################################### # 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 16643 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16643 1 2 '3D CBCA(CO)NH' . . . 16643 1 3 '3D HNCACB' . . . 16643 1 4 '3D HNCO' . . . 16643 1 5 '3D HBHA(CO)NH' . . . 16643 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.8310 0.015 . 2 . . . . 1 GLY HA1 . 16643 1 2 . 1 1 1 1 GLY HA3 H 1 3.8310 0.015 . 2 . . . . 1 GLY HA2 . 16643 1 3 . 1 1 2 2 ALA H H 1 8.6490 0.015 . 1 . . . . 2 ALA HN . 16643 1 4 . 1 1 2 2 ALA HA H 1 4.3450 0.015 . 1 . . . . 2 ALA HA . 16643 1 5 . 1 1 2 2 ALA HB1 H 1 1.3800 0.015 . 1 . . . . 2 ALA HB1 . 16643 1 6 . 1 1 2 2 ALA HB2 H 1 1.3800 0.015 . 1 . . . . 2 ALA HB1 . 16643 1 7 . 1 1 2 2 ALA HB3 H 1 1.3800 0.015 . 1 . . . . 2 ALA HB1 . 16643 1 8 . 1 1 2 2 ALA CA C 13 52.5600 0.05 . 1 . . . . 2 ALA CA . 16643 1 9 . 1 1 2 2 ALA CB C 13 19.4100 0.05 . 1 . . . . 2 ALA CB . 16643 1 10 . 1 1 2 2 ALA N N 15 123.8880 0.05 . 1 . . . . 2 ALA N . 16643 1 11 . 1 1 3 3 MET H H 1 8.5660 0.015 . 1 . . . . 3 MET HN . 16643 1 12 . 1 1 3 3 MET HA H 1 4.4450 0.015 . 1 . . . . 3 MET HA . 16643 1 13 . 1 1 3 3 MET HB2 H 1 2.0550 0.015 . 2 . . . . 3 MET HB1 . 16643 1 14 . 1 1 3 3 MET HB3 H 1 2.0550 0.015 . 2 . . . . 3 MET HB2 . 16643 1 15 . 1 1 3 3 MET CA C 13 55.6580 0.05 . 1 . . . . 3 MET CA . 16643 1 16 . 1 1 3 3 MET CB C 13 32.7110 0.05 . 1 . . . . 3 MET CB . 16643 1 17 . 1 1 3 3 MET N N 15 120.1420 0.05 . 1 . . . . 3 MET N . 16643 1 18 . 1 1 4 4 GLY H H 1 8.5170 0.015 . 1 . . . . 4 GLY HN . 16643 1 19 . 1 1 4 4 GLY HA2 H 1 3.9480 0.015 . 2 . . . . 4 GLY HA1 . 16643 1 20 . 1 1 4 4 GLY HA3 H 1 3.9480 0.015 . 2 . . . . 4 GLY HA2 . 16643 1 21 . 1 1 4 4 GLY CA C 13 45.2070 0.05 . 1 . . . . 4 GLY CA . 16643 1 22 . 1 1 4 4 GLY N N 15 110.8650 0.05 . 1 . . . . 4 GLY N . 16643 1 23 . 1 1 5 5 ALA H H 1 8.1250 0.015 . 1 . . . . 5 ALA HN . 16643 1 24 . 1 1 5 5 ALA HA H 1 4.3320 0.015 . 1 . . . . 5 ALA HA . 16643 1 25 . 1 1 5 5 ALA HB1 H 1 1.3890 0.015 . 1 . . . . 5 ALA HB1 . 16643 1 26 . 1 1 5 5 ALA HB2 H 1 1.3890 0.015 . 1 . . . . 5 ALA HB1 . 16643 1 27 . 1 1 5 5 ALA HB3 H 1 1.3890 0.015 . 1 . . . . 5 ALA HB1 . 16643 1 28 . 1 1 5 5 ALA CA C 13 52.4710 0.05 . 1 . . . . 5 ALA CA . 16643 1 29 . 1 1 5 5 ALA CB C 13 19.5530 0.05 . 1 . . . . 5 ALA CB . 16643 1 30 . 1 1 5 5 ALA N N 15 123.5690 0.05 . 1 . . . . 5 ALA N . 16643 1 31 . 1 1 6 6 LYS H H 1 8.3800 0.015 . 1 . . . . 6 LYS HN . 16643 1 32 . 1 1 6 6 LYS HA H 1 4.2880 0.015 . 1 . . . . 6 LYS HA . 16643 1 33 . 1 1 6 6 LYS HB2 H 1 1.6610 0.015 . 2 . . . . 6 LYS HB1 . 16643 1 34 . 1 1 6 6 LYS HB3 H 1 1.4740 0.015 . 2 . . . . 6 LYS HB2 . 16643 1 35 . 1 1 6 6 LYS CA C 13 56.2250 0.05 . 1 . . . . 6 LYS CA . 16643 1 36 . 1 1 6 6 LYS CB C 13 33.5900 0.05 . 1 . . . . 6 LYS CB . 16643 1 37 . 1 1 6 6 LYS N N 15 121.1970 0.05 . 1 . . . . 6 LYS N . 16643 1 38 . 1 1 7 7 GLU H H 1 8.5770 0.015 . 1 . . . . 7 GLU HN . 16643 1 39 . 1 1 7 7 GLU HA H 1 4.5700 0.015 . 1 . . . . 7 GLU HA . 16643 1 40 . 1 1 7 7 GLU HB2 H 1 1.9130 0.015 . 2 . . . . 7 GLU HB1 . 16643 1 41 . 1 1 7 7 GLU HB3 H 1 1.9130 0.015 . 2 . . . . 7 GLU HB2 . 16643 1 42 . 1 1 7 7 GLU CA C 13 55.5820 0.05 . 1 . . . . 7 GLU CA . 16643 1 43 . 1 1 7 7 GLU CB C 13 31.7840 0.05 . 1 . . . . 7 GLU CB . 16643 1 44 . 1 1 7 7 GLU N N 15 121.3010 0.05 . 1 . . . . 7 GLU N . 16643 1 45 . 1 1 8 8 TYR H H 1 8.7810 0.015 . 1 . . . . 8 TYR HN . 16643 1 46 . 1 1 8 8 TYR HA H 1 5.5850 0.015 . 1 . . . . 8 TYR HA . 16643 1 47 . 1 1 8 8 TYR HB2 H 1 2.9130 0.015 . 2 . . . . 8 TYR HB1 . 16643 1 48 . 1 1 8 8 TYR HB3 H 1 2.6760 0.015 . 2 . . . . 8 TYR HB2 . 16643 1 49 . 1 1 8 8 TYR CA C 13 56.9510 0.05 . 1 . . . . 8 TYR CA . 16643 1 50 . 1 1 8 8 TYR CB C 13 43.0580 0.05 . 1 . . . . 8 TYR CB . 16643 1 51 . 1 1 8 8 TYR N N 15 119.2880 0.05 . 1 . . . . 8 TYR N . 16643 1 52 . 1 1 9 9 CYS H H 1 9.4370 0.015 . 1 . . . . 9 CYS HN . 16643 1 53 . 1 1 9 9 CYS HA H 1 5.5870 0.015 . 1 . . . . 9 CYS HA . 16643 1 54 . 1 1 9 9 CYS HB2 H 1 2.7420 0.015 . 2 . . . . 9 CYS HB1 . 16643 1 55 . 1 1 9 9 CYS HB3 H 1 2.7420 0.015 . 2 . . . . 9 CYS HB2 . 16643 1 56 . 1 1 9 9 CYS CA C 13 55.5140 0.05 . 1 . . . . 9 CYS CA . 16643 1 57 . 1 1 9 9 CYS CB C 13 32.6290 0.05 . 1 . . . . 9 CYS CB . 16643 1 58 . 1 1 9 9 CYS N N 15 115.1680 0.05 . 1 . . . . 9 CYS N . 16643 1 59 . 1 1 10 10 ARG H H 1 9.0990 0.015 . 1 . . . . 10 ARG HN . 16643 1 60 . 1 1 10 10 ARG HA H 1 5.4510 0.015 . 1 . . . . 10 ARG HA . 16643 1 61 . 1 1 10 10 ARG HB2 H 1 1.6330 0.015 . 2 . . . . 10 ARG HB1 . 16643 1 62 . 1 1 10 10 ARG HB3 H 1 1.4760 0.015 . 2 . . . . 10 ARG HB2 . 16643 1 63 . 1 1 10 10 ARG CA C 13 53.4700 0.05 . 1 . . . . 10 ARG CA . 16643 1 64 . 1 1 10 10 ARG CB C 13 33.4180 0.05 . 1 . . . . 10 ARG CB . 16643 1 65 . 1 1 10 10 ARG N N 15 122.5770 0.05 . 1 . . . . 10 ARG N . 16643 1 66 . 1 1 11 11 THR H H 1 9.1370 0.015 . 1 . . . . 11 THR HN . 16643 1 67 . 1 1 11 11 THR HA H 1 4.4270 0.015 . 1 . . . . 11 THR HA . 16643 1 68 . 1 1 11 11 THR CA C 13 61.4210 0.05 . 1 . . . . 11 THR CA . 16643 1 69 . 1 1 11 11 THR CB C 13 69.6310 0.05 . 1 . . . . 11 THR CB . 16643 1 70 . 1 1 11 11 THR N N 15 117.9920 0.05 . 1 . . . . 11 THR N . 16643 1 71 . 1 1 12 12 LEU H H 1 9.2620 0.015 . 1 . . . . 12 LEU HN . 16643 1 72 . 1 1 12 12 LEU HA H 1 4.0840 0.015 . 1 . . . . 12 LEU HA . 16643 1 73 . 1 1 12 12 LEU HB2 H 1 0.8970 0.015 . 2 . . . . 12 LEU HB1 . 16643 1 74 . 1 1 12 12 LEU HB3 H 1 0.6070 0.015 . 2 . . . . 12 LEU HB2 . 16643 1 75 . 1 1 12 12 LEU CA C 13 55.3130 0.05 . 1 . . . . 12 LEU CA . 16643 1 76 . 1 1 12 12 LEU CB C 13 44.7040 0.05 . 1 . . . . 12 LEU CB . 16643 1 77 . 1 1 12 12 LEU N N 15 124.7040 0.05 . 1 . . . . 12 LEU N . 16643 1 78 . 1 1 13 13 PHE H H 1 7.4540 0.015 . 1 . . . . 13 PHE HN . 16643 1 79 . 1 1 13 13 PHE CA C 13 53.4570 0.05 . 1 . . . . 13 PHE CA . 16643 1 80 . 1 1 13 13 PHE CB C 13 41.9040 0.05 . 1 . . . . 13 PHE CB . 16643 1 81 . 1 1 13 13 PHE N N 15 114.8980 0.05 . 1 . . . . 13 PHE N . 16643 1 82 . 1 1 14 14 PRO HA H 1 4.7540 0.015 . 1 . . . . 14 PRO HA . 16643 1 83 . 1 1 14 14 PRO HB2 H 1 2.3840 0.015 . 2 . . . . 14 PRO HB1 . 16643 1 84 . 1 1 14 14 PRO HB3 H 1 2.0990 0.015 . 2 . . . . 14 PRO HB2 . 16643 1 85 . 1 1 14 14 PRO CA C 13 62.4420 0.05 . 1 . . . . 14 PRO CA . 16643 1 86 . 1 1 14 14 PRO CB C 13 32.6680 0.05 . 1 . . . . 14 PRO CB . 16643 1 87 . 1 1 15 15 TYR H H 1 8.2110 0.015 . 1 . . . . 15 TYR HN . 16643 1 88 . 1 1 15 15 TYR HA H 1 4.4090 0.015 . 1 . . . . 15 TYR HA . 16643 1 89 . 1 1 15 15 TYR HB2 H 1 2.4490 0.015 . 2 . . . . 15 TYR HB1 . 16643 1 90 . 1 1 15 15 TYR HB3 H 1 1.1860 0.015 . 2 . . . . 15 TYR HB2 . 16643 1 91 . 1 1 15 15 TYR CA C 13 58.4220 0.05 . 1 . . . . 15 TYR CA . 16643 1 92 . 1 1 15 15 TYR CB C 13 42.9230 0.05 . 1 . . . . 15 TYR CB . 16643 1 93 . 1 1 15 15 TYR N N 15 121.1420 0.05 . 1 . . . . 15 TYR N . 16643 1 94 . 1 1 16 16 THR H H 1 7.4260 0.015 . 1 . . . . 16 THR HN . 16643 1 95 . 1 1 16 16 THR HA H 1 4.1870 0.015 . 1 . . . . 16 THR HA . 16643 1 96 . 1 1 16 16 THR HB H 1 3.6420 0.015 . 1 . . . . 16 THR HB . 16643 1 97 . 1 1 16 16 THR CA C 13 60.9590 0.05 . 1 . . . . 16 THR CA . 16643 1 98 . 1 1 16 16 THR CB C 13 69.3780 0.05 . 1 . . . . 16 THR CB . 16643 1 99 . 1 1 16 16 THR N N 15 123.8870 0.05 . 1 . . . . 16 THR N . 16643 1 100 . 1 1 17 17 GLY H H 1 8.2560 0.015 . 1 . . . . 17 GLY HN . 16643 1 101 . 1 1 17 17 GLY HA2 H 1 4.1370 0.015 . 2 . . . . 17 GLY HA1 . 16643 1 102 . 1 1 17 17 GLY HA3 H 1 3.4540 0.015 . 2 . . . . 17 GLY HA2 . 16643 1 103 . 1 1 17 17 GLY CA C 13 46.3580 0.05 . 1 . . . . 17 GLY CA . 16643 1 104 . 1 1 17 17 GLY N N 15 115.1920 0.05 . 1 . . . . 17 GLY N . 16643 1 105 . 1 1 18 18 THR H H 1 9.0260 0.015 . 1 . . . . 18 THR HN . 16643 1 106 . 1 1 18 18 THR HA H 1 4.2170 0.015 . 1 . . . . 18 THR HA . 16643 1 107 . 1 1 18 18 THR CA C 13 62.6700 0.05 . 1 . . . . 18 THR CA . 16643 1 108 . 1 1 18 18 THR CB C 13 69.8800 0.05 . 1 . . . . 18 THR CB . 16643 1 109 . 1 1 18 18 THR N N 15 115.3880 0.05 . 1 . . . . 18 THR N . 16643 1 110 . 1 1 19 19 ASN H H 1 7.6150 0.015 . 1 . . . . 19 ASN HN . 16643 1 111 . 1 1 19 19 ASN HA H 1 4.7160 0.015 . 1 . . . . 19 ASN HA . 16643 1 112 . 1 1 19 19 ASN HB2 H 1 2.9150 0.015 . 2 . . . . 19 ASN HB1 . 16643 1 113 . 1 1 19 19 ASN HB3 H 1 2.9150 0.015 . 2 . . . . 19 ASN HB2 . 16643 1 114 . 1 1 19 19 ASN CA C 13 52.2140 0.05 . 1 . . . . 19 ASN CA . 16643 1 115 . 1 1 19 19 ASN CB C 13 40.2590 0.05 . 1 . . . . 19 ASN CB . 16643 1 116 . 1 1 19 19 ASN N N 15 115.9150 0.05 . 1 . . . . 19 ASN N . 16643 1 117 . 1 1 20 20 GLU H H 1 8.9220 0.015 . 1 . . . . 20 GLU HN . 16643 1 118 . 1 1 20 20 GLU HA H 1 4.1760 0.015 . 1 . . . . 20 GLU HA . 16643 1 119 . 1 1 20 20 GLU HB2 H 1 2.1460 0.015 . 2 . . . . 20 GLU HB1 . 16643 1 120 . 1 1 20 20 GLU HB3 H 1 2.0660 0.015 . 2 . . . . 20 GLU HB2 . 16643 1 121 . 1 1 20 20 GLU CA C 13 58.7040 0.05 . 1 . . . . 20 GLU CA . 16643 1 122 . 1 1 20 20 GLU CB C 13 29.5430 0.05 . 1 . . . . 20 GLU CB . 16643 1 123 . 1 1 20 20 GLU N N 15 118.0720 0.05 . 1 . . . . 20 GLU N . 16643 1 124 . 1 1 21 21 ASP H H 1 8.4860 0.015 . 1 . . . . 21 ASP HN . 16643 1 125 . 1 1 21 21 ASP HA H 1 4.8120 0.015 . 1 . . . . 21 ASP HA . 16643 1 126 . 1 1 21 21 ASP HB2 H 1 2.7850 0.015 . 2 . . . . 21 ASP HB1 . 16643 1 127 . 1 1 21 21 ASP HB3 H 1 2.7850 0.015 . 2 . . . . 21 ASP HB2 . 16643 1 128 . 1 1 21 21 ASP CA C 13 54.7520 0.05 . 1 . . . . 21 ASP CA . 16643 1 129 . 1 1 21 21 ASP CB C 13 40.8290 0.05 . 1 . . . . 21 ASP CB . 16643 1 130 . 1 1 21 21 ASP N N 15 117.7660 0.05 . 1 . . . . 21 ASP N . 16643 1 131 . 1 1 22 22 GLU H H 1 7.5670 0.015 . 1 . . . . 22 GLU HN . 16643 1 132 . 1 1 22 22 GLU HA H 1 5.2110 0.015 . 1 . . . . 22 GLU HA . 16643 1 133 . 1 1 22 22 GLU HB2 H 1 2.6440 0.015 . 2 . . . . 22 GLU HB1 . 16643 1 134 . 1 1 22 22 GLU HB3 H 1 2.0550 0.015 . 2 . . . . 22 GLU HB2 . 16643 1 135 . 1 1 22 22 GLU CA C 13 54.8920 0.05 . 1 . . . . 22 GLU CA . 16643 1 136 . 1 1 22 22 GLU CB C 13 33.2990 0.05 . 1 . . . . 22 GLU CB . 16643 1 137 . 1 1 22 22 GLU N N 15 118.9110 0.05 . 1 . . . . 22 GLU N . 16643 1 138 . 1 1 23 23 LEU H H 1 8.5280 0.015 . 1 . . . . 23 LEU HN . 16643 1 139 . 1 1 23 23 LEU HA H 1 4.4940 0.015 . 1 . . . . 23 LEU HA . 16643 1 140 . 1 1 23 23 LEU HB2 H 1 1.6480 0.015 . 2 . . . . 23 LEU HB1 . 16643 1 141 . 1 1 23 23 LEU HB3 H 1 1.6480 0.015 . 2 . . . . 23 LEU HB2 . 16643 1 142 . 1 1 23 23 LEU CA C 13 54.6060 0.05 . 1 . . . . 23 LEU CA . 16643 1 143 . 1 1 23 23 LEU CB C 13 44.9300 0.05 . 1 . . . . 23 LEU CB . 16643 1 144 . 1 1 23 23 LEU N N 15 121.9030 0.05 . 1 . . . . 23 LEU N . 16643 1 145 . 1 1 24 24 THR H H 1 7.4330 0.015 . 1 . . . . 24 THR HN . 16643 1 146 . 1 1 24 24 THR HA H 1 4.7150 0.015 . 1 . . . . 24 THR HA . 16643 1 147 . 1 1 24 24 THR HB H 1 3.9300 0.015 . 1 . . . . 24 THR HB . 16643 1 148 . 1 1 24 24 THR CA C 13 61.5390 0.05 . 1 . . . . 24 THR CA . 16643 1 149 . 1 1 24 24 THR CB C 13 72.1840 0.05 . 1 . . . . 24 THR CB . 16643 1 150 . 1 1 24 24 THR N N 15 113.4450 0.05 . 1 . . . . 24 THR N . 16643 1 151 . 1 1 25 25 PHE H H 1 8.7920 0.015 . 1 . . . . 25 PHE HN . 16643 1 152 . 1 1 25 25 PHE HA H 1 5.0670 0.015 . 1 . . . . 25 PHE HA . 16643 1 153 . 1 1 25 25 PHE HB2 H 1 3.3470 0.015 . 2 . . . . 25 PHE HB1 . 16643 1 154 . 1 1 25 25 PHE HB3 H 1 3.1390 0.015 . 2 . . . . 25 PHE HB2 . 16643 1 155 . 1 1 25 25 PHE CA C 13 55.1690 0.05 . 1 . . . . 25 PHE CA . 16643 1 156 . 1 1 25 25 PHE CB C 13 40.4690 0.05 . 1 . . . . 25 PHE CB . 16643 1 157 . 1 1 25 25 PHE N N 15 119.9970 0.05 . 1 . . . . 25 PHE N . 16643 1 158 . 1 1 26 26 ARG H H 1 9.6470 0.015 . 1 . . . . 26 ARG HN . 16643 1 159 . 1 1 26 26 ARG HA H 1 4.6630 0.015 . 1 . . . . 26 ARG HA . 16643 1 160 . 1 1 26 26 ARG HB2 H 1 2.0590 0.015 . 2 . . . . 26 ARG HB1 . 16643 1 161 . 1 1 26 26 ARG HB3 H 1 1.8400 0.015 . 2 . . . . 26 ARG HB2 . 16643 1 162 . 1 1 26 26 ARG CA C 13 54.2900 0.05 . 1 . . . . 26 ARG CA . 16643 1 163 . 1 1 26 26 ARG CB C 13 31.6070 0.05 . 1 . . . . 26 ARG CB . 16643 1 164 . 1 1 26 26 ARG N N 15 121.1910 0.05 . 1 . . . . 26 ARG N . 16643 1 165 . 1 1 27 27 GLU H H 1 9.3390 0.015 . 1 . . . . 27 GLU HN . 16643 1 166 . 1 1 27 27 GLU HA H 1 3.6850 0.015 . 1 . . . . 27 GLU HA . 16643 1 167 . 1 1 27 27 GLU HB2 H 1 1.8120 0.015 . 2 . . . . 27 GLU HB1 . 16643 1 168 . 1 1 27 27 GLU HB3 H 1 1.6580 0.015 . 2 . . . . 27 GLU HB2 . 16643 1 169 . 1 1 27 27 GLU CA C 13 57.7820 0.05 . 1 . . . . 27 GLU CA . 16643 1 170 . 1 1 27 27 GLU CB C 13 29.4500 0.05 . 1 . . . . 27 GLU CB . 16643 1 171 . 1 1 27 27 GLU N N 15 121.5950 0.05 . 1 . . . . 27 GLU N . 16643 1 172 . 1 1 28 28 GLY H H 1 8.1540 0.015 . 1 . . . . 28 GLY HN . 16643 1 173 . 1 1 28 28 GLY HA2 H 1 4.0450 0.015 . 2 . . . . 28 GLY HA1 . 16643 1 174 . 1 1 28 28 GLY HA3 H 1 3.4820 0.015 . 2 . . . . 28 GLY HA2 . 16643 1 175 . 1 1 28 28 GLY CA C 13 45.9540 0.05 . 1 . . . . 28 GLY CA . 16643 1 176 . 1 1 28 28 GLY N N 15 112.8940 0.05 . 1 . . . . 28 GLY N . 16643 1 177 . 1 1 29 29 GLU H H 1 8.0010 0.015 . 1 . . . . 29 GLU HN . 16643 1 178 . 1 1 29 29 GLU HA H 1 4.4320 0.015 . 1 . . . . 29 GLU HA . 16643 1 179 . 1 1 29 29 GLU HB2 H 1 1.9630 0.015 . 2 . . . . 29 GLU HB1 . 16643 1 180 . 1 1 29 29 GLU HB3 H 1 1.7490 0.015 . 2 . . . . 29 GLU HB2 . 16643 1 181 . 1 1 29 29 GLU CA C 13 56.6370 0.05 . 1 . . . . 29 GLU CA . 16643 1 182 . 1 1 29 29 GLU CB C 13 31.2270 0.05 . 1 . . . . 29 GLU CB . 16643 1 183 . 1 1 29 29 GLU N N 15 120.4380 0.05 . 1 . . . . 29 GLU N . 16643 1 184 . 1 1 30 30 ILE H H 1 8.4390 0.015 . 1 . . . . 30 ILE HN . 16643 1 185 . 1 1 30 30 ILE HA H 1 4.9130 0.015 . 1 . . . . 30 ILE HA . 16643 1 186 . 1 1 30 30 ILE HB H 1 1.8650 0.015 . 1 . . . . 30 ILE HB . 16643 1 187 . 1 1 30 30 ILE CA C 13 59.0640 0.05 . 1 . . . . 30 ILE CA . 16643 1 188 . 1 1 30 30 ILE CB C 13 37.1210 0.05 . 1 . . . . 30 ILE CB . 16643 1 189 . 1 1 30 30 ILE N N 15 121.1900 0.05 . 1 . . . . 30 ILE N . 16643 1 190 . 1 1 31 31 ILE H H 1 9.0090 0.015 . 1 . . . . 31 ILE HN . 16643 1 191 . 1 1 31 31 ILE HA H 1 4.2360 0.015 . 1 . . . . 31 ILE HA . 16643 1 192 . 1 1 31 31 ILE HB H 1 1.5160 0.015 . 1 . . . . 31 ILE HB . 16643 1 193 . 1 1 31 31 ILE CA C 13 59.9290 0.05 . 1 . . . . 31 ILE CA . 16643 1 194 . 1 1 31 31 ILE CB C 13 41.3650 0.05 . 1 . . . . 31 ILE CB . 16643 1 195 . 1 1 31 31 ILE N N 15 127.5040 0.05 . 1 . . . . 31 ILE N . 16643 1 196 . 1 1 32 32 HIS H H 1 8.5330 0.015 . 1 . . . . 32 HIS HN . 16643 1 197 . 1 1 32 32 HIS HA H 1 4.8160 0.015 . 1 . . . . 32 HIS HA . 16643 1 198 . 1 1 32 32 HIS HB2 H 1 3.5370 0.015 . 2 . . . . 32 HIS HB1 . 16643 1 199 . 1 1 32 32 HIS HB3 H 1 3.3080 0.015 . 2 . . . . 32 HIS HB2 . 16643 1 200 . 1 1 32 32 HIS CA C 13 53.7240 0.05 . 1 . . . . 32 HIS CA . 16643 1 201 . 1 1 32 32 HIS CB C 13 28.9900 0.05 . 1 . . . . 32 HIS CB . 16643 1 202 . 1 1 32 32 HIS N N 15 125.9530 0.05 . 1 . . . . 32 HIS N . 16643 1 203 . 1 1 33 33 LEU H H 1 8.7790 0.015 . 1 . . . . 33 LEU HN . 16643 1 204 . 1 1 33 33 LEU HA H 1 4.1040 0.015 . 1 . . . . 33 LEU HA . 16643 1 205 . 1 1 33 33 LEU HB2 H 1 1.4030 0.015 . 2 . . . . 33 LEU HB1 . 16643 1 206 . 1 1 33 33 LEU HB3 H 1 1.1510 0.015 . 2 . . . . 33 LEU HB2 . 16643 1 207 . 1 1 33 33 LEU CA C 13 55.6790 0.05 . 1 . . . . 33 LEU CA . 16643 1 208 . 1 1 33 33 LEU CB C 13 43.0310 0.05 . 1 . . . . 33 LEU CB . 16643 1 209 . 1 1 33 33 LEU N N 15 133.7920 0.05 . 1 . . . . 33 LEU N . 16643 1 210 . 1 1 34 34 ILE H H 1 8.7580 0.015 . 1 . . . . 34 ILE HN . 16643 1 211 . 1 1 34 34 ILE HA H 1 3.7970 0.015 . 1 . . . . 34 ILE HA . 16643 1 212 . 1 1 34 34 ILE HB H 1 1.1860 0.015 . 1 . . . . 34 ILE HB . 16643 1 213 . 1 1 34 34 ILE CA C 13 62.0230 0.05 . 1 . . . . 34 ILE CA . 16643 1 214 . 1 1 34 34 ILE CB C 13 39.1130 0.05 . 1 . . . . 34 ILE CB . 16643 1 215 . 1 1 34 34 ILE N N 15 126.7010 0.05 . 1 . . . . 34 ILE N . 16643 1 216 . 1 1 35 35 SER H H 1 7.6630 0.015 . 1 . . . . 35 SER HN . 16643 1 217 . 1 1 35 35 SER HA H 1 4.3840 0.015 . 1 . . . . 35 SER HA . 16643 1 218 . 1 1 35 35 SER HB2 H 1 3.8910 0.015 . 2 . . . . 35 SER HB1 . 16643 1 219 . 1 1 35 35 SER HB3 H 1 3.3080 0.015 . 2 . . . . 35 SER HB2 . 16643 1 220 . 1 1 35 35 SER CA C 13 57.5770 0.05 . 1 . . . . 35 SER CA . 16643 1 221 . 1 1 35 35 SER CB C 13 64.9680 0.05 . 1 . . . . 35 SER CB . 16643 1 222 . 1 1 35 35 SER N N 15 109.5910 0.05 . 1 . . . . 35 SER N . 16643 1 223 . 1 1 36 36 LYS H H 1 8.7370 0.015 . 1 . . . . 36 LYS HN . 16643 1 224 . 1 1 36 36 LYS HA H 1 4.1900 0.015 . 1 . . . . 36 LYS HA . 16643 1 225 . 1 1 36 36 LYS HB2 H 1 1.8000 0.015 . 2 . . . . 36 LYS HB1 . 16643 1 226 . 1 1 36 36 LYS HB3 H 1 1.3550 0.015 . 2 . . . . 36 LYS HB2 . 16643 1 227 . 1 1 36 36 LYS CA C 13 56.3270 0.05 . 1 . . . . 36 LYS CA . 16643 1 228 . 1 1 36 36 LYS CB C 13 32.9620 0.05 . 1 . . . . 36 LYS CB . 16643 1 229 . 1 1 36 36 LYS N N 15 124.9790 0.05 . 1 . . . . 36 LYS N . 16643 1 230 . 1 1 37 37 GLU H H 1 8.2860 0.015 . 1 . . . . 37 GLU HN . 16643 1 231 . 1 1 37 37 GLU HA H 1 4.8130 0.015 . 1 . . . . 37 GLU HA . 16643 1 232 . 1 1 37 37 GLU HB2 H 1 1.9770 0.015 . 2 . . . . 37 GLU HB1 . 16643 1 233 . 1 1 37 37 GLU HB3 H 1 1.8400 0.015 . 2 . . . . 37 GLU HB2 . 16643 1 234 . 1 1 37 37 GLU CA C 13 55.0960 0.05 . 1 . . . . 37 GLU CA . 16643 1 235 . 1 1 37 37 GLU CB C 13 30.4150 0.05 . 1 . . . . 37 GLU CB . 16643 1 236 . 1 1 37 37 GLU N N 15 120.3770 0.05 . 1 . . . . 37 GLU N . 16643 1 237 . 1 1 38 38 THR H H 1 8.9550 0.015 . 1 . . . . 38 THR HN . 16643 1 238 . 1 1 38 38 THR HA H 1 4.3990 0.015 . 1 . . . . 38 THR HA . 16643 1 239 . 1 1 38 38 THR CA C 13 61.3020 0.05 . 1 . . . . 38 THR CA . 16643 1 240 . 1 1 38 38 THR CB C 13 70.4340 0.05 . 1 . . . . 38 THR CB . 16643 1 241 . 1 1 38 38 THR N N 15 114.4830 0.05 . 1 . . . . 38 THR N . 16643 1 242 . 1 1 39 39 GLY H H 1 8.6120 0.015 . 1 . . . . 39 GLY HN . 16643 1 243 . 1 1 39 39 GLY HA2 H 1 4.3010 0.015 . 2 . . . . 39 GLY HA1 . 16643 1 244 . 1 1 39 39 GLY HA3 H 1 3.6360 0.015 . 2 . . . . 39 GLY HA2 . 16643 1 245 . 1 1 39 39 GLY CA C 13 45.1510 0.05 . 1 . . . . 39 GLY CA . 16643 1 246 . 1 1 39 39 GLY N N 15 111.1410 0.05 . 1 . . . . 39 GLY N . 16643 1 247 . 1 1 40 40 GLU H H 1 7.5990 0.015 . 1 . . . . 40 GLU HN . 16643 1 248 . 1 1 40 40 GLU HA H 1 4.5580 0.015 . 1 . . . . 40 GLU HA . 16643 1 249 . 1 1 40 40 GLU HB2 H 1 1.8080 0.015 . 2 . . . . 40 GLU HB1 . 16643 1 250 . 1 1 40 40 GLU HB3 H 1 1.6420 0.015 . 2 . . . . 40 GLU HB2 . 16643 1 251 . 1 1 40 40 GLU CA C 13 54.5320 0.05 . 1 . . . . 40 GLU CA . 16643 1 252 . 1 1 40 40 GLU CB C 13 31.4080 0.05 . 1 . . . . 40 GLU CB . 16643 1 253 . 1 1 40 40 GLU N N 15 120.2450 0.05 . 1 . . . . 40 GLU N . 16643 1 254 . 1 1 41 41 ALA H H 1 8.7140 0.015 . 1 . . . . 41 ALA HN . 16643 1 255 . 1 1 41 41 ALA HA H 1 4.2900 0.015 . 1 . . . . 41 ALA HA . 16643 1 256 . 1 1 41 41 ALA HB1 H 1 1.4310 0.015 . 1 . . . . 41 ALA HB1 . 16643 1 257 . 1 1 41 41 ALA HB2 H 1 1.4310 0.015 . 1 . . . . 41 ALA HB1 . 16643 1 258 . 1 1 41 41 ALA HB3 H 1 1.4310 0.015 . 1 . . . . 41 ALA HB1 . 16643 1 259 . 1 1 41 41 ALA CA C 13 53.8300 0.05 . 1 . . . . 41 ALA CA . 16643 1 260 . 1 1 41 41 ALA CB C 13 18.2680 0.05 . 1 . . . . 41 ALA CB . 16643 1 261 . 1 1 41 41 ALA N N 15 129.5050 0.05 . 1 . . . . 41 ALA N . 16643 1 262 . 1 1 42 42 GLY H H 1 8.8700 0.015 . 1 . . . . 42 GLY HN . 16643 1 263 . 1 1 42 42 GLY HA2 H 1 4.0340 0.015 . 2 . . . . 42 GLY HA1 . 16643 1 264 . 1 1 42 42 GLY HA3 H 1 3.6300 0.015 . 2 . . . . 42 GLY HA2 . 16643 1 265 . 1 1 42 42 GLY CA C 13 45.1270 0.05 . 1 . . . . 42 GLY CA . 16643 1 266 . 1 1 42 42 GLY N N 15 109.3890 0.05 . 1 . . . . 42 GLY N . 16643 1 267 . 1 1 43 43 TRP H H 1 7.4340 0.015 . 1 . . . . 43 TRP HN . 16643 1 268 . 1 1 43 43 TRP HA H 1 4.7880 0.015 . 1 . . . . 43 TRP HA . 16643 1 269 . 1 1 43 43 TRP HB2 H 1 2.8620 0.015 . 2 . . . . 43 TRP HB1 . 16643 1 270 . 1 1 43 43 TRP HB3 H 1 2.8620 0.015 . 2 . . . . 43 TRP HB2 . 16643 1 271 . 1 1 43 43 TRP CA C 13 56.4570 0.05 . 1 . . . . 43 TRP CA . 16643 1 272 . 1 1 43 43 TRP CB C 13 31.3310 0.05 . 1 . . . . 43 TRP CB . 16643 1 273 . 1 1 43 43 TRP N N 15 119.9220 0.05 . 1 . . . . 43 TRP N . 16643 1 274 . 1 1 44 44 TRP H H 1 8.6630 0.015 . 1 . . . . 44 TRP HN . 16643 1 275 . 1 1 44 44 TRP HA H 1 5.0690 0.015 . 1 . . . . 44 TRP HA . 16643 1 276 . 1 1 44 44 TRP HB2 H 1 2.6370 0.015 . 2 . . . . 44 TRP HB1 . 16643 1 277 . 1 1 44 44 TRP HB3 H 1 1.8720 0.015 . 2 . . . . 44 TRP HB2 . 16643 1 278 . 1 1 44 44 TRP CA C 13 52.9150 0.05 . 1 . . . . 44 TRP CA . 16643 1 279 . 1 1 44 44 TRP CB C 13 33.7470 0.05 . 1 . . . . 44 TRP CB . 16643 1 280 . 1 1 44 44 TRP N N 15 123.5380 0.05 . 1 . . . . 44 TRP N . 16643 1 281 . 1 1 45 45 LYS H H 1 8.7640 0.015 . 1 . . . . 45 LYS HN . 16643 1 282 . 1 1 45 45 LYS HA H 1 5.2140 0.015 . 1 . . . . 45 LYS HA . 16643 1 283 . 1 1 45 45 LYS HB2 H 1 1.6880 0.015 . 2 . . . . 45 LYS HB1 . 16643 1 284 . 1 1 45 45 LYS HB3 H 1 1.5480 0.015 . 2 . . . . 45 LYS HB2 . 16643 1 285 . 1 1 45 45 LYS CA C 13 54.8660 0.05 . 1 . . . . 45 LYS CA . 16643 1 286 . 1 1 45 45 LYS CB C 13 35.6530 0.05 . 1 . . . . 45 LYS CB . 16643 1 287 . 1 1 45 45 LYS N N 15 117.9310 0.05 . 1 . . . . 45 LYS N . 16643 1 288 . 1 1 46 46 GLY H H 1 9.5710 0.015 . 1 . . . . 46 GLY HN . 16643 1 289 . 1 1 46 46 GLY HA2 H 1 5.0380 0.015 . 2 . . . . 46 GLY HA1 . 16643 1 290 . 1 1 46 46 GLY HA3 H 1 3.7580 0.015 . 2 . . . . 46 GLY HA2 . 16643 1 291 . 1 1 46 46 GLY CA C 13 45.5130 0.05 . 1 . . . . 46 GLY CA . 16643 1 292 . 1 1 46 46 GLY N N 15 114.4570 0.05 . 1 . . . . 46 GLY N . 16643 1 293 . 1 1 47 47 GLU H H 1 8.9410 0.015 . 1 . . . . 47 GLU HN . 16643 1 294 . 1 1 47 47 GLU HA H 1 5.6240 0.015 . 1 . . . . 47 GLU HA . 16643 1 295 . 1 1 47 47 GLU HB2 H 1 2.0910 0.015 . 2 . . . . 47 GLU HB1 . 16643 1 296 . 1 1 47 47 GLU HB3 H 1 1.9450 0.015 . 2 . . . . 47 GLU HB2 . 16643 1 297 . 1 1 47 47 GLU CA C 13 54.3990 0.05 . 1 . . . . 47 GLU CA . 16643 1 298 . 1 1 47 47 GLU CB C 13 33.0040 0.05 . 1 . . . . 47 GLU CB . 16643 1 299 . 1 1 47 47 GLU N N 15 119.3970 0.05 . 1 . . . . 47 GLU N . 16643 1 300 . 1 1 48 48 LEU H H 1 9.0430 0.015 . 1 . . . . 48 LEU HN . 16643 1 301 . 1 1 48 48 LEU HA H 1 4.7680 0.015 . 1 . . . . 48 LEU HA . 16643 1 302 . 1 1 48 48 LEU HB2 H 1 1.8870 0.015 . 2 . . . . 48 LEU HB1 . 16643 1 303 . 1 1 48 48 LEU HB3 H 1 1.3700 0.015 . 2 . . . . 48 LEU HB2 . 16643 1 304 . 1 1 48 48 LEU CA C 13 54.3570 0.05 . 1 . . . . 48 LEU CA . 16643 1 305 . 1 1 48 48 LEU CB C 13 46.3450 0.05 . 1 . . . . 48 LEU CB . 16643 1 306 . 1 1 48 48 LEU N N 15 127.4300 0.05 . 1 . . . . 48 LEU N . 16643 1 307 . 1 1 49 49 ASN H H 1 9.8750 0.015 . 1 . . . . 49 ASN HN . 16643 1 308 . 1 1 49 49 ASN HA H 1 4.4920 0.015 . 1 . . . . 49 ASN HA . 16643 1 309 . 1 1 49 49 ASN HB2 H 1 3.1380 0.015 . 2 . . . . 49 ASN HB1 . 16643 1 310 . 1 1 49 49 ASN HB3 H 1 2.8490 0.015 . 2 . . . . 49 ASN HB2 . 16643 1 311 . 1 1 49 49 ASN CA C 13 54.4440 0.05 . 1 . . . . 49 ASN CA . 16643 1 312 . 1 1 49 49 ASN CB C 13 37.7590 0.05 . 1 . . . . 49 ASN CB . 16643 1 313 . 1 1 49 49 ASN N N 15 127.5380 0.05 . 1 . . . . 49 ASN N . 16643 1 314 . 1 1 50 50 GLY H H 1 9.3340 0.015 . 1 . . . . 50 GLY HN . 16643 1 315 . 1 1 50 50 GLY HA2 H 1 4.2600 0.015 . 2 . . . . 50 GLY HA1 . 16643 1 316 . 1 1 50 50 GLY HA3 H 1 3.6670 0.015 . 2 . . . . 50 GLY HA2 . 16643 1 317 . 1 1 50 50 GLY CA C 13 45.5110 0.05 . 1 . . . . 50 GLY CA . 16643 1 318 . 1 1 50 50 GLY N N 15 105.2150 0.05 . 1 . . . . 50 GLY N . 16643 1 319 . 1 1 51 51 LYS H H 1 7.8270 0.015 . 1 . . . . 51 LYS HN . 16643 1 320 . 1 1 51 51 LYS HA H 1 4.6860 0.015 . 1 . . . . 51 LYS HA . 16643 1 321 . 1 1 51 51 LYS HB2 H 1 1.9690 0.015 . 2 . . . . 51 LYS HB1 . 16643 1 322 . 1 1 51 51 LYS HB3 H 1 1.8330 0.015 . 2 . . . . 51 LYS HB2 . 16643 1 323 . 1 1 51 51 LYS CA C 13 54.9040 0.05 . 1 . . . . 51 LYS CA . 16643 1 324 . 1 1 51 51 LYS CB C 13 34.7250 0.05 . 1 . . . . 51 LYS CB . 16643 1 325 . 1 1 51 51 LYS N N 15 122.4550 0.05 . 1 . . . . 51 LYS N . 16643 1 326 . 1 1 52 52 GLU H H 1 8.6540 0.015 . 1 . . . . 52 GLU HN . 16643 1 327 . 1 1 52 52 GLU HA H 1 5.5230 0.015 . 1 . . . . 52 GLU HA . 16643 1 328 . 1 1 52 52 GLU HB2 H 1 1.9610 0.015 . 2 . . . . 52 GLU HB1 . 16643 1 329 . 1 1 52 52 GLU HB3 H 1 1.8430 0.015 . 2 . . . . 52 GLU HB2 . 16643 1 330 . 1 1 52 52 GLU CA C 13 54.1570 0.05 . 1 . . . . 52 GLU CA . 16643 1 331 . 1 1 52 52 GLU CB C 13 32.4350 0.05 . 1 . . . . 52 GLU CB . 16643 1 332 . 1 1 52 52 GLU N N 15 122.9070 0.05 . 1 . . . . 52 GLU N . 16643 1 333 . 1 1 53 53 GLY H H 1 9.0700 0.015 . 1 . . . . 53 GLY HN . 16643 1 334 . 1 1 53 53 GLY HA2 H 1 4.4930 0.015 . 2 . . . . 53 GLY HA1 . 16643 1 335 . 1 1 53 53 GLY HA3 H 1 3.9470 0.015 . 2 . . . . 53 GLY HA2 . 16643 1 336 . 1 1 53 53 GLY CA C 13 45.8480 0.05 . 1 . . . . 53 GLY CA . 16643 1 337 . 1 1 53 53 GLY N N 15 109.4690 0.05 . 1 . . . . 53 GLY N . 16643 1 338 . 1 1 54 54 VAL H H 1 8.9390 0.015 . 1 . . . . 54 VAL HN . 16643 1 339 . 1 1 54 54 VAL HA H 1 6.1750 0.015 . 1 . . . . 54 VAL HA . 16643 1 340 . 1 1 54 54 VAL HB H 1 2.5160 0.015 . 1 . . . . 54 VAL HB . 16643 1 341 . 1 1 54 54 VAL CA C 13 59.7810 0.05 . 1 . . . . 54 VAL CA . 16643 1 342 . 1 1 54 54 VAL CB C 13 34.9310 0.05 . 1 . . . . 54 VAL CB . 16643 1 343 . 1 1 54 54 VAL N N 15 112.2570 0.05 . 1 . . . . 54 VAL N . 16643 1 344 . 1 1 55 55 PHE H H 1 8.9330 0.015 . 1 . . . . 55 PHE HN . 16643 1 345 . 1 1 55 55 PHE CA C 13 55.1840 0.05 . 1 . . . . 55 PHE CA . 16643 1 346 . 1 1 55 55 PHE CB C 13 38.3570 0.05 . 1 . . . . 55 PHE CB . 16643 1 347 . 1 1 55 55 PHE N N 15 115.6820 0.05 . 1 . . . . 55 PHE N . 16643 1 348 . 1 1 56 56 PRO HA H 1 3.5410 0.015 . 1 . . . . 56 PRO HA . 16643 1 349 . 1 1 56 56 PRO HB2 H 1 1.3980 0.015 . 2 . . . . 56 PRO HB1 . 16643 1 350 . 1 1 56 56 PRO CA C 13 61.7820 0.05 . 1 . . . . 56 PRO CA . 16643 1 351 . 1 1 56 56 PRO CB C 13 31.0580 0.05 . 1 . . . . 56 PRO CB . 16643 1 352 . 1 1 57 57 ASP H H 1 7.8350 0.015 . 1 . . . . 57 ASP HN . 16643 1 353 . 1 1 57 57 ASP HA H 1 2.5930 0.015 . 1 . . . . 57 ASP HA . 16643 1 354 . 1 1 57 57 ASP HB2 H 1 1.2500 0.015 . 2 . . . . 57 ASP HB1 . 16643 1 355 . 1 1 57 57 ASP HB3 H 1 0.8220 0.015 . 2 . . . . 57 ASP HB2 . 16643 1 356 . 1 1 57 57 ASP CA C 13 55.4380 0.05 . 1 . . . . 57 ASP CA . 16643 1 357 . 1 1 57 57 ASP CB C 13 37.1490 0.05 . 1 . . . . 57 ASP CB . 16643 1 358 . 1 1 57 57 ASP N N 15 122.4180 0.05 . 1 . . . . 57 ASP N . 16643 1 359 . 1 1 58 58 ASN H H 1 7.8680 0.015 . 1 . . . . 58 ASN HN . 16643 1 360 . 1 1 58 58 ASN HA H 1 4.5610 0.015 . 1 . . . . 58 ASN HA . 16643 1 361 . 1 1 58 58 ASN HB2 H 1 2.8780 0.015 . 2 . . . . 58 ASN HB1 . 16643 1 362 . 1 1 58 58 ASN HB3 H 1 2.5510 0.015 . 2 . . . . 58 ASN HB2 . 16643 1 363 . 1 1 58 58 ASN CA C 13 52.8380 0.05 . 1 . . . . 58 ASN CA . 16643 1 364 . 1 1 58 58 ASN CB C 13 36.5940 0.05 . 1 . . . . 58 ASN CB . 16643 1 365 . 1 1 58 58 ASN N N 15 113.7820 0.05 . 1 . . . . 58 ASN N . 16643 1 366 . 1 1 59 59 PHE H H 1 7.9180 0.015 . 1 . . . . 59 PHE HN . 16643 1 367 . 1 1 59 59 PHE HA H 1 4.7280 0.015 . 1 . . . . 59 PHE HA . 16643 1 368 . 1 1 59 59 PHE HB2 H 1 3.7290 0.015 . 2 . . . . 59 PHE HB1 . 16643 1 369 . 1 1 59 59 PHE HB3 H 1 3.3590 0.015 . 2 . . . . 59 PHE HB2 . 16643 1 370 . 1 1 59 59 PHE CA C 13 58.3880 0.05 . 1 . . . . 59 PHE CA . 16643 1 371 . 1 1 59 59 PHE CB C 13 38.8170 0.05 . 1 . . . . 59 PHE CB . 16643 1 372 . 1 1 59 59 PHE N N 15 119.1500 0.05 . 1 . . . . 59 PHE N . 16643 1 373 . 1 1 60 60 ALA H H 1 7.8870 0.015 . 1 . . . . 60 ALA HN . 16643 1 374 . 1 1 60 60 ALA HA H 1 5.1340 0.015 . 1 . . . . 60 ALA HA . 16643 1 375 . 1 1 60 60 ALA HB1 H 1 1.1740 0.015 . 1 . . . . 60 ALA HB1 . 16643 1 376 . 1 1 60 60 ALA HB2 H 1 1.1740 0.015 . 1 . . . . 60 ALA HB1 . 16643 1 377 . 1 1 60 60 ALA HB3 H 1 1.1740 0.015 . 1 . . . . 60 ALA HB1 . 16643 1 378 . 1 1 60 60 ALA CA C 13 51.0410 0.05 . 1 . . . . 60 ALA CA . 16643 1 379 . 1 1 60 60 ALA CB C 13 24.5010 0.05 . 1 . . . . 60 ALA CB . 16643 1 380 . 1 1 60 60 ALA N N 15 122.1600 0.05 . 1 . . . . 60 ALA N . 16643 1 381 . 1 1 61 61 VAL H H 1 8.4790 0.015 . 1 . . . . 61 VAL HN . 16643 1 382 . 1 1 61 61 VAL HA H 1 4.7800 0.015 . 1 . . . . 61 VAL HA . 16643 1 383 . 1 1 61 61 VAL HB H 1 2.0310 0.015 . 1 . . . . 61 VAL HB . 16643 1 384 . 1 1 61 61 VAL CA C 13 59.0290 0.05 . 1 . . . . 61 VAL CA . 16643 1 385 . 1 1 61 61 VAL CB C 13 35.4240 0.05 . 1 . . . . 61 VAL CB . 16643 1 386 . 1 1 61 61 VAL N N 15 114.3550 0.05 . 1 . . . . 61 VAL N . 16643 1 387 . 1 1 62 62 GLN H H 1 9.3740 0.015 . 1 . . . . 62 GLN HN . 16643 1 388 . 1 1 62 62 GLN HA H 1 4.4750 0.015 . 1 . . . . 62 GLN HA . 16643 1 389 . 1 1 62 62 GLN HB2 H 1 2.1440 0.015 . 2 . . . . 62 GLN HB1 . 16643 1 390 . 1 1 62 62 GLN HB3 H 1 2.0280 0.015 . 2 . . . . 62 GLN HB2 . 16643 1 391 . 1 1 62 62 GLN CA C 13 57.9940 0.05 . 1 . . . . 62 GLN CA . 16643 1 392 . 1 1 62 62 GLN CB C 13 28.8550 0.05 . 1 . . . . 62 GLN CB . 16643 1 393 . 1 1 62 62 GLN N N 15 127.8550 0.05 . 1 . . . . 62 GLN N . 16643 1 394 . 1 1 63 63 ILE H H 1 8.5020 0.015 . 1 . . . . 63 ILE HN . 16643 1 395 . 1 1 63 63 ILE HA H 1 4.5140 0.015 . 1 . . . . 63 ILE HA . 16643 1 396 . 1 1 63 63 ILE HB H 1 1.9860 0.015 . 1 . . . . 63 ILE HB . 16643 1 397 . 1 1 63 63 ILE CA C 13 61.1490 0.05 . 1 . . . . 63 ILE CA . 16643 1 398 . 1 1 63 63 ILE CB C 13 39.7340 0.05 . 1 . . . . 63 ILE CB . 16643 1 399 . 1 1 63 63 ILE N N 15 122.3320 0.05 . 1 . . . . 63 ILE N . 16643 1 400 . 1 1 64 64 SER H H 1 8.0800 0.015 . 1 . . . . 64 SER HN . 16643 1 401 . 1 1 64 64 SER CA C 13 60.2070 0.05 . 1 . . . . 64 SER CA . 16643 1 402 . 1 1 64 64 SER CB C 13 64.9880 0.05 . 1 . . . . 64 SER CB . 16643 1 403 . 1 1 64 64 SER N N 15 124.6970 0.05 . 1 . . . . 64 SER N . 16643 1 stop_ save_