 1 708 . 1 1 61 61 ASP CB C 13 39.934 0.4 . 1 . . . . . 61 ASP CB . 16485 1 709 . 1 1 61 61 ASP N N 15 113.916 0.1 . 1 . . . . . 61 ASP N . 16485 1 710 . 1 1 62 62 SER H H 1 8.208 0.04 . 1 . . . . . 62 SER H . 16485 1 711 . 1 1 62 62 SER HA H 1 4.228 0.04 . 1 . . . . . 62 SER HA . 16485 1 712 . 1 1 62 62 SER HB2 H 1 3.498 0.04 . 1 . . . . . 62 SER HB2 . 16485 1 713 . 1 1 62 62 SER HB3 H 1 3.373 0.04 . 1 . . . . . 62 SER HB3 . 16485 1 714 . 1 1 62 62 SER C C 13 171.496 0.4 . 1 . . . . . 62 SER C . 16485 1 715 . 1 1 62 62 SER CA C 13 60.642 0.4 . 1 . . . . . 62 SER CA . 16485 1 716 . 1 1 62 62 SER CB C 13 63.698 0.4 . 1 . . . . . 62 SER CB . 16485 1 717 . 1 1 62 62 SER N N 15 114.308 0.1 . 1 . . . . . 62 SER N . 16485 1 718 . 1 1 63 63 PHE H H 1 6.982 0.04 . 1 . . . . . 63 PHE H . 16485 1 719 . 1 1 63 63 PHE HA H 1 4.724 0.04 . 1 . . . . . 63 PHE HA . 16485 1 720 . 1 1 63 63 PHE HB2 H 1 3.158 0.04 . 1 . . . . . 63 PHE HB2 . 16485 1 721 . 1 1 63 63 PHE HB3 H 1 2.677 0.04 . 1 . . . . . 63 PHE HB3 . 16485 1 722 . 1 1 63 63 PHE HD1 H 1 6.991 0.04 . 3 . . . . . 63 PHE HD . 16485 1 723 . 1 1 63 63 PHE HD2 H 1 6.991 0.04 . 3 . . . . . 63 PHE HD . 16485 1 724 . 1 1 63 63 PHE HE1 H 1 7.027 0.04 . 3 . . . . . 63 PHE HE . 16485 1 725 . 1 1 63 63 PHE HE2 H 1 7.027 0.04 . 3 . . . . . 63 PHE HE . 16485 1 726 . 1 1 63 63 PHE C C 13 176.258 0.4 . 1 . . . . . 63 PHE C . 16485 1 727 . 1 1 63 63 PHE CA C 13 57.796 0.4 . 1 . . . . . 63 PHE CA . 16485 1 728 . 1 1 63 63 PHE CB C 13 40.940 0.4 . 1 . . . . . 63 PHE CB . 16485 1 729 . 1 1 63 63 PHE N N 15 115.815 0.1 . 1 . . . . . 63 PHE N . 16485 1 730 . 1 1 64 64 LYS H H 1 8.851 0.04 . 1 . . . . . 64 LYS H . 16485 1 731 . 1 1 64 64 LYS HA H 1 4.144 0.04 . 1 . . . . . 64 LYS HA . 16485 1 732 . 1 1 64 64 LYS HB2 H 1 1.888 0.04 . 1 . . . . . 64 LYS HB2 . 16485 1 733 . 1 1 64 64 LYS HB3 H 1 1.675 0.04 . 1 . . . . . 64 LYS HB3 . 16485 1 734 . 1 1 64 64 LYS HE2 H 1 2.960 0.04 . 2 . . . . . 64 LYS HE . 16485 1 735 . 1 1 64 64 LYS HE3 H 1 2.960 0.04 . 2 . . . . . 64 LYS HE . 16485 1 736 . 1 1 64 64 LYS HG2 H 1 1.264 0.04 . 2 . . . . . 64 LYS HG . 16485 1 737 . 1 1 64 64 LYS HG3 H 1 1.264 0.04 . 2 . . . . . 64 LYS HG . 16485 1 738 . 1 1 64 64 LYS C C 13 177.416 0.4 . 1 . . . . . 64 LYS C . 16485 1 739 . 1 1 64 64 LYS CA C 13 57.669 0.4 . 1 . . . . . 64 LYS CA . 16485 1 740 . 1 1 64 64 LYS CB C 13 33.290 0.4 . 1 . . . . . 64 LYS CB . 16485 1 741 . 1 1 64 64 LYS CD C 13 27.457 0.4 . 1 . . . . . 64 LYS CD . 16485 1 742 . 1 1 64 64 LYS CE C 13 42.265 0.4 . 1 . . . . . 64 LYS CE . 16485 1 743 . 1 1 64 64 LYS CG C 13 26.291 0.4 . 1 . . . . . 64 LYS CG . 16485 1 744 . 1 1 64 64 LYS N N 15 122.163 0.1 . 1 . . . . . 64 LYS N . 16485 1 745 . 1 1 65 65 ARG H H 1 8.576 0.04 . 1 . . . . . 65 ARG H . 16485 1 746 . 1 1 65 65 ARG HA H 1 4.321 0.04 . 1 . . . . . 65 ARG HA . 16485 1 747 . 1 1 65 65 ARG HB2 H 1 1.932 0.04 . 1 . . . . . 65 ARG HB2 . 16485 1 748 . 1 1 65 65 ARG HB3 H 1 1.837 0.04 . 1 . . . . . 65 ARG HB3 . 16485 1 749 . 1 1 65 65 ARG HD2 H 1 3.238 0.04 . 2 . . . . . 65 ARG HD . 16485 1 750 . 1 1 65 65 ARG HD3 H 1 3.238 0.04 . 2 . . . . . 65 ARG HD . 16485 1 751 . 1 1 65 65 ARG HE H 1 7.211 0.04 . 1 . . . . . 65 ARG HE . 16485 1 752 . 1 1 65 65 ARG HG2 H 1 1.733 0.04 . 1 . . . . . 65 ARG HG2 . 16485 1 753 . 1 1 65 65 ARG HG3 H 1 1.676 0.04 . 1 . . . . . 65 ARG HG3 . 16485 1 754 . 1 1 65 65 ARG HH11 H 1 6.998 0.04 . 2 . . . . . 65 ARG HH1 . 16485 1 755 . 1 1 65 65 ARG HH12 H 1 6.998 0.04 . 2 . . . . . 65 ARG HH1 . 16485 1 756 . 1 1 65 65 ARG C C 13 176.745 0.4 . 1 . . . . . 65 ARG C . 16485 1 757 . 1 1 65 65 ARG CA C 13 57.311 0.4 . 1 . . . . . 65 ARG CA . 16485 1 758 . 1 1 65 65 ARG CB C 13 30.962 0.4 . 1 . . . . . 65 ARG CB . 16485 1 759 . 1 1 65 65 ARG CD C 13 43.516 0.4 . 1 . . . . . 65 ARG CD . 16485 1 760 . 1 1 65 65 ARG CG C 13 27.655 0.4 . 1 . . . . . 65 ARG CG . 16485 1 761 . 1 1 65 65 ARG N N 15 122.995 0.1 . 1 . . . . . 65 ARG N . 16485 1 762 . 1 1 65 65 ARG NH1 N 15 100.904 0.1 . 2 . . . . . 65 ARG NH1 . 16485 1 763 . 1 1 66 66 GLU H H 1 8.756 0.04 . 1 . . . . . 66 GLU H . 16485 1 764 . 1 1 66 66 GLU HA H 1 4.242 0.04 . 1 . . . . . 66 GLU HA . 16485 1 765 . 1 1 66 66 GLU HB2 H 1 2.169 0.04 . 1 . . . . . 66 GLU HB2 . 16485 1 766 . 1 1 66 66 GLU HB3 H 1 2.019 0.04 . 1 . . . . . 66 GLU HB3 . 16485 1 767 . 1 1 66 66 GLU HG2 H 1 2.250 0.04 . 2 . . . . . 66 GLU HG . 16485 1 768 . 1 1 66 66 GLU HG3 H 1 2.250 0.04 . 2 . . . . . 66 GLU HG . 16485 1 769 . 1 1 66 66 GLU C C 13 175.746 0.4 . 1 . . . . . 66 GLU C . 16485 1 770 . 1 1 66 66 GLU CA C 13 57.357 0.4 . 1 . . . . . 66 GLU CA . 16485 1 771 . 1 1 66 66 GLU CB C 13 29.027 0.4 . 1 . . . . . 66 GLU CB . 16485 1 772 . 1 1 66 66 GLU CG C 13 36.591 0.4 . 1 . . . . . 66 GLU CG . 16485 1 773 . 1 1 66 66 GLU N N 15 117.737 0.1 . 1 . . . . . 66 GLU N . 16485 1 774 . 1 1 67 67 SER H H 1 7.677 0.04 . 1 . . . . . 67 SER H . 16485 1 775 . 1 1 67 67 SER HA H 1 4.571 0.04 . 1 . . . . . 67 SER HA . 16485 1 776 . 1 1 67 67 SER HB2 H 1 3.977 0.04 . 1 . . . . . 67 SER HB2 . 16485 1 777 . 1 1 67 67 SER HB3 H 1 3.875 0.04 . 1 . . . . . 67 SER HB3 . 16485 1 778 . 1 1 67 67 SER C C 13 174.151 0.4 . 1 . . . . . 67 SER C . 16485 1 779 . 1 1 67 67 SER CA C 13 58.067 0.4 . 1 . . . . . 67 SER CA . 16485 1 780 . 1 1 67 67 SER CB C 13 64.971 0.4 . 1 . . . . . 67 SER CB . 16485 1 781 . 1 1 67 67 SER N N 15 114.129 0.1 . 1 . . . . . 67 SER N . 16485 1 782 . 1 1 68 68 ASN H H 1 9.096 0.04 . 1 . . . . . 68 ASN H . 16485 1 783 . 1 1 68 68 ASN HA H 1 4.605 0.04 . 1 . . . . . 68 ASN HA . 16485 1 784 . 1 1 68 68 ASN HB2 H 1 2.818 0.04 . 1 . . . . . 68 ASN HB2 . 16485 1 785 . 1 1 68 68 ASN HB3 H 1 2.772 0.04 . 1 . . . . . 68 ASN HB3 . 16485 1 786 . 1 1 68 68 ASN HD21 H 1 7.815 0.04 . 1 . . . . . 68 ASN HD21 . 16485 1 787 . 1 1 68 68 ASN HD22 H 1 6.996 0.04 . 1 . . . . . 68 ASN HD22 . 16485 1 788 . 1 1 68 68 ASN C C 13 176.012 0.4 . 1 . . . . . 68 ASN C . 16485 1 789 . 1 1 68 68 ASN CA C 13 55.596 0.4 . 1 . . . . . 68 ASN CA . 16485 1 790 . 1 1 68 68 ASN CB C 13 39.407 0.4 . 1 . . . . . 68 ASN CB . 16485 1 791 . 1 1 68 68 ASN N N 15 122.485 0.1 . 1 . . . . . 68 ASN N . 16485 1 792 . 1 1 68 68 ASN ND2 N 15 114.112 0.1 . 1 . . . . . 68 ASN ND2 . 16485 1 793 . 1 1 69 69 ASN H H 1 8.476 0.04 . 1 . . . . . 69 ASN H . 16485 1 794 . 1 1 69 69 ASN HA H 1 4.503 0.04 . 1 . . . . . 69 ASN HA . 16485 1 795 . 1 1 69 69 ASN HB2 H 1 3.023 0.04 . 1 . . . . . 69 ASN HB2 . 16485 1 796 . 1 1 69 69 ASN HB3 H 1 2.895 0.04 . 1 . . . . . 69 ASN HB3 . 16485 1 797 . 1 1 69 69 ASN HD21 H 1 7.676 0.04 . 1 . . . . . 69 ASN HD21 . 16485 1 798 . 1 1 69 69 ASN HD22 H 1 6.972 0.04 . 1 . . . . . 69 ASN HD22 . 16485 1 799 . 1 1 69 69 ASN CA C 13 58.783 0.4 . 1 . . . . . 69 ASN CA . 16485 1 800 . 1 1 69 69 ASN N N 15 119.744 0.1 . 1 . . . . . 69 ASN N . 16485 1 801 . 1 1 69 69 ASN ND2 N 15 113.619 0.1 . 1 . . . . . 69 ASN ND2 . 16485 1 802 . 1 1 70 70 LYS H H 1 7.619 0.04 . 1 . . . . . 70 LYS H . 16485 1 803 . 1 1 70 70 LYS HA H 1 4.245 0.04 . 1 . . . . . 70 LYS HA . 16485 1 804 . 1 1 70 70 LYS HB2 H 1 1.508 0.04 . 1 . . . . . 70 LYS HB2 . 16485 1 805 . 1 1 70 70 LYS HB3 H 1 1.407 0.04 . 1 . . . . . 70 LYS HB3 . 16485 1 806 . 1 1 70 70 LYS CA C 13 55.778 0.4 . 1 . . . . . 70 LYS CA . 16485 1 807 . 1 1 70 70 LYS CB C 13 28.218 0.4 . 1 . . . . . 70 LYS CB . 16485 1 808 . 1 1 70 70 LYS N N 15 129.276 0.1 . 1 . . . . . 70 LYS N . 16485 1 809 . 1 1 71 71 LEU H H 1 9.164 0.04 . 1 . . . . . 71 LEU H . 16485 1 810 . 1 1 71 71 LEU HA H 1 4.863 0.04 . 1 . . . . . 71 LEU HA . 16485 1 811 . 1 1 71 71 LEU HB2 H 1 1.588 0.04 . 1 . . . . . 71 LEU HB2 . 16485 1 812 . 1 1 71 71 LEU HB3 H 1 1.526 0.04 . 1 . . . . . 71 LEU HB3 . 16485 1 813 . 1 1 71 71 LEU HD11 H 1 0.988 0.04 . 2 . . . . . 71 LEU HD1 . 16485 1 814 . 1 1 71 71 LEU HD12 H 1 0.988 0.04 . 2 . . . . . 71 LEU HD1 . 16485 1 815 . 1 1 71 71 LEU HD13 H 1 0.988 0.04 . 2 . . . . . 71 LEU HD1 . 16485 1 816 . 1 1 71 71 LEU HD21 H 1 0.975 0.04 . 2 . . . . . 71 LEU HD2 . 16485 1 817 . 1 1 71 71 LEU HD22 H 1 0.975 0.04 . 2 . . . . . 71 LEU HD2 . 16485 1 818 . 1 1 71 71 LEU HD23 H 1 0.975 0.04 . 2 . . . . . 71 LEU HD2 . 16485 1 819 . 1 1 71 71 LEU HG H 1 1.407 0.04 . 1 . . . . . 71 LEU HG . 16485 1 820 . 1 1 71 71 LEU C C 13 177.093 0.4 . 1 . . . . . 71 LEU C . 16485 1 821 . 1 1 71 71 LEU CA C 13 53.064 0.4 . 1 . . . . . 71 LEU CA . 16485 1 822 . 1 1 71 71 LEU CB C 13 45.306 0.4 . 1 . . . . . 71 LEU CB . 16485 1 823 . 1 1 71 71 LEU CD1 C 13 26.118 0.4 . 1 . . . . . 71 LEU CD1 . 16485 1 824 . 1 1 71 71 LEU CD2 C 13 24.097 0.4 . 1 . . . . . 71 LEU CD2 . 16485 1 825 . 1 1 71 71 LEU CG C 13 25.279 0.4 . 1 . . . . . 71 LEU CG . 16485 1 826 . 1 1 71 71 LEU N N 15 121.151 0.1 . 1 . . . . . 71 LEU N . 16485 1 827 . 1 1 72 72 LEU H H 1 9.493 0.04 . 1 . . . . . 72 LEU H . 16485 1 828 . 1 1 72 72 LEU HA H 1 4.085 0.04 . 1 . . . . . 72 LEU HA . 16485 1 829 . 1 1 72 72 LEU HB2 H 1 1.610 0.04 . 1 . . . . . 72 LEU HB2 . 16485 1 830 . 1 1 72 72 LEU HB3 H 1 1.078 0.04 . 1 . . . . . 72 LEU HB3 . 16485 1 831 . 1 1 72 72 LEU HD11 H 1 0.308 0.04 . 2 . . . . . 72 LEU HD1 . 16485 1 832 . 1 1 72 72 LEU HD12 H 1 0.308 0.04 . 2 . . . . . 72 LEU HD1 . 16485 1 833 . 1 1 72 72 LEU HD13 H 1 0.308 0.04 . 2 . . . . . 72 LEU HD1 . 16485 1 834 . 1 1 72 72 LEU HD21 H 1 -1.279 0.04 . 2 . . . . . 72 LEU HD2 . 16485 1 835 . 1 1 72 72 LEU HD22 H 1 -1.279 0.04 . 2 . . . . . 72 LEU HD2 . 16485 1 836 . 1 1 72 72 LEU HD23 H 1 -1.279 0.04 . 2 . . . . . 72 LEU HD2 . 16485 1 837 . 1 1 72 72 LEU HG H 1 0.611 0.04 . 1 . . . . . 72 LEU HG . 16485 1 838 . 1 1 72 72 LEU C C 13 178.631 0.4 . 1 . . . . . 72 LEU C . 16485 1 839 . 1 1 72 72 LEU CA C 13 53.764 0.4 . 1 . . . . . 72 LEU CA . 16485 1 840 . 1 1 72 72 LEU CB C 13 43.023 0.4 . 1 . . . . . 72 LEU CB . 16485 1 841 . 1 1 72 72 LEU CD1 C 13 27.330 0.4 . 1 . . . . . 72 LEU CD1 . 16485 1 842 . 1 1 72 72 LEU CD2 C 13 22.291 0.4 . 1 . . . . . 72 LEU CD2 . 16485 1 843 . 1 1 72 72 LEU CG C 13 26.646 0.4 . 1 . . . . . 72 LEU CG . 16485 1 844 . 1 1 72 72 LEU N N 15 123.934 0.1 . 1 . . . . . 72 LEU N . 16485 1 845 . 1 1 73 73 LYS H H 1 8.355 0.04 . 1 . . . . . 73 LYS H . 16485 1 846 . 1 1 73 73 LYS HA H 1 3.956 0.04 . 1 . . . . . 73 LYS HA . 16485 1 847 . 1 1 73 73 LYS HB2 H 1 1.900 0.04 . 1 . . . . . 73 LYS HB2 . 16485 1 848 . 1 1 73 73 LYS HB3 H 1 1.521 0.04 . 1 . . . . . 73 LYS HB3 . 16485 1 849 . 1 1 73 73 LYS HD2 H 1 1.294 0.04 . 1 . . . . . 73 LYS HD2 . 16485 1 850 . 1 1 73 73 LYS HD3 H 1 1.101 0.04 . 1 . . . . . 73 LYS HD3 . 16485 1 851 . 1 1 73 73 LYS HE2 H 1 2.953 0.04 . 2 . . . . . 73 LYS HE . 16485 1 852 . 1 1 73 73 LYS HE3 H 1 2.953 0.04 . 2 . . . . . 73 LYS HE . 16485 1 853 . 1 1 73 73 LYS HG2 H 1 1.637 0.04 . 2 . . . . . 73 LYS HG . 16485 1 854 . 1 1 73 73 LYS HG3 H 1 1.637 0.04 . 2 . . . . . 73 LYS HG . 16485 1 855 . 1 1 73 73 LYS C C 13 177.671 0.4 . 1 . . . . . 73 LYS C . 16485 1 856 . 1 1 73 73 LYS CA C 13 57.450 0.4 . 1 . . . . . 73 LYS CA . 16485 1 857 . 1 1 73 73 LYS CB C 13 34.183 0.4 . 1 . . . . . 73 LYS CB . 16485 1 858 . 1 1 73 73 LYS CD C 13 26.912 0.4 . 1 . . . . . 73 LYS CD . 16485 1 859 . 1 1 73 73 LYS CE C 13 42.492 0.4 . 1 . . . . . 73 LYS CE . 16485 1 860 . 1 1 73 73 LYS CG C 13 30.213 0.4 . 1 . . . . . 73 LYS CG . 16485 1 861 . 1 1 73 73 LYS N N 15 119.785 0.1 . 1 . . . . . 73 LYS N . 16485 1 862 . 1 1 74 74 GLU H H 1 8.841 0.04 . 1 . . . . . 74 GLU H . 16485 1 863 . 1 1 74 74 GLU HA H 1 4.041 0.04 . 1 . . . . . 74 GLU HA . 16485 1 864 . 1 1 74 74 GLU HB2 H 1 2.023 0.04 . 1 . . . . . 74 GLU HB2 . 16485 1 865 . 1 1 74 74 GLU HB3 H 1 1.945 0.04 . 1 . . . . . 74 GLU HB3 . 16485 1 866 . 1 1 74 74 GLU HG2 H 1 2.295 0.04 . 2 . . . . . 74 GLU HG . 16485 1 867 . 1 1 74 74 GLU HG3 H 1 2.295 0.04 . 2 . . . . . 74 GLU HG . 16485 1 868 . 1 1 74 74 GLU C C 13 176.425 0.4 . 1 . . . . . 74 GLU C . 16485 1 869 . 1 1 74 74 GLU CA C 13 59.101 0.4 . 1 . . . . . 74 GLU CA . 16485 1 870 . 1 1 74 74 GLU CB C 13 29.702 0.4 . 1 . . . . . 74 GLU CB . 16485 1 871 . 1 1 74 74 GLU CG C 13 36.359 0.4 . 1 . . . . . 74 GLU CG . 16485 1 872 . 1 1 74 74 GLU N N 15 120.511 0.1 . 1 . . . . . 74 GLU N . 16485 1 873 . 1 1 75 75 ASN H H 1 8.244 0.04 . 1 . . . . . 75 ASN H . 16485 1 874 . 1 1 75 75 ASN HA H 1 4.804 0.04 . 1 . . . . . 75 ASN HA . 16485 1 875 . 1 1 75 75 ASN HB2 H 1 3.005 0.04 . 1 . . . . . 75 ASN HB2 . 16485 1 876 . 1 1 75 75 ASN HB3 H 1 2.873 0.04 . 1 . . . . . 75 ASN HB3 . 16485 1 877 . 1 1 75 75 ASN HD21 H 1 7.567 0.04 . 1 . . . . . 75 ASN HD21 . 16485 1 878 . 1 1 75 75 ASN HD22 H 1 6.882 0.04 . 1 . . . . . 75 ASN HD22 . 16485 1 879 . 1 1 75 75 ASN C C 13 174.646 0.4 . 1 . . . . . 75 ASN C . 16485 1 880 . 1 1 75 75 ASN CA C 13 52.701 0.4 . 1 . . . . . 75 ASN CA . 16485 1 881 . 1 1 75 75 ASN CB C 13 38.000 0.4 . 1 . . . . . 75 ASN CB . 16485 1 882 . 1 1 75 75 ASN N N 15 114.684 0.1 . 1 . . . . . 75 ASN N . 16485 1 883 . 1 1 75 75 ASN ND2 N 15 112.473 0.1 . 1 . . . . . 75 ASN ND2 . 16485 1 884 . 1 1 76 76 ALA H H 1 7.460 0.04 . 1 . . . . . 76 ALA H . 16485 1 885 . 1 1 76 76 ALA HA H 1 4.332 0.04 . 1 . . . . . 76 ALA HA . 16485 1 886 . 1 1 76 76 ALA HB1 H 1 1.438 0.04 . 1 . . . . . 76 ALA HB . 16485 1 887 . 1 1 76 76 ALA HB2 H 1 1.438 0.04 . 1 . . . . . 76 ALA HB . 16485 1 888 . 1 1 76 76 ALA HB3 H 1 1.438 0.04 . 1 . . . . . 76 ALA HB . 16485 1 889 . 1 1 76 76 ALA C C 13 177.138 0.4 . 1 . . . . . 76 ALA C . 16485 1 890 . 1 1 76 76 ALA CA C 13 53.814 0.4 . 1 . . . . . 76 ALA CA . 16485 1 891 . 1 1 76 76 ALA CB C 13 21.071 0.4 . 1 . . . . . 76 ALA CB . 16485 1 892 . 1 1 76 76 ALA N N 15 122.053 0.1 . 1 . . . . . 76 ALA N . 16485 1 893 . 1 1 77 77 VAL H H 1 8.125 0.04 . 1 . . . . . 77 VAL H . 16485 1 894 . 1 1 77 77 VAL HA H 1 4.295 0.04 . 1 . . . . . 77 VAL HA . 16485 1 895 . 1 1 77 77 VAL HB H 1 1.846 0.04 . 1 . . . . . 77 VAL HB . 16485 1 896 . 1 1 77 77 VAL HG11 H 1 1.041 0.04 . 2 . . . . . 77 VAL HG1 . 16485 1 897 . 1 1 77 77 VAL HG12 H 1 1.041 0.04 . 2 . . . . . 77 VAL HG1 . 16485 1 898 . 1 1 77 77 VAL HG13 H 1 1.041 0.04 . 2 . . . . . 77 VAL HG1 . 16485 1 899 . 1 1 77 77 VAL HG21 H 1 0.939 0.04 . 2 . . . . . 77 VAL HG2 . 16485 1 900 . 1 1 77 77 VAL HG22 H 1 0.939 0.04 . 2 . . . . . 77 VAL HG2 . 16485 1 901 . 1 1 77 77 VAL HG23 H 1 0.939 0.04 . 2 . . . . . 77 VAL HG2 . 16485 1 902 . 1 1 77 77 VAL CA C 13 58.514 0.4 . 1 . . . . . 77 VAL CA . 16485 1 903 . 1 1 77 77 VAL CB C 13 36.910 0.4 . 1 . . . . . 77 VAL CB . 16485 1 904 . 1 1 77 77 VAL CG1 C 13 21.796 0.4 . 1 . . . . . 77 VAL CG1 . 16485 1 905 . 1 1 77 77 VAL CG2 C 13 21.301 0.4 . 1 . . . . . 77 VAL CG2 . 16485 1 906 . 1 1 77 77 VAL N N 15 118.239 0.1 . 1 . . . . . 77 VAL N . 16485 1 907 . 1 1 78 78 PRO HA H 1 3.183 0.04 . 1 . . . . . 78 PRO HA . 16485 1 908 . 1 1 78 78 PRO HB2 H 1 1.125 0.04 . 1 . . . . . 78 PRO HB2 . 16485 1 909 . 1 1 78 78 PRO HB3 H 1 -0.079 0.04 . 1 . . . . . 78 PRO HB3 . 16485 1 910 . 1 1 78 78 PRO HD2 H 1 2.682 0.04 . 1 . . . . . 78 PRO HD2 . 16485 1 911 . 1 1 78 78 PRO HD3 H 1 1.478 0.04 . 1 . . . . . 78 PRO HD3 . 16485 1 912 . 1 1 78 78 PRO HG2 H 1 0.751 0.04 . 1 . . . . . 78 PRO HG . 16485 1 913 . 1 1 78 78 PRO HG3 H 1 0.751 0.04 . 1 . . . . . 78 PRO HG . 16485 1 914 . 1 1 78 78 PRO C C 13 175.367 0.4 . 1 . . . . . 78 PRO C . 16485 1 915 . 1 1 78 78 PRO CA C 13 62.679 0.4 . 1 . . . . . 78 PRO CA . 16485 1 916 . 1 1 78 78 PRO CB C 13 30.934 0.4 . 1 . . . . . 78 PRO CB . 16485 1 917 . 1 1 78 78 PRO CD C 13 48.084 0.4 . 1 . . . . . 78 PRO CD . 16485 1 918 . 1 1 78 78 PRO CG C 13 25.984 0.4 . 1 . . . . . 78 PRO CG . 16485 1 919 . 1 1 79 79 THR H H 1 7.504 0.04 . 1 . . . . . 79 THR H . 16485 1 920 . 1 1 79 79 THR HA H 1 4.515 0.04 . 1 . . . . . 79 THR HA . 16485 1 921 . 1 1 79 79 THR HB H 1 4.288 0.04 . 1 . . . . . 79 THR HB . 16485 1 922 . 1 1 79 79 THR HG21 H 1 1.072 0.04 . 1 . . . . . 79 THR HG2 . 16485 1 923 . 1 1 79 79 THR HG22 H 1 1.072 0.04 . 1 . . . . . 79 THR HG2 . 16485 1 924 . 1 1 79 79 THR HG23 H 1 1.072 0.04 . 1 . . . . . 79 THR HG2 . 16485 1 925 . 1 1 79 79 THR C C 13 175.960 0.4 . 1 . . . . . 79 THR C . 16485 1 926 . 1 1 79 79 THR CA C 13 61.657 0.4 . 1 . . . . . 79 THR CA . 16485 1 927 . 1 1 79 79 THR CB C 13 72.021 0.4 . 1 . . . . . 79 THR CB . 16485 1 928 . 1 1 79 79 THR CG2 C 13 22.049 0.4 . 1 . . . . . 79 THR CG2 . 16485 1 929 . 1 1 79 79 THR N N 15 108.769 0.1 . 1 . . . . . 79 THR N . 16485 1 930 . 1 1 80 80 ILE H H 1 8.003 0.04 . 1 . . . . . 80 ILE H . 16485 1 931 . 1 1 80 80 ILE HA H 1 4.085 0.04 . 1 . . . . . 80 ILE HA . 16485 1 932 . 1 1 80 80 ILE HB H 1 1.486 0.04 . 1 . . . . . 80 ILE HB . 16485 1 933 . 1 1 80 80 ILE HD11 H 1 0.559 0.04 . 1 . . . . . 80 ILE HD1 . 16485 1 934 . 1 1 80 80 ILE HD12 H 1 0.559 0.04 . 1 . . . . . 80 ILE HD1 . 16485 1 935 . 1 1 80 80 ILE HD13 H 1 0.559 0.04 . 1 . . . . . 80 ILE HD1 . 16485 1 936 . 1 1 80 80 ILE HG12 H 1 1.266 0.04 . 1 . . . . . 80 ILE HG12 . 16485 1 937 . 1 1 80 80 ILE HG13 H 1 0.750 0.04 . 1 . . . . . 80 ILE HG13 . 16485 1 938 . 1 1 80 80 ILE HG21 H 1 0.696 0.04 . 1 . . . . . 80 ILE HG2 . 16485 1 939 . 1 1 80 80 ILE HG22 H 1 0.696 0.04 . 1 . . . . . 80 ILE HG2 . 16485 1 940 . 1 1 80 80 ILE HG23 H 1 0.696 0.04 . 1 . . . . . 80 ILE HG2 . 16485 1 941 . 1 1 80 80 ILE C C 13 176.470 0.4 . 1 . . . . . 80 ILE C . 16485 1 942 . 1 1 80 80 ILE CA C 13 61.470 0.4 . 1 . . . . . 80 ILE CA . 16485 1 943 . 1 1 80 80 ILE CB C 13 38.400 0.4 . 1 . . . . . 80 ILE CB . 16485 1 944 . 1 1 80 80 ILE CD1 C 13 13.465 0.4 . 1 . . . . . 80 ILE CD1 . 16485 1 945 . 1 1 80 80 ILE CG1 C 13 26.631 0.4 . 1 . . . . . 80 ILE CG1 . 16485 1 946 . 1 1 80 80 ILE CG2 C 13 17.499 0.4 . 1 . . . . . 80 ILE CG2 . 16485 1 947 . 1 1 80 80 ILE N N 15 125.984 0.1 . 1 . . . . . 80 ILE N . 16485 1 948 . 1 1 81 81 PHE H H 1 8.332 0.04 . 1 . . . . . 81 PHE H . 16485 1 949 . 1 1 81 81 PHE HA H 1 4.902 0.04 . 1 . . . . . 81 PHE HA . 16485 1 950 . 1 1 81 81 PHE HB2 H 1 3.270 0.04 . 1 . . . . . 81 PHE HB2 . 16485 1 951 . 1 1 81 81 PHE HB3 H 1 2.724 0.04 . 1 . . . . . 81 PHE HB3 . 16485 1 952 . 1 1 81 81 PHE HD1 H 1 7.088 0.04 . 3 . . . . . 81 PHE HD . 16485 1 953 . 1 1 81 81 PHE HD2 H 1 7.088 0.04 . 3 . . . . . 81 PHE HD . 16485 1 954 . 1 1 81 81 PHE HE1 H 1 6.701 0.04 . 3 . . . . . 81 PHE HE . 16485 1 955 . 1 1 81 81 PHE HE2 H 1 6.701 0.04 . 3 . . . . . 81 PHE HE . 16485 1 956 . 1 1 81 81 PHE HZ H 1 6.525 0.04 . 1 . . . . . 81 PHE HZ . 16485 1 957 . 1 1 81 81 PHE CA C 13 56.791 0.4 . 1 . . . . . 81 PHE CA . 16485 1 958 . 1 1 81 81 PHE CB C 13 41.976 0.4 . 1 . . . . . 81 PHE CB . 16485 1 959 . 1 1 81 81 PHE CD1 C 13 132.622 0.4 . 3 . . . . . 81 PHE CD1 . 16485 1 960 . 1 1 81 81 PHE CE1 C 13 130.421 0.4 . 3 . . . . . 81 PHE CE1 . 16485 1 961 . 1 1 81 81 PHE N N 15 124.776 0.1 . 1 . . . . . 81 PHE N . 16485 1 962 . 1 1 82 82 LEU H H 1 8.994 0.04 . 1 . . . . . 82 LEU H . 16485 1 963 . 1 1 82 82 LEU HA H 1 4.317 0.04 . 1 . . . . . 82 LEU HA . 16485 1 964 . 1 1 82 82 LEU HB2 H 1 1.700 0.04 . 1 . . . . . 82 LEU HB2 . 16485 1 965 . 1 1 82 82 LEU HB3 H 1 1.610 0.04 . 1 . . . . . 82 LEU HB3 . 16485 1 966 . 1 1 82 82 LEU HD11 H 1 0.913 0.04 . 2 . . . . . 82 LEU HD1 . 16485 1 967 . 1 1 82 82 LEU HD12 H 1 0.913 0.04 . 2 . . . . . 82 LEU HD1 . 16485 1 968 . 1 1 82 82 LEU HD13 H 1 0.913 0.04 . 2 . . . . . 82 LEU HD1 . 16485 1 969 . 1 1 82 82 LEU HD21 H 1 0.866 0.04 . 2 . . . . . 82 LEU HD2 . 16485 1 970 . 1 1 82 82 LEU HD22 H 1 0.866 0.04 . 2 . . . . . 82 LEU HD2 . 16485 1 971 . 1 1 82 82 LEU HD23 H 1 0.866 0.04 . 2 . . . . . 82 LEU HD2 . 16485 1 972 . 1 1 82 82 LEU C C 13 177.299 0.4 . 1 . . . . . 82 LEU C . 16485 1 973 . 1 1 82 82 LEU CA C 13 55.709 0.4 . 1 . . . . . 82 LEU CA . 16485 1 974 . 1 1 82 82 LEU CB C 13 42.686 0.4 . 1 . . . . . 82 LEU CB . 16485 1 975 . 1 1 82 82 LEU CD1 C 13 25.116 0.4 . 1 . . . . . 82 LEU CD1 . 16485 1 976 . 1 1 82 82 LEU CD2 C 13 23.857 0.4 . 1 . . . . . 82 LEU CD2 . 16485 1 977 . 1 1 83 83 GLU H H 1 8.504 0.04 . 1 . . . . . 83 GLU H . 16485 1 978 . 1 1 83 83 GLU HA H 1 4.354 0.04 . 1 . . . . . 83 GLU HA . 16485 1 979 . 1 1 83 83 GLU HB2 H 1 2.050 0.04 . 1 . . . . . 83 GLU HB2 . 16485 1 980 . 1 1 83 83 GLU HB3 H 1 1.955 0.04 . 1 . . . . . 83 GLU HB3 . 16485 1 981 . 1 1 83 83 GLU HG2 H 1 2.293 0.04 . 2 . . . . . 83 GLU HG . 16485 1 982 . 1 1 83 83 GLU HG3 H 1 2.293 0.04 . 2 . . . . . 83 GLU HG . 16485 1 983 . 1 1 83 83 GLU C C 13 176.039 0.4 . 1 . . . . . 83 GLU C . 16485 1 984 . 1 1 83 83 GLU CA C 13 56.536 0.4 . 1 . . . . . 83 GLU CA . 16485 1 985 . 1 1 83 83 GLU CB C 13 30.527 0.4 . 1 . . . . . 83 GLU CB . 16485 1 986 . 1 1 83 83 GLU CG C 13 36.353 0.4 . 1 . . . . . 83 GLU CG . 16485 1 987 . 1 1 83 83 GLU N N 15 121.489 0.1 . 1 . . . . . 83 GLU N . 16485 1 988 . 1 1 84 84 LEU H H 1 8.239 0.04 . 1 . . . . . 84 LEU H . 16485 1 989 . 1 1 84 84 LEU HA H 1 4.345 0.04 . 1 . . . . . 84 LEU HA . 16485 1 990 . 1 1 84 84 LEU HB2 H 1 1.608 0.04 . 1 . . . . . 84 LEU HB2 . 16485 1 991 . 1 1 84 84 LEU HB3 H 1 1.560 0.04 . 1 . . . . . 84 LEU HB3 . 16485 1 992 . 1 1 84 84 LEU HD11 H 1 0.808 0.04 . 2 . . . . . 84 LEU HD1 . 16485 1 993 . 1 1 84 84 LEU HD12 H 1 0.808 0.04 . 2 . . . . . 84 LEU HD1 . 16485 1 994 . 1 1 84 84 LEU HD13 H 1 0.808 0.04 . 2 . . . . . 84 LEU HD1 . 16485 1 995 . 1 1 84 84 LEU HD21 H 1 0.866 0.04 . 2 . . . . . 84 LEU HD2 . 16485 1 996 . 1 1 84 84 LEU HD22 H 1 0.866 0.04 . 2 . . . . . 84 LEU HD2 . 16485 1 997 . 1 1 84 84 LEU HD23 H 1 0.866 0.04 . 2 . . . . . 84 LEU HD2 . 16485 1 998 . 1 1 84 84 LEU HG H 1 1.076 0.04 . 1 . . . . . 84 LEU HG . 16485 1 999 . 1 1 84 84 LEU C C 13 176.811 0.4 . 1 . . . . . 84 LEU C . 16485 1 1000 . 1 1 84 84 LEU CA C 13 55.413 0.4 . 1 . . . . . 84 LEU CA . 16485 1 1001 . 1 1 84 84 LEU CB C 13 42.730 0.4 . 1 . . . . . 84 LEU CB . 16485 1 1002 . 1 1 84 84 LEU CD1 C 13 23.875 0.4 . 1 . . . . . 84 LEU CD1 . 16485 1 1003 . 1 1 84 84 LEU CD2 C 13 25.183 0.4 . 1 . . . . . 84 LEU CD2 . 16485 1 1004 . 1 1 84 84 LEU N N 15 123.388 0.1 . 1 . . . . . 84 LEU N . 16485 1 1005 . 1 1 85 85 VAL H H 1 8.027 0.04 . 1 . . . . . 85 VAL H . 16485 1 1006 . 1 1 85 85 VAL HA H 1 4.365 0.04 . 1 . . . . . 85 VAL HA . 16485 1 1007 . 1 1 85 85 VAL HB H 1 2.033 0.04 . 1 . . . . . 85 VAL HB . 16485 1 1008 . 1 1 85 85 VAL HG11 H 1 0.904 0.04 . 2 . . . . . 85 VAL HG . 16485 1 1009 . 1 1 85 85 VAL HG12 H 1 0.904 0.04 . 2 . . . . . 85 VAL HG . 16485 1 1010 . 1 1 85 85 VAL HG13 H 1 0.904 0.04 . 2 . . . . . 85 VAL HG . 16485 1 1011 . 1 1 85 85 VAL HG21 H 1 0.904 0.04 . 2 . . . . . 85 VAL HG . 16485 1 1012 . 1 1 85 85 VAL HG22 H 1 0.904 0.04 . 2 . . . . . 85 VAL HG . 16485 1 1013 . 1 1 85 85 VAL HG23 H 1 0.904 0.04 . 2 . . . . . 85 VAL HG . 16485 1 1014 . 1 1 85 85 VAL CA C 13 59.854 0.4 . 1 . . . . . 85 VAL CA . 16485 1 1015 . 1 1 85 85 VAL CB C 13 33.021 0.4 . 1 . . . . . 85 VAL CB . 16485 1 1016 . 1 1 85 85 VAL CG1 C 13 20.691 0.4 . 2 . . . . . 85 VAL CG1 . 16485 1 1017 . 1 1 85 85 VAL N N 15 122.651 0.1 . 1 . . . . . 85 VAL N . 16485 1 1018 . 1 1 86 86 PRO HA H 1 4.365 0.04 . 1 . . . . . 86 PRO HA . 16485 1 1019 . 1 1 86 86 PRO HB2 H 1 2.037 0.04 . 1 . . . . . 86 PRO HB2 . 16485 1 1020 . 1 1 86 86 PRO HB3 H 1 1.923 0.04 . 1 . . . . . 86 PRO HB3 . 16485 1 1021 . 1 1 86 86 PRO HD2 H 1 3.829 0.04 . 1 . . . . . 86 PRO HD2 . 16485 1 1022 . 1 1 86 86 PRO HD3 H 1 3.631 0.04 . 1 . . . . . 86 PRO HD3 . 16485 1 1023 . 1 1 86 86 PRO HG2 H 1 2.250 0.04 . 2 . . . . . 86 PRO HG . 16485 1 1024 . 1 1 86 86 PRO HG3 H 1 2.250 0.04 . 2 . . . . . 86 PRO HG . 16485 1 1025 . 1 1 86 86 PRO C C 13 175.966 0.4 . 1 . . . . . 86 PRO C . 16485 1 1026 . 1 1 86 86 PRO CA C 13 63.602 0.4 . 1 . . . . . 86 PRO CA . 16485 1 1027 . 1 1 86 86 PRO CB C 13 27.688 0.4 . 1 . . . . . 86 PRO CB . 16485 1 1028 . 1 1 86 86 PRO CD C 13 51.394 0.4 . 1 . . . . . 86 PRO CD . 16485 1 1029 . 1 1 86 86 PRO CG C 13 32.273 0.4 . 1 . . . . . 86 PRO CG . 16485 1 1030 . 1 1 87 87 ARG H H 1 7.968 0.04 . 1 . . . . . 87 ARG H . 16485 1 1031 . 1 1 87 87 ARG HA H 1 4.130 0.04 . 1 . . . . . 87 ARG HA . 16485 1 1032 . 1 1 87 87 ARG HB2 H 1 1.820 0.04 . 1 . . . . . 87 ARG HB2 . 16485 1 1033 . 1 1 87 87 ARG HB3 H 1 1.688 0.04 . 1 . . . . . 87 ARG HB3 . 16485 1 1034 . 1 1 87 87 ARG HD2 H 1 3.163 0.04 . 2 . . . . . 87 ARG HD . 16485 1 1035 . 1 1 87 87 ARG HD3 H 1 3.163 0.04 . 2 . . . . . 87 ARG HD . 16485 1 1036 . 1 1 87 87 ARG HG2 H 1 1.615 0.04 . 2 . . . . . 87 ARG HG . 16485 1 1037 . 1 1 87 87 ARG HG3 H 1 1.615 0.04 . 2 . . . . . 87 ARG HG . 16485 1 1038 . 1 1 87 87 ARG CA C 13 68.037 0.4 . 1 . . . . . 87 ARG CA . 16485 1 1039 . 1 1 87 87 ARG CB C 13 31.781 0.4 . 1 . . . . . 87 ARG CB . 16485 1 1040 . 1 1 87 87 ARG CD C 13 43.769 0.4 . 1 . . . . . 87 ARG CD . 16485 1 1041 . 1 1 87 87 ARG CG C 13 27.416 0.4 . 1 . . . . . 87 ARG CG . 16485 1 1042 . 1 1 87 87 ARG N N 15 126.915 0.1 . 1 . . . . . 87 ARG N . 16485 1 stop_ save_ ################################### # 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_shifts_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assigned_chem_shifts_list_2 _Assigned_chem_shift_list.Entry_ID 16485 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 9 '2D 1H-1H NOESY' . . . 16485 2 10 '2D 1H-1H TOCSY' . . . 16485 2 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 . . 16485 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 DG H1' H 1 5.972 0.04 . 1 . . . . . 88 G H1' . 16485 2 2 . 2 2 1 1 DG H2' H 1 2.632 0.04 . 1 . . . . . 88 G H2' . 16485 2 3 . 2 2 1 1 DG H2'' H 1 2.749 0.04 . 1 . . . . . 88 G H2'' . 16485 2 4 . 2 2 1 1 DG H3' H 1 4.812 0.04 . 1 . . . . . 88 G H3' . 16485 2 5 . 2 2 1 1 DG H4' H 1 4.218 0.04 . 1 . . . . . 88 G H4' . 16485 2 6 . 2 2 1 1 DG H5' H 1 3.708 0.04 . 1 . . . . . 88 G H5' . 16485 2 7 . 2 2 1 1 DG H5'' H 1 3.711 0.04 . 1 . . . . . 88 G H5'' . 16485 2 8 . 2 2 1 1 DG H8 H 1 7.945 0.04 . 1 . . . . . 88 G H8 . 16485 2 9 . 2 2 2 2 DC H1' H 1 6.092 0.04 . 1 . . . . . 89 C H1' . 16485 2 10 . 2 2 2 2 DC H2' H 1 2.158 0.04 . 1 . . . . . 89 C H2' . 16485 2 11 . 2 2 2 2 DC H2'' H 1 2.551 0.04 . 1 . . . . . 89 C H2'' . 16485 2 12 . 2 2 2 2 DC H3' H 1 4.808 0.04 . 1 . . . . . 89 C H3' . 16485 2 13 . 2 2 2 2 DC H4' H 1 4.256 0.04 . 1 . . . . . 89 C H4' . 16485 2 14 . 2 2 2 2 DC H5 H 1 5.345 0.04 . 1 . . . . . 89 C H5 . 16485 2 15 . 2 2 2 2 DC H5' H 1 4.132 0.04 . 1 . . . . . 89 C H5' . 16485 2 16 . 2 2 2 2 DC H5'' H 1 4.166 0.04 . 1 . . . . . 89 C H5'' . 16485 2 17 . 2 2 2 2 DC H6 H 1 7.513 0.04 . 1 . . . . . 89 C H6 . 16485 2 18 . 2 2 2 2 DC H41 H 1 6.635 0.04 . 1 . . . . . 89 C H41 . 16485 2 19 . 2 2 2 2 DC H42 H 1 8.229 0.04 . 1 . . . . . 89 C H42 . 16485 2 20 . 2 2 3 3 DT H1' H 1 6.048 0.04 . 1 . . . . . 90 T H1' . 16485 2 21 . 2 2 3 3 DT H2' H 1 2.142 0.04 . 1 . . . . . 90 T H2' . 16485 2 22 . 2 2 3 3 DT H2'' H 1 2.556 0.04 . 1 . . . . . 90 T H2'' . 16485 2 23 . 2 2 3 3 DT H3 H 1 14.072 0.04 . 1 . . . . . 90 T H3 . 16485 2 24 . 2 2 3 3 DT H3' H 1 4.850 0.04 . 1 . . . . . 90 T H3' . 16485 2 25 . 2 2 3 3 DT H4' H 1 4.174 0.04 . 1 . . . . . 90 T H4' . 16485 2 26 . 2 2 3 3 DT H5' H 1 4.092 0.04 . 1 . . . . . 90 T H5' . 16485 2 27 . 2 2 3 3 DT H5'' H 1 4.134 0.04 . 1 . . . . . 90 T H5'' . 16485 2 28 . 2 2 3 3 DT H6 H 1 7.421 0.04 . 1 . . . . . 90 T H6 . 16485 2 29 . 2 2 3 3 DT H71 H 1 1.590 0.04 . 2 . . . . . 90 T H7 . 16485 2 30 . 2 2 3 3 DT H72 H 1 1.590 0.04 . 2 . . . . . 90 T H7 . 16485 2 31 . 2 2 3 3 DT H73 H 1 1.590 0.04 . 2 . . . . . 90 T H7 . 16485 2 32 . 2 2 4 4 DT H1' H 1 5.804 0.04 . 1 . . . . . 91 T H1' . 16485 2 33 . 2 2 4 4 DT H2' H 1 2.160 0.04 . 1 . . . . . 91 T H2' . 16485 2 34 . 2 2 4 4 DT H2'' H 1 2.496 0.04 . 1 . . . . . 91 T H2'' . 16485 2 35 . 2 2 4 4 DT H3 H 1 13.671 0.04 . 1 . . . . . 91 T H3 . 16485 2 36 . 2 2 4 4 DT H4' H 1 4.857 0.04 . 1 . . . . . 91 T H4' . 16485 2 37 . 2 2 4 4 DT H6 H 1 7.344 0.04 . 1 . . . . . 91 T H6 . 16485 2 38 . 2 2 4 4 DT H71 H 1 1.663 0.04 . 2 . . . . . 91 T H7 . 16485 2 39 . 2 2 4 4 DT H72 H 1 1.663 0.04 . 2 . . . . . 91 T H7 . 16485 2 40 . 2 2 4 4 DT H73 H 1 1.663 0.04 . 2 . . . . . 91 T H7 . 16485 2 41 . 2 2 5 5 DG H1 H 1 12.370 0.04 . 1 . . . . . 92 G H1 . 16485 2 42 . 2 2 5 5 DG H1' H 1 5.891 0.04 . 1 . . . . . 92 G H1' . 16485 2 43 . 2 2 5 5 DG H2' H 1 2.559 0.04 . 1 . . . . . 92 G H2' . 16485 2 44 . 2 2 5 5 DG H2'' H 1 2.738 0.04 . 1 . . . . . 92 G H2'' . 16485 2 45 . 2 2 5 5 DG H3' H 1 4.896 0.04 . 1 . . . . . 92 G H3' . 16485 2 46 . 2 2 5 5 DG H4' H 1 4.349 0.04 . 1 . . . . . 92 G H4' . 16485 2 47 . 2 2 5 5 DG H5' H 1 4.089 0.04 . 1 . . . . . 92 G H5' . 16485 2 48 . 2 2 5 5 DG H5'' H 1 4.126 0.04 . 1 . . . . . 92 G H5'' . 16485 2 49 . 2 2 5 5 DG H8 H 1 7.821 0.04 . 1 . . . . . 92 G H8 . 16485 2 50 . 2 2 6 6 DT H1' H 1 5.805 0.04 . 1 . . . . . 93 T H1' . 16485 2 51 . 2 2 6 6 DT H2' H 1 2.065 0.04 . 1 . . . . . 93 T H2' . 16485 2 52 . 2 2 6 6 DT H2'' H 1 2.429 0.04 . 1 . . . . . 93 T H2'' . 16485 2 53 . 2 2 6 6 DT H3 H 1 13.358 0.04 . 1 . . . . . 93 T H3 . 16485 2 54 . 2 2 6 6 DT H3' H 1 4.764 0.04 . 1 . . . . . 93 T H3' . 16485 2 55 . 2 2 6 6 DT H4' H 1 4.338 0.04 . 1 . . . . . 93 T H4' . 16485 2 56 . 2 2 6 6 DT H5' H 1 4.089 0.04 . 1 . . . . . 93 T H5' . 16485 2 57 . 2 2 6 6 DT H5'' H 1 4.134 0.04 . 1 . . . . . 93 T H5'' . 16485 2 58 . 2 2 6 6 DT H6 H 1 7.094 0.04 . 1 . . . . . 93 T H6 . 16485 2 59 . 2 2 6 6 DT H71 H 1 1.336 0.04 . 2 . . . . . 93 T H7 . 16485 2 60 . 2 2 6 6 DT H72 H 1 1.336 0.04 . 2 . . . . . 93 T H7 . 16485 2 61 . 2 2 6 6 DT H73 H 1 1.336 0.04 . 2 . . . . . 93 T H7 . 16485 2 62 . 2 2 7 7 DG H1 H 1 12.434 0.04 . 1 . . . . . 94 G H1 . 16485 2 63 . 2 2 7 7 DG H1' H 1 5.879 0.04 . 1 . . . . . 94 G H1' . 16485 2 64 . 2 2 7 7 DG H2' H 1 2.515 0.04 . 1 . . . . . 94 G H2' . 16485 2 65 . 2 2 7 7 DG H2'' H 1 2.689 0.04 . 1 . . . . . 94 G H2'' . 16485 2 66 . 2 2 7 7 DG H3' H 1 4.892 0.04 . 1 . . . . . 94 G H3' . 16485 2 67 . 2 2 7 7 DG H4' H 1 4.294 0.04 . 1 . . . . . 94 G H4' . 16485 2 68 . 2 2 7 7 DG H5' H 1 4.162 0.04 . 1 . . . . . 94 G H5' . 16485 2 69 . 2 2 7 7 DG H5'' H 1 4.098 0.04 . 1 . . . . . 94 G H5'' . 16485 2 70 . 2 2 7 7 DG H8 H 1 7.763 0.04 . 1 . . . . . 94 G H8 . 16485 2 71 . 2 2 8 8 DT H1' H 1 5.694 0.04 . 1 . . . . . 95 T H1' . 16485 2 72 . 2 2 8 8 DT H2' H 1 2.296 0.04 . 1 . . . . . 95 T H2' . 16485 2 73 . 2 2 8 8 DT H2'' H 1 1.883 0.04 . 1 . . . . . 95 T H2'' . 16485 2 74 . 2 2 8 8 DT H3 H 1 13.556 0.04 . 1 . . . . . 95 T H3 . 16485 2 75 . 2 2 8 8 DT H3' H 1 4.889 0.04 . 1 . . . . . 95 T H3' . 16485 2 76 . 2 2 8 8 DT H4' H 1 4.297 0.04 . 1 . . . . . 95 T H4' . 16485 2 77 . 2 2 8 8 DT H5' H 1 4.105 0.04 . 1 . . . . . 95 T H5' . 16485 2 78 . 2 2 8 8 DT H5'' H 1 4.156 0.04 . 1 . . . . . 95 T H5'' . 16485 2 79 . 2 2 8 8 DT H6 H 1 7.062 0.04 . 1 . . . . . 95 T H6 . 16485 2 80 . 2 2 8 8 DT H71 H 1 1.315 0.04 . 2 . . . . . 95 T H7 . 16485 2 81 . 2 2 8 8 DT H72 H 1 1.315 0.04 . 2 . . . . . 95 T H7 . 16485 2 82 . 2 2 8 8 DT H73 H 1 1.315 0.04 . 2 . . . . . 95 T H7 . 16485 2 83 . 2 2 9 9 DG H1 H 1 12.778 0.04 . 1 . . . . . 96 G H1 . 16485 2 84 . 2 2 9 9 DG H1' H 1 5.545 0.04 . 1 . . . . . 96 G H1' . 16485 2 85 . 2 2 9 9 DG H2' H 1 2.579 0.04 . 1 . . . . . 96 G H2' . 16485 2 86 . 2 2 9 9 DG H2'' H 1 2.691 0.04 . 1 . . . . . 96 G H2'' . 16485 2 87 . 2 2 9 9 DG H8 H 1 7.767 0.04 . 1 . . . . . 96 G H8 . 16485 2 88 . 2 2 11 11 DG H1' H 1 5.760 0.04 . 1 . . . . . 98 G H1' . 16485 2 89 . 2 2 11 11 DG H2' H 1 2.392 0.04 . 1 . . . . . 98 G H2' . 16485 2 90 . 2 2 11 11 DG H2'' H 1 2.622 0.04 . 1 . . . . . 98 G H2'' . 16485 2 91 . 2 2 11 11 DG H3' H 1 4.890 0.04 . 1 . . . . . 98 G H3' . 16485 2 92 . 2 2 11 11 DG H4' H 1 4.308 0.04 . 1 . . . . . 98 G H4' . 16485 2 93 . 2 2 11 11 DG H5' H 1 4.113 0.04 . 1 . . . . . 98 G H5' . 16485 2 94 . 2 2 11 11 DG H5'' H 1 4.126 0.04 . 1 . . . . . 98 G H5'' . 16485 2 95 . 2 2 11 11 DG H8 H 1 7.576 0.04 . 1 . . . . . 98 G H8 . 16485 2 96 . 2 2 12 12 DC H1' H 1 5.487 0.04 . 1 . . . . . 99 C H1' . 16485 2 97 . 2 2 12 12 DC H2' H 1 1.895 0.04 . 1 . . . . . 99 C H2' . 16485 2 98 . 2 2 12 12 DC H2'' H 1 2.278 0.04 . 1 . . . . . 99 C H2'' . 16485 2 99 . 2 2 12 12 DC H3' H 1 4.784 0.04 . 1 . . . . . 99 C H3' . 16485 2 100 . 2 2 12 12 DC H4' H 1 4.326 0.04 . 1 . . . . . 99 C H4' . 16485 2 101 . 2 2 12 12 DC H5 H 1 5.237 0.04 . 1 . . . . . 99 C H5 . 16485 2 102 . 2 2 12 12 DC H5' H 1 4.072 0.04 . 1 . . . . . 99 C H5' . 16485 2 103 . 2 2 12 12 DC H5'' H 1 4.115 0.04 . 1 . . . . . 99 C H5'' . 16485 2 104 . 2 2 12 12 DC H6 H 1 7.243 0.04 . 1 . . . . . 99 C H6 . 16485 2 105 . 2 2 12 12 DC H41 H 1 6.328 0.04 . 1 . . . . . 99 C H41 . 16485 2 106 . 2 2 12 12 DC H42 H 1 8.300 0.04 . 1 . . . . . 99 C H42 . 16485 2 107 . 2 2 13 13 DA H1' H 1 5.954 0.04 . 1 . . . . . 100 A H1' . 16485 2 108 . 2 2 13 13 DA H2 H 1 7.602 0.04 . 1 . . . . . 100 A H2 . 16485 2 109 . 2 2 13 13 DA H2' H 1 2.679 0.04 . 1 . . . . . 100 A H2' . 16485 2 110 . 2 2 13 13 DA H2'' H 1 2.838 0.04 . 1 . . . . . 100 A H2'' . 16485 2 111 . 2 2 13 13 DA H3' H 1 4.997 0.04 . 1 . . . . . 100 A H3' . 16485 2 112 . 2 2 13 13 DA H4' H 1 4.339 0.04 . 1 . . . . . 100 A H4' . 16485 2 113 . 2 2 13 13 DA H5' H 1 3.970 0.04 . 1 . . . . . 100 A H5' . 16485 2 114 . 2 2 13 13 DA H5'' H 1 4.077 0.04 . 1 . . . . . 100 A H5'' . 16485 2 115 . 2 2 13 13 DA H8 H 1 8.150 0.04 . 1 . . . . . 100 A H8 . 16485 2 116 . 2 2 14 14 DG H1 H 1 12.771 0.04 . 1 . . . . . 101 G H1 . 16485 2 117 . 2 2 14 14 DG H1' H 1 5.706 0.04 . 1 . . . . . 101 G H1' . 16485 2 118 . 2 2 14 14 DG H2' H 1 2.466 0.04 . 1 . . . . . 101 G H2' . 16485 2 119 . 2 2 14 14 DG H2'' H 1 2.588 0.04 . 1 . . . . . 101 G H2'' . 16485 2 120 . 2 2 14 14 DG H3' H 1 4.932 0.04 . 1 . . . . . 101 G H3' . 16485 2 121 . 2 2 14 14 DG H4' H 1 4.332 0.04 . 1 . . . . . 101 G H4' . 16485 2 122 . 2 2 14 14 DG H5' H 1 4.078 0.04 . 1 . . . . . 101 G H5' . 16485 2 123 . 2 2 14 14 DG H5'' H 1 4.142 0.04 . 1 . . . . . 101 G H5'' . 16485 2 124 . 2 2 14 14 DG H8 H 1 7.664 0.04 . 1 . . . . . 101 G H8 . 16485 2 125 . 2 2 15 15 DC H1' H 1 5.712 0.04 . 1 . . . . . 102 C H1' . 16485 2 126 . 2 2 15 15 DC H2' H 1 1.838 0.04 . 1 . . . . . 102 C H2' . 16485 2 127 . 2 2 15 15 DC H2'' H 1 2.293 0.04 . 1 . . . . . 102 C H2'' . 16485 2 128 . 2 2 15 15 DC H3' H 1 4.934 0.04 . 1 . . . . . 102 C H3' . 16485 2 129 . 2 2 15 15 DC H4' H 1 4.331 0.04 . 1 . . . . . 102 C H4' . 16485 2 130 . 2 2 15 15 DC H5 H 1 5.318 0.04 . 1 . . . . . 102 C H5 . 16485 2 131 . 2 2 15 15 DC H5' H 1 4.071 0.04 . 1 . . . . . 102 C H5' . 16485 2 132 . 2 2 15 15 DC H5'' H 1 4.116 0.04 . 1 . . . . . 102 C H5'' . 16485 2 133 . 2 2 15 15 DC H6 H 1 7.255 0.04 . 1 . . . . . 102 C H6 . 16485 2 134 . 2 2 15 15 DC H41 H 1 6.469 0.04 . 1 . . . . . 102 C H41 . 16485 2 135 . 2 2 15 15 DC H42 H 1 8.317 0.04 . 1 . . . . . 102 C H42 . 16485 2 136 . 2 2 16 16 DG H1' H 1 6.118 0.04 . 1 . . . . . 103 G H1' . 16485 2 137 . 2 2 16 16 DG H2' H 1 2.332 0.04 . 1 . . . . . 103 G H2' . 16485 2 138 . 2 2 16 16 DG H2'' H 1 2.567 0.04 . 1 . . . . . 103 G H2'' . 16485 2 139 . 2 2 16 16 DG H3' H 1 4.637 0.04 . 1 . . . . . 103 G H3' . 16485 2 140 . 2 2 16 16 DG H4' H 1 4.137 0.04 . 1 . . . . . 103 G H4' . 16485 2 141 . 2 2 16 16 DG H5' H 1 4.102 0.04 . 1 . . . . . 103 G H5' . 16485 2 142 . 2 2 16 16 DG H5'' H 1 4.034 0.04 . 1 . . . . . 103 G H5'' . 16485 2 143 . 2 2 16 16 DG H8 H 1 7.893 0.04 . 1 . . . . . 103 G H8 . 16485 2 144 . 2 2 17 17 DC H1' H 1 5.738 0.04 . 1 . . . . . 104 C H1' . 16485 2 145 . 2 2 17 17 DC H2' H 1 1.946 0.04 . 1 . . . . . 104 C H2' . 16485 2 146 . 2 2 17 17 DC H2'' H 1 2.397 0.04 . 1 . . . . . 104 C H2'' . 16485 2 147 . 2 2 17 17 DC H3' H 1 4.682 0.04 . 1 . . . . . 104 C H3' . 16485 2 148 . 2 2 17 17 DC H4' H 1 4.039 0.04 . 1 . . . . . 104 C H4' . 16485 2 149 . 2 2 17 17 DC H5 H 1 5.872 0.04 . 1 . . . . . 104 C H5 . 16485 2 150 . 2 2 17 17 DC H5' H 1 3.699 0.04 . 1 . . . . . 104 C H5' . 16485 2 151 . 2 2 17 17 DC H5'' H 1 3.699 0.04 . 1 . . . . . 104 C H5'' . 16485 2 152 . 2 2 17 17 DC H6 H 1 7.603 0.04 . 1 . . . . . 104 C H6 . 16485 2 153 . 2 2 18 18 DG H1 H 1 12.999 0.04 . 1 . . . . . 105 G H1 . 16485 2 154 . 2 2 18 18 DG H1' H 1 5.899 0.04 . 1 . . . . . 105 G H1' . 16485 2 155 . 2 2 18 18 DG H2' H 1 2.665 0.04 . 1 . . . . . 105 G H2' . 16485 2 156 . 2 2 18 18 DG H2'' H 1 2.705 0.04 . 1 . . . . . 105 G H2'' . 16485 2 157 . 2 2 18 18 DG H3' H 1 4.951 0.04 . 1 . . . . . 105 G H3' . 16485 2 158 . 2 2 18 18 DG H4' H 1 4.338 0.04 . 1 . . . . . 105 G H4' . 16485 2 159 . 2 2 18 18 DG H5' H 1 3.966 0.04 . 1 . . . . . 105 G H5' . 16485 2 160 . 2 2 18 18 DG H5'' H 1 4.073 0.04 . 1 . . . . . 105 G H5'' . 16485 2 161 . 2 2 18 18 DG H8 H 1 7.942 0.04 . 1 . . . . . 105 G H8 . 16485 2 162 . 2 2 19 19 DC H1' H 1 5.985 0.04 . 1 . . . . . 106 C H1' . 16485 2 163 . 2 2 19 19 DC H2' H 1 2.012 0.04 . 1 . . . . . 106 C H2' . 16485 2 164 . 2 2 19 19 DC H2'' H 1 2.492 0.04 . 1 . . . . . 106 C H2'' . 16485 2 165 . 2 2 19 19 DC H3' H 1 4.950 0.04 . 1 . . . . . 106 C H3' . 16485 2 166 . 2 2 19 19 DC H4' H 1 4.338 0.04 . 1 . . . . . 106 C H4' . 16485 2 167 . 2 2 19 19 DC H5 H 1 5.331 0.04 . 1 . . . . . 106 C H5 . 16485 2 168 . 2 2 19 19 DC H5' H 1 4.129 0.04 . 1 . . . . . 106 C H5' . 16485 2 169 . 2 2 19 19 DC H5'' H 1 4.222 0.04 . 1 . . . . . 106 C H5'' . 16485 2 170 . 2 2 19 19 DC H6 H 1 7.405 0.04 . 1 . . . . . 106 C H6 . 16485 2 171 . 2 2 19 19 DC H41 H 1 6.520 0.04 . 1 . . . . . 106 C H41 . 16485 2 172 . 2 2 19 19 DC H42 H 1 8.199 0.04 . 1 . . . . . 106 C H42 . 16485 2 173 . 2 2 20 20 DT H1' H 1 5.731 0.04 . 1 . . . . . 107 T H1' . 16485 2 174 . 2 2 20 20 DT H2' H 1 2.036 0.04 . 1 . . . . . 107 T H2' . 16485 2 175 . 2 2 20 20 DT H2'' H 1 2.416 0.04 . 1 . . . . . 107 T H2'' . 16485 2 176 . 2 2 20 20 DT H3 H 1 13.906 0.04 . 1 . . . . . 107 T H3 . 16485 2 177 . 2 2 20 20 DT H3' H 1 4.838 0.04 . 1 . . . . . 107 T H3' . 16485 2 178 . 2 2 20 20 DT H4' H 1 4.217 0.04 . 1 . . . . . 107 T H4' . 16485 2 179 . 2 2 20 20 DT H5' H 1 4.043 0.04 . 1 . . . . . 107 T H5' . 16485 2 180 . 2 2 20 20 DT H5'' H 1 4.217 0.04 . 1 . . . . . 107 T H5'' . 16485 2 181 . 2 2 20 20 DT H6 H 1 7.271 0.04 . 1 . . . . . 107 T H6 . 16485 2 182 . 2 2 20 20 DT H71 H 1 1.608 0.04 . 2 . . . . . 107 T H7 . 16485 2 183 . 2 2 20 20 DT H72 H 1 1.608 0.04 . 2 . . . . . 107 T H7 . 16485 2 184 . 2 2 20 20 DT H73 H 1 1.608 0.04 . 2 . . . . . 107 T H7 . 16485 2 185 . 2 2 21 21 DG H1 H 1 12.717 0.04 . 1 . . . . . 108 G H1 . 16485 2 186 . 2 2 21 21 DG H1' H 1 5.797 0.04 . 1 . . . . . 108 G H1' . 16485 2 187 . 2 2 21 21 DG H2' H 1 2.625 0.04 . 1 . . . . . 108 G H2' . 16485 2 188 . 2 2 21 21 DG H2'' H 1 2.634 0.04 . 1 . . . . . 108 G H2'' . 16485 2 189 . 2 2 21 21 DG H3' H 1 4.941 0.04 . 1 . . . . . 108 G H3' . 16485 2 190 . 2 2 21 21 DG H4' H 1 4.346 0.04 . 1 . . . . . 108 G H4' . 16485 2 191 . 2 2 21 21 DG H5' H 1 4.039 0.04 . 1 . . . . . 108 G H5' . 16485 2 192 . 2 2 21 21 DG H5'' H 1 4.106 0.04 . 1 . . . . . 108 G H5'' . 16485 2 193 . 2 2 21 21 DG H8 H 1 7.857 0.04 . 1 . . . . . 108 G H8 . 16485 2 194 . 2 2 22 22 DC H1' H 1 5.895 0.04 . 1 . . . . . 109 C H1' . 16485 2 195 . 2 2 22 22 DC H2' H 1 2.132 0.04 . 1 . . . . . 109 C H2' . 16485 2 196 . 2 2 22 22 DC H2'' H 1 2.427 0.04 . 1 . . . . . 109 C H2'' . 16485 2 197 . 2 2 22 22 DC H5 H 1 5.838 0.04 . 1 . . . . . 109 C H5 . 16485 2 198 . 2 2 22 22 DC H6 H 1 7.366 0.04 . 1 . . . . . 109 C H6 . 16485 2 199 . 2 2 22 22 DC H41 H 1 6.442 0.04 . 1 . . . . . 109 C H41 . 16485 2 200 . 2 2 22 22 DC H42 H 1 8.083 0.04 . 1 . . . . . 109 C H42 . 16485 2 201 . 2 2 23 23 DC H1' H 1 5.834 0.04 . 1 . . . . . 110 C H1' . 16485 2 202 . 2 2 23 23 DC H2' H 1 2.121 0.04 . 1 . . . . . 110 C H2' . 16485 2 203 . 2 2 23 23 DC H2'' H 1 2.409 0.04 . 1 . . . . . 110 C H2'' . 16485 2 204 . 2 2 23 23 DC H4' H 1 4.088 0.04 . 1 . . . . . 110 C H4' . 16485 2 205 . 2 2 23 23 DC H5 H 1 5.429 0.04 . 1 . . . . . 110 C H5 . 16485 2 206 . 2 2 23 23 DC H5' H 1 4.042 0.04 . 1 . . . . . 110 C H5' . 16485 2 207 . 2 2 23 23 DC H5'' H 1 4.006 0.04 . 1 . . . . . 110 C H5'' . 16485 2 208 . 2 2 23 23 DC H6 H 1 7.423 0.04 . 1 . . . . . 110 C H6 . 16485 2 209 . 2 2 23 23 DC H41 H 1 6.592 0.04 . 1 . . . . . 110 C H41 . 16485 2 210 . 2 2 23 23 DC H42 H 1 8.310 0.04 . 1 . . . . . 110 C H42 . 16485 2 211 . 2 2 24 24 DC H1' H 1 5.360 0.04 . 1 . . . . . 111 C H1' . 16485 2 212 . 2 2 24 24 DC H2' H 1 2.007 0.04 . 1 . . . . . 111 C H2' . 16485 2 213 . 2 2 24 24 DC H2'' H 1 2.306 0.04 . 1 . . . . . 111 C H2'' . 16485 2 214 . 2 2 24 24 DC H5 H 1 5.611 0.04 . 1 . . . . . 111 C H5 . 16485 2 215 . 2 2 24 24 DC H6 H 1 7.454 0.04 . 1 . . . . . 111 C H6 . 16485 2 216 . 2 2 24 24 DC H41 H 1 6.744 0.04 . 1 . . . . . 111 C H41 . 16485 2 217 . 2 2 24 24 DC H42 H 1 8.458 0.04 . 1 . . . . . 111 C H42 . 16485 2 218 . 2 2 25 25 DA H1' H 1 6.133 0.04 . 1 . . . . . 112 A H1' . 16485 2 219 . 2 2 25 25 DA H2 H 1 7.600 0.04 . 1 . . . . . 112 A H2 . 16485 2 220 . 2 2 25 25 DA H2' H 1 2.657 0.04 . 1 . . . . . 112 A H2' . 16485 2 221 . 2 2 25 25 DA H2'' H 1 2.829 0.04 . 1 . . . . . 112 A H2'' . 16485 2 222 . 2 2 25 25 DA H3' H 1 4.975 0.04 . 1 . . . . . 112 A H3' . 16485 2 223 . 2 2 25 25 DA H4' H 1 4.359 0.04 . 1 . . . . . 112 A H4' . 16485 2 224 . 2 2 25 25 DA H5' H 1 3.990 0.04 . 1 . . . . . 112 A H5' . 16485 2 225 . 2 2 25 25 DA H5'' H 1 4.081 0.04 . 1 . . . . . 112 A H5'' . 16485 2 226 . 2 2 25 25 DA H8 H 1 8.213 0.04 . 1 . . . . . 112 A H8 . 16485 2 227 . 2 2 26 26 DC H1' H 1 5.412 0.04 . 1 . . . . . 113 C H1' . 16485 2 228 . 2 2 26 26 DC H2' H 1 1.887 0.04 . 1 . . . . . 113 C H2' . 16485 2 229 . 2 2 26 26 DC H2'' H 1 2.268 0.04 . 1 . . . . . 113 C H2'' . 16485 2 230 . 2 2 26 26 DC H3' H 1 4.967 0.04 . 1 . . . . . 113 C H3' . 16485 2 231 . 2 2 26 26 DC H4' H 1 4.359 0.04 . 1 . . . . . 113 C H4' . 16485 2 232 . 2 2 26 26 DC H5 H 1 5.295 0.04 . 1 . . . . . 113 C H5 . 16485 2 233 . 2 2 26 26 DC H5' H 1 4.079 0.04 . 1 . . . . . 113 C H5' . 16485 2 234 . 2 2 26 26 DC H5'' H 1 4.182 0.04 . 1 . . . . . 113 C H5'' . 16485 2 235 . 2 2 26 26 DC H6 H 1 7.224 0.04 . 1 . . . . . 113 C H6 . 16485 2 236 . 2 2 26 26 DC H41 H 1 6.482 0.04 . 1 . . . . . 113 C H41 . 16485 2 237 . 2 2 26 26 DC H42 H 1 8.126 0.04 . 1 . . . . . 113 C H42 . 16485 2 238 . 2 2 27 27 DA H1' H 1 6.090 0.04 . 1 . . . . . 114 A H1' . 16485 2 239 . 2 2 27 27 DA H2 H 1 7.482 0.04 . 1 . . . . . 114 A H2 . 16485 2 240 . 2 2 27 27 DA H2' H 1 2.583 0.04 . 1 . . . . . 114 A H2' . 16485 2 241 . 2 2 27 27 DA H2'' H 1 2.808 0.04 . 1 . . . . . 114 A H2'' . 16485 2 242 . 2 2 27 27 DA H3' H 1 4.953 0.04 . 1 . . . . . 114 A H3' . 16485 2 243 . 2 2 27 27 DA H4' H 1 4.333 0.04 . 1 . . . . . 114 A H4' . 16485 2 244 . 2 2 27 27 DA H5' H 1 4.004 0.04 . 1 . . . . . 114 A H5' . 16485 2 245 . 2 2 27 27 DA H5'' H 1 4.090 0.04 . 1 . . . . . 114 A H5'' . 16485 2 246 . 2 2 27 27 DA H8 H 1 8.135 0.04 . 1 . . . . . 114 A H8 . 16485 2 247 . 2 2 28 28 DC H1' H 1 5.332 0.04 . 1 . . . . . 115 C H1' . 16485 2 248 . 2 2 28 28 DC H2' H 1 1.810 0.04 . 1 . . . . . 115 C H2' . 16485 2 249 . 2 2 28 28 DC H2'' H 1 2.178 0.04 . 1 . . . . . 115 C H2'' . 16485 2 250 . 2 2 28 28 DC H3' H 1 4.952 0.04 . 1 . . . . . 115 C H3' . 16485 2 251 . 2 2 28 28 DC H4' H 1 4.335 0.04 . 1 . . . . . 115 C H4' . 16485 2 252 . 2 2 28 28 DC H5 H 1 5.231 0.04 . 1 . . . . . 115 C H5 . 16485 2 253 . 2 2 28 28 DC H5' H 1 4.147 0.04 . 1 . . . . . 115 C H5' . 16485 2 254 . 2 2 28 28 DC H5'' H 1 4.057 0.04 . 1 . . . . . 115 C H5'' . 16485 2 255 . 2 2 28 28 DC H6 H 1 7.153 0.04 . 1 . . . . . 115 C H6 . 16485 2 256 . 2 2 28 28 DC H41 H 1 6.370 0.04 . 1 . . . . . 115 C H41 . 16485 2 257 . 2 2 28 28 DC H42 H 1 8.124 0.04 . 1 . . . . . 115 C H42 . 16485 2 258 . 2 2 29 29 DA H1' H 1 5.757 0.04 . 1 . . . . . 116 A H1' . 16485 2 259 . 2 2 29 29 DA H2 H 1 7.095 0.04 . 1 . . . . . 116 A H2 . 16485 2 260 . 2 2 29 29 DA H2' H 1 2.616 0.04 . 1 . . . . . 116 A H2' . 16485 2 261 . 2 2 29 29 DA H2'' H 1 2.811 0.04 . 1 . . . . . 116 A H2'' . 16485 2 262 . 2 2 29 29 DA H3' H 1 4.976 0.04 . 1 . . . . . 116 A H3' . 16485 2 263 . 2 2 29 29 DA H4' H 1 4.292 0.04 . 1 . . . . . 116 A H4' . 16485 2 264 . 2 2 29 29 DA H5' H 1 3.944 0.04 . 1 . . . . . 116 A H5' . 16485 2 265 . 2 2 29 29 DA H5'' H 1 4.036 0.04 . 1 . . . . . 116 A H5'' . 16485 2 266 . 2 2 29 29 DA H8 H 1 8.098 0.04 . 1 . . . . . 116 A H8 . 16485 2 267 . 2 2 30 30 DA H1' H 1 5.907 0.04 . 1 . . . . . 117 A H1' . 16485 2 268 . 2 2 30 30 DA H2 H 1 7.509 0.04 . 1 . . . . . 117 A H2 . 16485 2 269 . 2 2 30 30 DA H2' H 1 2.559 0.04 . 1 . . . . . 117 A H2' . 16485 2 270 . 2 2 30 30 DA H2'' H 1 2.754 0.04 . 1 . . . . . 117 A H2'' . 16485 2 271 . 2 2 30 30 DA H3' H 1 4.985 0.04 . 1 . . . . . 117 A H3' . 16485 2 272 . 2 2 30 30 DA H4' H 1 4.336 0.04 . 1 . . . . . 117 A H4' . 16485 2 273 . 2 2 30 30 DA H5' H 1 4.290 0.04 . 1 . . . . . 117 A H5' . 16485 2 274 . 2 2 30 30 DA H5'' H 1 4.151 0.04 . 1 . . . . . 117 A H5'' . 16485 2 275 . 2 2 30 30 DA H8 H 1 8.008 0.04 . 1 . . . . . 117 A H8 . 16485 2 276 . 2 2 31 31 DG H1 H 1 12.888 0.04 . 1 . . . . . 118 G H1 . 16485 2 277 . 2 2 31 31 DG H1' H 1 5.742 0.04 . 1 . . . . . 118 G H1' . 16485 2 278 . 2 2 31 31 DG H2' H 1 2.373 0.04 . 1 . . . . . 118 G H2' . 16485 2 279 . 2 2 31 31 DG H2'' H 1 2.564 0.04 . 1 . . . . . 118 G H2'' . 16485 2 280 . 2 2 31 31 DG H3' H 1 4.857 0.04 . 1 . . . . . 118 G H3' . 16485 2 281 . 2 2 31 31 DG H4' H 1 4.282 0.04 . 1 . . . . . 118 G H4' . 16485 2 282 . 2 2 31 31 DG H5' H 1 4.130 0.04 . 1 . . . . . 118 G H5' . 16485 2 283 . 2 2 31 31 DG H5'' H 1 4.167 0.04 . 1 . . . . . 118 G H5'' . 16485 2 284 . 2 2 31 31 DG H8 H 1 7.537 0.04 . 1 . . . . . 118 G H8 . 16485 2 285 . 2 2 32 32 DC H1' H 1 6.094 0.04 . 1 . . . . . 119 C H1' . 16485 2 286 . 2 2 32 32 DC H2' H 1 2.083 0.04 . 1 . . . . . 119 C H2' . 16485 2 287 . 2 2 32 32 DC H2'' H 1 2.152 0.04 . 1 . . . . . 119 C H2'' . 16485 2 288 . 2 2 32 32 DC H3' H 1 4.422 0.04 . 1 . . . . . 119 C H3' . 16485 2 289 . 2 2 32 32 DC H4' H 1 4.286 0.04 . 1 . . . . . 119 C H4' . 16485 2 290 . 2 2 32 32 DC H5 H 1 5.290 0.04 . 1 . . . . . 119 C H5 . 16485 2 291 . 2 2 32 32 DC H5' H 1 4.001 0.04 . 1 . . . . . 119 C H5' . 16485 2 292 . 2 2 32 32 DC H5'' H 1 3.998 0.04 . 1 . . . . . 119 C H5'' . 16485 2 293 . 2 2 32 32 DC H6 H 1 7.348 0.04 . 1 . . . . . 119 C H6 . 16485 2 294 . 2 2 32 32 DC H41 H 1 6.529 0.04 . 1 . . . . . 119 C H41 . 16485 2 295 . 2 2 32 32 DC H42 H 1 8.083 0.04 . 1 . . . . . 119 C H42 . 16485 2 stop_ save_