################################### # 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_HEPES _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_HEPES _Assigned_chem_shift_list.Entry_ID 28116 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_HEPES _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28116 1 2 '3D HNCO' . . . 28116 1 3 '3D HNCACB' . . . 28116 1 4 '3D BEST-TROSY-(H)N(COCA)NH' . . . 28116 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 28116 1 2 $NMRViewJ . . 28116 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 LYS C C 13 176.7490 0.1 . 1 . . . . . 23 LYS C . 28116 1 2 . 1 . 1 3 3 LYS H H 1 8.5920 0.02 . 1 . . . . . 24 LYS H . 28116 1 3 . 1 . 1 3 3 LYS C C 13 176.3790 0.1 . 1 . . . . . 24 LYS C . 28116 1 4 . 1 . 1 3 3 LYS CA C 13 56.1650 0.1 . 1 . . . . . 24 LYS CA . 28116 1 5 . 1 . 1 3 3 LYS CB C 13 33.1750 0.1 . 1 . . . . . 24 LYS CB . 28116 1 6 . 1 . 1 3 3 LYS N N 15 123.8350 0.1 . 1 . . . . . 24 LYS N . 28116 1 7 . 1 . 1 4 4 ARG H H 1 8.6220 0.02 . 1 . . . . . 25 ARG H . 28116 1 8 . 1 . 1 4 4 ARG CA C 13 53.8940 0.1 . 1 . . . . . 25 ARG CA . 28116 1 9 . 1 . 1 4 4 ARG CB C 13 30.1770 0.1 . 1 . . . . . 25 ARG CB . 28116 1 10 . 1 . 1 4 4 ARG N N 15 125.0460 0.1 . 1 . . . . . 25 ARG N . 28116 1 11 . 1 . 1 5 5 PRO C C 13 176.4900 0.1 . 1 . . . . . 26 PRO C . 28116 1 12 . 1 . 1 5 5 PRO CA C 13 62.6540 0.1 . 1 . . . . . 26 PRO CA . 28116 1 13 . 1 . 1 5 5 PRO CB C 13 32.4140 0.1 . 1 . . . . . 26 PRO CB . 28116 1 14 . 1 . 1 6 6 LYS H H 1 8.5090 0.02 . 1 . . . . . 27 LYS H . 28116 1 15 . 1 . 1 6 6 LYS CA C 13 54.2940 0.1 . 1 . . . . . 27 LYS CA . 28116 1 16 . 1 . 1 6 6 LYS CB C 13 32.4140 0.1 . 1 . . . . . 27 LYS CB . 28116 1 17 . 1 . 1 6 6 LYS N N 15 123.2710 0.1 . 1 . . . . . 27 LYS N . 28116 1 18 . 1 . 1 7 7 PRO C C 13 177.3580 0.1 . 1 . . . . . 28 PRO C . 28116 1 19 . 1 . 1 7 7 PRO CA C 13 63.2240 0.1 . 1 . . . . . 28 PRO CA . 28116 1 20 . 1 . 1 7 7 PRO CB C 13 32.1250 0.1 . 1 . . . . . 28 PRO CB . 28116 1 21 . 1 . 1 8 8 GLY H H 1 8.5310 0.02 . 1 . . . . . 29 GLY H . 28116 1 22 . 1 . 1 8 8 GLY C C 13 174.6600 0.1 . 1 . . . . . 29 GLY C . 28116 1 23 . 1 . 1 8 8 GLY CA C 13 45.2240 0.1 . 1 . . . . . 29 GLY CA . 28116 1 24 . 1 . 1 8 8 GLY N N 15 109.7470 0.1 . 1 . . . . . 29 GLY N . 28116 1 25 . 1 . 1 9 9 GLY H H 1 8.3130 0.02 . 1 . . . . . 30 GLY H . 28116 1 26 . 1 . 1 9 9 GLY C C 13 174.0340 0.1 . 1 . . . . . 30 GLY C . 28116 1 27 . 1 . 1 9 9 GLY CA C 13 45.1490 0.1 . 1 . . . . . 30 GLY CA . 28116 1 28 . 1 . 1 9 9 GLY N N 15 108.7490 0.1 . 1 . . . . . 30 GLY N . 28116 1 29 . 1 . 1 10 10 TRP H H 1 8.1250 0.02 . 1 . . . . . 31 TRP H . 28116 1 30 . 1 . 1 10 10 TRP HE1 H 1 10.1090 0.02 . 1 . . . . . 31 TRP HE1 . 28116 1 31 . 1 . 1 10 10 TRP C C 13 176.1060 0.1 . 1 . . . . . 31 TRP C . 28116 1 32 . 1 . 1 10 10 TRP CA C 13 57.5160 0.1 . 1 . . . . . 31 TRP CA . 28116 1 33 . 1 . 1 10 10 TRP CB C 13 29.4940 0.1 . 1 . . . . . 31 TRP CB . 28116 1 34 . 1 . 1 10 10 TRP N N 15 120.8360 0.1 . 1 . . . . . 31 TRP N . 28116 1 35 . 1 . 1 10 10 TRP NE1 N 15 129.4060 0.1 . 1 . . . . . 31 TRP NE1 . 28116 1 36 . 1 . 1 11 11 ASN H H 1 8.3010 0.02 . 1 . . . . . 32 ASN H . 28116 1 37 . 1 . 1 11 11 ASN HD21 H 1 7.4870 0.02 . 2 . . . . . 32 ASN HD21 . 28116 1 38 . 1 . 1 11 11 ASN HD22 H 1 6.8610 0.02 . 2 . . . . . 32 ASN HD22 . 28116 1 39 . 1 . 1 11 11 ASN C C 13 175.3330 0.1 . 1 . . . . . 32 ASN C . 28116 1 40 . 1 . 1 11 11 ASN CA C 13 52.9710 0.1 . 1 . . . . . 32 ASN CA . 28116 1 41 . 1 . 1 11 11 ASN CB C 13 38.4420 0.1 . 1 . . . . . 32 ASN CB . 28116 1 42 . 1 . 1 11 11 ASN CG C 13 177.1070 0.1 . 1 . . . . . 32 ASN CG . 28116 1 43 . 1 . 1 11 11 ASN N N 15 120.6150 0.1 . 1 . . . . . 32 ASN N . 28116 1 44 . 1 . 1 11 11 ASN ND2 N 15 112.8400 0.1 . 1 . . . . . 32 ASN ND2 . 28116 1 45 . 1 . 1 12 12 THR H H 1 8.0720 0.02 . 1 . . . . . 33 THR H . 28116 1 46 . 1 . 1 12 12 THR C C 13 175.3570 0.1 . 1 . . . . . 33 THR C . 28116 1 47 . 1 . 1 12 12 THR CA C 13 62.0170 0.1 . 1 . . . . . 33 THR CA . 28116 1 48 . 1 . 1 12 12 THR CB C 13 69.4430 0.1 . 1 . . . . . 33 THR CB . 28116 1 49 . 1 . 1 12 12 THR N N 15 113.6640 0.1 . 1 . . . . . 33 THR N . 28116 1 50 . 1 . 1 13 13 GLY H H 1 8.4870 0.02 . 1 . . . . . 34 GLY H . 28116 1 51 . 1 . 1 13 13 GLY C C 13 174.7810 0.1 . 1 . . . . . 34 GLY C . 28116 1 52 . 1 . 1 13 13 GLY CA C 13 45.4580 0.1 . 1 . . . . . 34 GLY CA . 28116 1 53 . 1 . 1 13 13 GLY N N 15 111.1610 0.1 . 1 . . . . . 34 GLY N . 28116 1 54 . 1 . 1 14 14 GLY H H 1 8.2940 0.02 . 1 . . . . . 35 GLY H . 28116 1 55 . 1 . 1 14 14 GLY C C 13 174.1990 0.1 . 1 . . . . . 35 GLY C . 28116 1 56 . 1 . 1 14 14 GLY CA C 13 45.1170 0.1 . 1 . . . . . 35 GLY CA . 28116 1 57 . 1 . 1 14 14 GLY N N 15 108.8840 0.1 . 1 . . . . . 35 GLY N . 28116 1 58 . 1 . 1 15 15 SER H H 1 8.2750 0.02 . 1 . . . . . 36 SER H . 28116 1 59 . 1 . 1 15 15 SER C C 13 174.4110 0.1 . 1 . . . . . 36 SER C . 28116 1 60 . 1 . 1 15 15 SER CA C 13 58.2660 0.1 . 1 . . . . . 36 SER CA . 28116 1 61 . 1 . 1 15 15 SER CB C 13 63.7340 0.1 . 1 . . . . . 36 SER CB . 28116 1 62 . 1 . 1 15 15 SER N N 15 115.6610 0.1 . 1 . . . . . 36 SER N . 28116 1 63 . 1 . 1 16 16 ARG H H 1 8.3740 0.02 . 1 . . . . . 37 ARG H . 28116 1 64 . 1 . 1 16 16 ARG C C 13 175.6600 0.1 . 1 . . . . . 37 ARG C . 28116 1 65 . 1 . 1 16 16 ARG CA C 13 56.0150 0.1 . 1 . . . . . 37 ARG CA . 28116 1 66 . 1 . 1 16 16 ARG CB C 13 30.8600 0.1 . 1 . . . . . 37 ARG CB . 28116 1 67 . 1 . 1 16 16 ARG N N 15 122.8190 0.1 . 1 . . . . . 37 ARG N . 28116 1 68 . 1 . 1 17 17 TYR H H 1 8.1510 0.02 . 1 . . . . . 38 TYR H . 28116 1 69 . 1 . 1 17 17 TYR CA C 13 55.3290 0.1 . 1 . . . . . 38 TYR CA . 28116 1 70 . 1 . 1 17 17 TYR CB C 13 38.1250 0.1 . 1 . . . . . 38 TYR CB . 28116 1 71 . 1 . 1 17 17 TYR N N 15 121.4220 0.1 . 1 . . . . . 38 TYR N . 28116 1 72 . 1 . 1 18 18 PRO C C 13 177.4710 0.1 . 1 . . . . . 39 PRO C . 28116 1 73 . 1 . 1 18 18 PRO CA C 13 63.5050 0.1 . 1 . . . . . 39 PRO CA . 28116 1 74 . 1 . 1 18 18 PRO CB C 13 31.9410 0.1 . 1 . . . . . 39 PRO CB . 28116 1 75 . 1 . 1 19 19 GLY H H 1 8.2570 0.02 . 1 . . . . . 40 GLY H . 28116 1 76 . 1 . 1 19 19 GLY C C 13 174.2090 0.1 . 1 . . . . . 40 GLY C . 28116 1 77 . 1 . 1 19 19 GLY CA C 13 45.1860 0.1 . 1 . . . . . 40 GLY CA . 28116 1 78 . 1 . 1 19 19 GLY N N 15 109.4400 0.1 . 1 . . . . . 40 GLY N . 28116 1 79 . 1 . 1 20 20 GLN H H 1 8.1890 0.02 . 1 . . . . . 41 GLN H . 28116 1 80 . 1 . 1 20 20 GLN HE21 H 1 7.5490 0.02 . 2 . . . . . 41 GLN HE21 . 28116 1 81 . 1 . 1 20 20 GLN HE22 H 1 6.8670 0.02 . 2 . . . . . 41 GLN HE22 . 28116 1 82 . 1 . 1 20 20 GLN C C 13 176.5710 0.1 . 1 . . . . . 41 GLN C . 28116 1 83 . 1 . 1 20 20 GLN CA C 13 56.1200 0.1 . 1 . . . . . 41 GLN CA . 28116 1 84 . 1 . 1 20 20 GLN CB C 13 29.4100 0.1 . 1 . . . . . 41 GLN CB . 28116 1 85 . 1 . 1 20 20 GLN CG C 13 33.7260 0.1 . 1 . . . . . 41 GLN CG . 28116 1 86 . 1 . 1 20 20 GLN CD C 13 180.2000 0.1 . 1 . . . . . 41 GLN CD . 28116 1 87 . 1 . 1 20 20 GLN N N 15 120.0080 0.1 . 1 . . . . . 41 GLN N . 28116 1 88 . 1 . 1 20 20 GLN NE2 N 15 112.4560 0.1 . 1 . . . . . 41 GLN NE2 . 28116 1 89 . 1 . 1 21 21 GLY H H 1 8.5940 0.02 . 1 . . . . . 42 GLY H . 28116 1 90 . 1 . 1 21 21 GLY C C 13 173.6900 0.1 . 1 . . . . . 42 GLY C . 28116 1 91 . 1 . 1 21 21 GLY CA C 13 45.0100 0.1 . 1 . . . . . 42 GLY CA . 28116 1 92 . 1 . 1 21 21 GLY N N 15 110.6980 0.1 . 1 . . . . . 42 GLY N . 28116 1 93 . 1 . 1 22 22 SER H H 1 8.2590 0.02 . 1 . . . . . 43 SER H . 28116 1 94 . 1 . 1 22 22 SER CA C 13 56.4040 0.1 . 1 . . . . . 43 SER CA . 28116 1 95 . 1 . 1 22 22 SER CB C 13 63.2160 0.1 . 1 . . . . . 43 SER CB . 28116 1 96 . 1 . 1 22 22 SER N N 15 116.7920 0.1 . 1 . . . . . 43 SER N . 28116 1 97 . 1 . 1 23 23 PRO C C 13 177.6330 0.1 . 1 . . . . . 44 PRO C . 28116 1 98 . 1 . 1 23 23 PRO CA C 13 63.6750 0.1 . 1 . . . . . 44 PRO CA . 28116 1 99 . 1 . 1 23 23 PRO CB C 13 31.9520 0.1 . 1 . . . . . 44 PRO CB . 28116 1 100 . 1 . 1 24 24 GLY H H 1 8.5150 0.02 . 1 . . . . . 45 GLY H . 28116 1 101 . 1 . 1 24 24 GLY C C 13 174.5830 0.1 . 1 . . . . . 45 GLY C . 28116 1 102 . 1 . 1 24 24 GLY CA C 13 45.2180 0.1 . 1 . . . . . 45 GLY CA . 28116 1 103 . 1 . 1 24 24 GLY N N 15 109.5110 0.1 . 1 . . . . . 45 GLY N . 28116 1 104 . 1 . 1 25 25 GLY H H 1 8.2260 0.02 . 1 . . . . . 46 GLY H . 28116 1 105 . 1 . 1 25 25 GLY C C 13 173.9200 0.1 . 1 . . . . . 46 GLY C . 28116 1 106 . 1 . 1 25 25 GLY CA C 13 45.1290 0.1 . 1 . . . . . 46 GLY CA . 28116 1 107 . 1 . 1 25 25 GLY N N 15 108.5190 0.1 . 1 . . . . . 46 GLY N . 28116 1 108 . 1 . 1 26 26 ASN H H 1 8.3830 0.02 . 1 . . . . . 47 ASN H . 28116 1 109 . 1 . 1 26 26 ASN HD21 H 1 7.5580 0.02 . 2 . . . . . 47 ASN HD21 . 28116 1 110 . 1 . 1 26 26 ASN HD22 H 1 6.9380 0.02 . 2 . . . . . 47 ASN HD22 . 28116 1 111 . 1 . 1 26 26 ASN C C 13 175.0840 0.1 . 1 . . . . . 47 ASN C . 28116 1 112 . 1 . 1 26 26 ASN CA C 13 53.1390 0.1 . 1 . . . . . 47 ASN CA . 28116 1 113 . 1 . 1 26 26 ASN CB C 13 38.7620 0.1 . 1 . . . . . 47 ASN CB . 28116 1 114 . 1 . 1 26 26 ASN CG C 13 176.9660 0.1 . 1 . . . . . 47 ASN CG . 28116 1 115 . 1 . 1 26 26 ASN N N 15 118.6100 0.1 . 1 . . . . . 47 ASN N . 28116 1 116 . 1 . 1 26 26 ASN ND2 N 15 112.8850 0.1 . 1 . . . . . 47 ASN ND2 . 28116 1 117 . 1 . 1 27 27 ARG H H 1 8.2790 0.02 . 1 . . . . . 48 ARG H . 28116 1 118 . 1 . 1 27 27 ARG C C 13 175.5190 0.1 . 1 . . . . . 48 ARG C . 28116 1 119 . 1 . 1 27 27 ARG CA C 13 56.1290 0.1 . 1 . . . . . 48 ARG CA . 28116 1 120 . 1 . 1 27 27 ARG CB C 13 30.7710 0.1 . 1 . . . . . 48 ARG CB . 28116 1 121 . 1 . 1 27 27 ARG N N 15 121.2580 0.1 . 1 . . . . . 48 ARG N . 28116 1 122 . 1 . 1 28 28 TYR H H 1 8.1740 0.02 . 1 . . . . . 49 TYR H . 28116 1 123 . 1 . 1 28 28 TYR CA C 13 55.3750 0.1 . 1 . . . . . 49 TYR CA . 28116 1 124 . 1 . 1 28 28 TYR CB C 13 38.1260 0.1 . 1 . . . . . 49 TYR CB . 28116 1 125 . 1 . 1 28 28 TYR N N 15 121.0380 0.1 . 1 . . . . . 49 TYR N . 28116 1 126 . 1 . 1 30 30 PRO C C 13 177.1340 0.1 . 1 . . . . . 51 PRO C . 28116 1 127 . 1 . 1 30 30 PRO CA C 13 63.0370 0.1 . 1 . . . . . 51 PRO CA . 28116 1 128 . 1 . 1 30 30 PRO CB C 13 31.9540 0.1 . 1 . . . . . 51 PRO CB . 28116 1 129 . 1 . 1 31 31 GLN H H 1 8.5870 0.02 . 1 . . . . . 52 GLN H . 28116 1 130 . 1 . 1 31 31 GLN HE21 H 1 7.5250 0.02 . 2 . . . . . 52 GLN HE21 . 28116 1 131 . 1 . 1 31 31 GLN HE22 H 1 6.8930 0.02 . 2 . . . . . 52 GLN HE22 . 28116 1 132 . 1 . 1 31 31 GLN C C 13 176.6440 0.1 . 1 . . . . . 52 GLN C . 28116 1 133 . 1 . 1 31 31 GLN CA C 13 55.9410 0.1 . 1 . . . . . 52 GLN CA . 28116 1 134 . 1 . 1 31 31 GLN CB C 13 29.4050 0.1 . 1 . . . . . 52 GLN CB . 28116 1 135 . 1 . 1 31 31 GLN CG C 13 33.7540 0.1 . 1 . . . . . 52 GLN CG . 28116 1 136 . 1 . 1 31 31 GLN CD C 13 180.4080 0.1 . 1 . . . . . 52 GLN CD . 28116 1 137 . 1 . 1 31 31 GLN N N 15 120.4170 0.1 . 1 . . . . . 52 GLN N . 28116 1 138 . 1 . 1 31 31 GLN NE2 N 15 112.9820 0.1 . 1 . . . . . 52 GLN NE2 . 28116 1 139 . 1 . 1 32 32 GLY H H 1 8.4730 0.02 . 1 . . . . . 53 GLY H . 28116 1 140 . 1 . 1 32 32 GLY C C 13 174.6780 0.1 . 1 . . . . . 53 GLY C . 28116 1 141 . 1 . 1 32 32 GLY CA C 13 45.2550 0.1 . 1 . . . . . 53 GLY CA . 28116 1 142 . 1 . 1 32 32 GLY N N 15 110.3210 0.1 . 1 . . . . . 53 GLY N . 28116 1 143 . 1 . 1 33 33 GLY H H 1 8.3450 0.02 . 1 . . . . . 54 GLY H . 28116 1 144 . 1 . 1 33 33 GLY C C 13 174.6780 0.1 . 1 . . . . . 54 GLY C . 28116 1 145 . 1 . 1 33 33 GLY CA C 13 45.2280 0.1 . 1 . . . . . 54 GLY CA . 28116 1 146 . 1 . 1 33 33 GLY N N 15 108.6530 0.1 . 1 . . . . . 54 GLY N . 28116 1 147 . 1 . 1 34 34 GLY H H 1 8.3450 0.02 . 1 . . . . . 55 GLY H . 28116 1 148 . 1 . 1 34 34 GLY C C 13 174.5830 0.1 . 1 . . . . . 55 GLY C . 28116 1 149 . 1 . 1 34 34 GLY CA C 13 45.2280 0.1 . 1 . . . . . 55 GLY CA . 28116 1 150 . 1 . 1 34 34 GLY N N 15 108.6530 0.1 . 1 . . . . . 55 GLY N . 28116 1 151 . 1 . 1 35 35 GLY H H 1 8.2260 0.02 . 1 . . . . . 56 GLY H . 28116 1 152 . 1 . 1 35 35 GLY C C 13 173.9180 0.1 . 1 . . . . . 56 GLY C . 28116 1 153 . 1 . 1 35 35 GLY CA C 13 45.1290 0.1 . 1 . . . . . 56 GLY CA . 28116 1 154 . 1 . 1 35 35 GLY N N 15 108.5190 0.1 . 1 . . . . . 56 GLY N . 28116 1 155 . 1 . 1 36 36 TRP H H 1 8.0960 0.02 . 1 . . . . . 57 TRP H . 28116 1 156 . 1 . 1 36 36 TRP HE1 H 1 10.0660 0.02 . 1 . . . . . 57 TRP HE1 . 28116 1 157 . 1 . 1 36 36 TRP C C 13 176.8900 0.1 . 1 . . . . . 57 TRP C . 28116 1 158 . 1 . 1 36 36 TRP CA C 13 57.5160 0.1 . 1 . . . . . 57 TRP CA . 28116 1 159 . 1 . 1 36 36 TRP CB C 13 29.4940 0.1 . 1 . . . . . 57 TRP CB . 28116 1 160 . 1 . 1 36 36 TRP N N 15 120.8890 0.1 . 1 . . . . . 57 TRP N . 28116 1 161 . 1 . 1 36 36 TRP NE1 N 15 129.3260 0.1 . 1 . . . . . 57 TRP NE1 . 28116 1 162 . 1 . 1 37 37 GLY H H 1 8.3370 0.02 . 1 . . . . . 58 GLY H . 28116 1 163 . 1 . 1 37 37 GLY C C 13 173.5240 0.1 . 1 . . . . . 58 GLY C . 28116 1 164 . 1 . 1 37 37 GLY CA C 13 45.3020 0.1 . 1 . . . . . 58 GLY CA . 28116 1 165 . 1 . 1 37 37 GLY N N 15 110.7850 0.1 . 1 . . . . . 58 GLY N . 28116 1 166 . 1 . 1 38 38 GLN H H 1 8.0230 0.02 . 1 . . . . . 59 GLN H . 28116 1 167 . 1 . 1 38 38 GLN HE21 H 1 7.5100 0.02 . 2 . . . . . 59 GLN HE21 . 28116 1 168 . 1 . 1 38 38 GLN HE22 H 1 6.8700 0.02 . 2 . . . . . 59 GLN HE22 . 28116 1 169 . 1 . 1 38 38 GLN CA C 13 53.4720 0.1 . 1 . . . . . 59 GLN CA . 28116 1 170 . 1 . 1 38 38 GLN CB C 13 28.7880 0.1 . 1 . . . . . 59 GLN CB . 28116 1 171 . 1 . 1 38 38 GLN CG C 13 33.3250 0.1 . 1 . . . . . 59 GLN CG . 28116 1 172 . 1 . 1 38 38 GLN CD C 13 180.2720 0.1 . 1 . . . . . 59 GLN CD . 28116 1 173 . 1 . 1 38 38 GLN N N 15 120.1360 0.1 . 1 . . . . . 59 GLN N . 28116 1 174 . 1 . 1 38 38 GLN NE2 N 15 112.6730 0.1 . 1 . . . . . 59 GLN NE2 . 28116 1 175 . 1 . 1 39 39 PRO C C 13 176.7090 0.1 . 1 . . . . . 60 PRO C . 28116 1 176 . 1 . 1 39 39 PRO CA C 13 63.1930 0.1 . 1 . . . . . 60 PRO CA . 28116 1 177 . 1 . 1 39 39 PRO CB C 13 31.9040 0.1 . 1 . . . . . 60 PRO CB . 28116 1 178 . 1 . 1 40 40 HIS H H 1 8.3520 0.02 . 1 . . . . . 61 HIS H . 28116 1 179 . 1 . 1 40 40 HIS C C 13 176.0070 0.1 . 1 . . . . . 61 HIS C . 28116 1 180 . 1 . 1 40 40 HIS CA C 13 56.2400 0.1 . 1 . . . . . 61 HIS CA . 28116 1 181 . 1 . 1 40 40 HIS CB C 13 30.5670 0.1 . 1 . . . . . 61 HIS CB . 28116 1 182 . 1 . 1 40 40 HIS N N 15 119.3660 0.1 . 1 . . . . . 61 HIS N . 28116 1 183 . 1 . 1 41 41 GLY H H 1 8.3760 0.02 . 1 . . . . . 62 GLY H . 28116 1 184 . 1 . 1 41 41 GLY C C 13 174.6780 0.1 . 1 . . . . . 62 GLY C . 28116 1 185 . 1 . 1 41 41 GLY CA C 13 45.3020 0.1 . 1 . . . . . 62 GLY CA . 28116 1 186 . 1 . 1 41 41 GLY N N 15 110.4410 0.1 . 1 . . . . . 62 GLY N . 28116 1 187 . 1 . 1 42 42 GLY H H 1 8.3450 0.02 . 1 . . . . . 63 GLY H . 28116 1 188 . 1 . 1 42 42 GLY C C 13 174.5830 0.1 . 1 . . . . . 63 GLY C . 28116 1 189 . 1 . 1 42 42 GLY CA C 13 45.2280 0.1 . 1 . . . . . 63 GLY CA . 28116 1 190 . 1 . 1 42 42 GLY N N 15 108.6530 0.1 . 1 . . . . . 63 GLY N . 28116 1 191 . 1 . 1 43 43 GLY H H 1 8.2260 0.02 . 1 . . . . . 64 GLY H . 28116 1 192 . 1 . 1 43 43 GLY C C 13 173.9180 0.1 . 1 . . . . . 64 GLY C . 28116 1 193 . 1 . 1 43 43 GLY CA C 13 45.1290 0.1 . 1 . . . . . 64 GLY CA . 28116 1 194 . 1 . 1 43 43 GLY N N 15 108.5190 0.1 . 1 . . . . . 64 GLY N . 28116 1 195 . 1 . 1 44 44 TRP H H 1 8.0960 0.02 . 1 . . . . . 65 TRP H . 28116 1 196 . 1 . 1 44 44 TRP HE1 H 1 10.0660 0.02 . 1 . . . . . 65 TRP HE1 . 28116 1 197 . 1 . 1 44 44 TRP C C 13 176.8900 0.1 . 1 . . . . . 65 TRP C . 28116 1 198 . 1 . 1 44 44 TRP CA C 13 57.5160 0.1 . 1 . . . . . 65 TRP CA . 28116 1 199 . 1 . 1 44 44 TRP CB C 13 29.4940 0.1 . 1 . . . . . 65 TRP CB . 28116 1 200 . 1 . 1 44 44 TRP N N 15 120.8890 0.1 . 1 . . . . . 65 TRP N . 28116 1 201 . 1 . 1 44 44 TRP NE1 N 15 129.3260 0.1 . 1 . . . . . 65 TRP NE1 . 28116 1 202 . 1 . 1 45 45 GLY H H 1 8.3370 0.02 . 1 . . . . . 66 GLY H . 28116 1 203 . 1 . 1 45 45 GLY C C 13 173.5240 0.1 . 1 . . . . . 66 GLY C . 28116 1 204 . 1 . 1 45 45 GLY CA C 13 45.1080 0.1 . 1 . . . . . 66 GLY CA . 28116 1 205 . 1 . 1 45 45 GLY N N 15 110.7850 0.1 . 1 . . . . . 66 GLY N . 28116 1 206 . 1 . 1 46 46 GLN H H 1 8.0230 0.02 . 1 . . . . . 67 GLN H . 28116 1 207 . 1 . 1 46 46 GLN HE21 H 1 7.5100 0.02 . 2 . . . . . 67 GLN HE21 . 28116 1 208 . 1 . 1 46 46 GLN HE22 H 1 6.8700 0.02 . 2 . . . . . 67 GLN HE22 . 28116 1 209 . 1 . 1 46 46 GLN CA C 13 53.4720 0.1 . 1 . . . . . 67 GLN CA . 28116 1 210 . 1 . 1 46 46 GLN CB C 13 28.7880 0.1 . 1 . . . . . 67 GLN CB . 28116 1 211 . 1 . 1 46 46 GLN CG C 13 33.3250 0.1 . 1 . . . . . 67 GLN CG . 28116 1 212 . 1 . 1 46 46 GLN CD C 13 180.2720 0.1 . 1 . . . . . 67 GLN CD . 28116 1 213 . 1 . 1 46 46 GLN N N 15 120.1360 0.1 . 1 . . . . . 67 GLN N . 28116 1 214 . 1 . 1 46 46 GLN NE2 N 15 112.6730 0.1 . 1 . . . . . 67 GLN NE2 . 28116 1 215 . 1 . 1 47 47 PRO C C 13 176.7090 0.1 . 1 . . . . . 68 PRO C . 28116 1 216 . 1 . 1 47 47 PRO CA C 13 63.1930 0.1 . 1 . . . . . 68 PRO CA . 28116 1 217 . 1 . 1 47 47 PRO CB C 13 31.9040 0.1 . 1 . . . . . 68 PRO CB . 28116 1 218 . 1 . 1 48 48 HIS H H 1 8.3520 0.02 . 1 . . . . . 69 HIS H . 28116 1 219 . 1 . 1 48 48 HIS C C 13 176.0070 0.1 . 1 . . . . . 69 HIS C . 28116 1 220 . 1 . 1 48 48 HIS CA C 13 56.2400 0.1 . 1 . . . . . 69 HIS CA . 28116 1 221 . 1 . 1 48 48 HIS CB C 13 30.5670 0.1 . 1 . . . . . 69 HIS CB . 28116 1 222 . 1 . 1 48 48 HIS N N 15 119.3660 0.1 . 1 . . . . . 69 HIS N . 28116 1 223 . 1 . 1 49 49 GLY H H 1 8.3760 0.02 . 1 . . . . . 70 GLY H . 28116 1 224 . 1 . 1 49 49 GLY C C 13 174.6780 0.1 . 1 . . . . . 70 GLY C . 28116 1 225 . 1 . 1 49 49 GLY CA C 13 45.3020 0.1 . 1 . . . . . 70 GLY CA . 28116 1 226 . 1 . 1 49 49 GLY N N 15 110.4410 0.1 . 1 . . . . . 70 GLY N . 28116 1 227 . 1 . 1 50 50 GLY H H 1 8.3450 0.02 . 1 . . . . . 71 GLY H . 28116 1 228 . 1 . 1 50 50 GLY C C 13 174.5830 0.1 . 1 . . . . . 71 GLY C . 28116 1 229 . 1 . 1 50 50 GLY CA C 13 45.2280 0.1 . 1 . . . . . 71 GLY CA . 28116 1 230 . 1 . 1 50 50 GLY N N 15 108.6530 0.1 . 1 . . . . . 71 GLY N . 28116 1 231 . 1 . 1 51 51 GLY H H 1 8.2260 0.02 . 1 . . . . . 72 GLY H . 28116 1 232 . 1 . 1 51 51 GLY C C 13 173.9180 0.1 . 1 . . . . . 72 GLY C . 28116 1 233 . 1 . 1 51 51 GLY CA C 13 45.1290 0.1 . 1 . . . . . 72 GLY CA . 28116 1 234 . 1 . 1 51 51 GLY N N 15 108.5190 0.1 . 1 . . . . . 72 GLY N . 28116 1 235 . 1 . 1 52 52 TRP H H 1 8.0960 0.02 . 1 . . . . . 73 TRP H . 28116 1 236 . 1 . 1 52 52 TRP HE1 H 1 10.0660 0.02 . 1 . . . . . 73 TRP HE1 . 28116 1 237 . 1 . 1 52 52 TRP C C 13 176.8900 0.1 . 1 . . . . . 73 TRP C . 28116 1 238 . 1 . 1 52 52 TRP CA C 13 57.5160 0.1 . 1 . . . . . 73 TRP CA . 28116 1 239 . 1 . 1 52 52 TRP CB C 13 29.4940 0.1 . 1 . . . . . 73 TRP CB . 28116 1 240 . 1 . 1 52 52 TRP N N 15 120.8890 0.1 . 1 . . . . . 73 TRP N . 28116 1 241 . 1 . 1 52 52 TRP NE1 N 15 129.3260 0.1 . 1 . . . . . 73 TRP NE1 . 28116 1 242 . 1 . 1 53 53 GLY H H 1 8.3370 0.02 . 1 . . . . . 74 GLY H . 28116 1 243 . 1 . 1 53 53 GLY C C 13 173.5240 0.1 . 1 . . . . . 74 GLY C . 28116 1 244 . 1 . 1 53 53 GLY CA C 13 45.1080 0.1 . 1 . . . . . 74 GLY CA . 28116 1 245 . 1 . 1 53 53 GLY N N 15 110.7850 0.1 . 1 . . . . . 74 GLY N . 28116 1 246 . 1 . 1 54 54 GLN H H 1 8.0230 0.02 . 1 . . . . . 75 GLN H . 28116 1 247 . 1 . 1 54 54 GLN HE21 H 1 7.5100 0.02 . 2 . . . . . 75 GLN HE21 . 28116 1 248 . 1 . 1 54 54 GLN HE22 H 1 6.8700 0.02 . 2 . . . . . 75 GLN HE22 . 28116 1 249 . 1 . 1 54 54 GLN CA C 13 53.4720 0.1 . 1 . . . . . 75 GLN CA . 28116 1 250 . 1 . 1 54 54 GLN CB C 13 28.7880 0.1 . 1 . . . . . 75 GLN CB . 28116 1 251 . 1 . 1 54 54 GLN CG C 13 33.3250 0.1 . 1 . . . . . 75 GLN CG . 28116 1 252 . 1 . 1 54 54 GLN CD C 13 180.2720 0.1 . 1 . . . . . 75 GLN CD . 28116 1 253 . 1 . 1 54 54 GLN N N 15 120.1360 0.1 . 1 . . . . . 75 GLN N . 28116 1 254 . 1 . 1 54 54 GLN NE2 N 15 112.6730 0.1 . 1 . . . . . 75 GLN NE2 . 28116 1 255 . 1 . 1 55 55 PRO C C 13 176.7090 0.1 . 1 . . . . . 76 PRO C . 28116 1 256 . 1 . 1 55 55 PRO CA C 13 63.1930 0.1 . 1 . . . . . 76 PRO CA . 28116 1 257 . 1 . 1 55 55 PRO CB C 13 31.9040 0.1 . 1 . . . . . 76 PRO CB . 28116 1 258 . 1 . 1 56 56 HIS H H 1 8.3520 0.02 . 1 . . . . . 77 HIS H . 28116 1 259 . 1 . 1 56 56 HIS C C 13 176.0070 0.1 . 1 . . . . . 77 HIS C . 28116 1 260 . 1 . 1 56 56 HIS CA C 13 56.2400 0.1 . 1 . . . . . 77 HIS CA . 28116 1 261 . 1 . 1 56 56 HIS CB C 13 30.5670 0.1 . 1 . . . . . 77 HIS CB . 28116 1 262 . 1 . 1 56 56 HIS N N 15 119.3660 0.1 . 1 . . . . . 77 HIS N . 28116 1 263 . 1 . 1 57 57 GLY H H 1 8.3760 0.02 . 1 . . . . . 78 GLY H . 28116 1 264 . 1 . 1 57 57 GLY C C 13 174.6780 0.1 . 1 . . . . . 78 GLY C . 28116 1 265 . 1 . 1 57 57 GLY CA C 13 45.3020 0.1 . 1 . . . . . 78 GLY CA . 28116 1 266 . 1 . 1 57 57 GLY N N 15 110.4410 0.1 . 1 . . . . . 78 GLY N . 28116 1 267 . 1 . 1 58 58 GLY H H 1 8.3450 0.02 . 1 . . . . . 79 GLY H . 28116 1 268 . 1 . 1 58 58 GLY C C 13 174.5830 0.1 . 1 . . . . . 79 GLY C . 28116 1 269 . 1 . 1 58 58 GLY CA C 13 45.2280 0.1 . 1 . . . . . 79 GLY CA . 28116 1 270 . 1 . 1 58 58 GLY N N 15 108.6530 0.1 . 1 . . . . . 79 GLY N . 28116 1 271 . 1 . 1 59 59 GLY H H 1 8.2260 0.02 . 1 . . . . . 80 GLY H . 28116 1 272 . 1 . 1 59 59 GLY C C 13 173.9180 0.1 . 1 . . . . . 80 GLY C . 28116 1 273 . 1 . 1 59 59 GLY CA C 13 45.1290 0.1 . 1 . . . . . 80 GLY CA . 28116 1 274 . 1 . 1 59 59 GLY N N 15 108.5190 0.1 . 1 . . . . . 80 GLY N . 28116 1 275 . 1 . 1 60 60 TRP H H 1 8.0960 0.02 . 1 . . . . . 81 TRP H . 28116 1 276 . 1 . 1 60 60 TRP HE1 H 1 10.0660 0.02 . 1 . . . . . 81 TRP HE1 . 28116 1 277 . 1 . 1 60 60 TRP C C 13 176.8900 0.1 . 1 . . . . . 81 TRP C . 28116 1 278 . 1 . 1 60 60 TRP CA C 13 57.5160 0.1 . 1 . . . . . 81 TRP CA . 28116 1 279 . 1 . 1 60 60 TRP CB C 13 29.4940 0.1 . 1 . . . . . 81 TRP CB . 28116 1 280 . 1 . 1 60 60 TRP N N 15 120.8890 0.1 . 1 . . . . . 81 TRP N . 28116 1 281 . 1 . 1 60 60 TRP NE1 N 15 129.3260 0.1 . 1 . . . . . 81 TRP NE1 . 28116 1 282 . 1 . 1 61 61 GLY H H 1 8.3370 0.02 . 1 . . . . . 82 GLY H . 28116 1 283 . 1 . 1 61 61 GLY C C 13 173.5240 0.1 . 1 . . . . . 82 GLY C . 28116 1 284 . 1 . 1 61 61 GLY CA C 13 45.1080 0.1 . 1 . . . . . 82 GLY CA . 28116 1 285 . 1 . 1 61 61 GLY N N 15 110.7850 0.1 . 1 . . . . . 82 GLY N . 28116 1 286 . 1 . 1 62 62 GLN H H 1 8.0230 0.02 . 1 . . . . . 83 GLN H . 28116 1 287 . 1 . 1 62 62 GLN HE21 H 1 7.5100 0.02 . 2 . . . . . 83 GLN HE21 . 28116 1 288 . 1 . 1 62 62 GLN HE22 H 1 6.8700 0.02 . 2 . . . . . 83 GLN HE22 . 28116 1 289 . 1 . 1 62 62 GLN CA C 13 53.4720 0.1 . 1 . . . . . 83 GLN CA . 28116 1 290 . 1 . 1 62 62 GLN CB C 13 28.7880 0.1 . 1 . . . . . 83 GLN CB . 28116 1 291 . 1 . 1 62 62 GLN CG C 13 33.3250 0.1 . 1 . . . . . 83 GLN CG . 28116 1 292 . 1 . 1 62 62 GLN CD C 13 180.2720 0.1 . 1 . . . . . 83 GLN CD . 28116 1 293 . 1 . 1 62 62 GLN N N 15 120.1360 0.1 . 1 . . . . . 83 GLN N . 28116 1 294 . 1 . 1 62 62 GLN NE2 N 15 112.6730 0.1 . 1 . . . . . 83 GLN NE2 . 28116 1 295 . 1 . 1 63 63 PRO C C 13 176.7090 0.1 . 1 . . . . . 84 PRO C . 28116 1 296 . 1 . 1 63 63 PRO CA C 13 63.1930 0.1 . 1 . . . . . 84 PRO CA . 28116 1 297 . 1 . 1 63 63 PRO CB C 13 31.9040 0.1 . 1 . . . . . 84 PRO CB . 28116 1 298 . 1 . 1 64 64 HIS H H 1 8.3520 0.02 . 1 . . . . . 85 HIS H . 28116 1 299 . 1 . 1 64 64 HIS C C 13 176.0070 0.1 . 1 . . . . . 85 HIS C . 28116 1 300 . 1 . 1 64 64 HIS CA C 13 56.2400 0.1 . 1 . . . . . 85 HIS CA . 28116 1 301 . 1 . 1 64 64 HIS CB C 13 30.5670 0.1 . 1 . . . . . 85 HIS CB . 28116 1 302 . 1 . 1 64 64 HIS N N 15 119.3660 0.1 . 1 . . . . . 85 HIS N . 28116 1 303 . 1 . 1 65 65 GLY H H 1 8.3760 0.02 . 1 . . . . . 86 GLY H . 28116 1 304 . 1 . 1 65 65 GLY C C 13 174.6780 0.1 . 1 . . . . . 86 GLY C . 28116 1 305 . 1 . 1 65 65 GLY CA C 13 45.3020 0.1 . 1 . . . . . 86 GLY CA . 28116 1 306 . 1 . 1 65 65 GLY N N 15 110.4410 0.1 . 1 . . . . . 86 GLY N . 28116 1 307 . 1 . 1 66 66 GLY H H 1 8.3450 0.02 . 1 . . . . . 87 GLY H . 28116 1 308 . 1 . 1 66 66 GLY C C 13 174.5830 0.1 . 1 . . . . . 87 GLY C . 28116 1 309 . 1 . 1 66 66 GLY CA C 13 45.2280 0.1 . 1 . . . . . 87 GLY CA . 28116 1 310 . 1 . 1 66 66 GLY N N 15 108.6530 0.1 . 1 . . . . . 87 GLY N . 28116 1 311 . 1 . 1 67 67 GLY H H 1 8.2260 0.02 . 1 . . . . . 88 GLY H . 28116 1 312 . 1 . 1 67 67 GLY C C 13 173.9180 0.1 . 1 . . . . . 88 GLY C . 28116 1 313 . 1 . 1 67 67 GLY CA C 13 45.1290 0.1 . 1 . . . . . 88 GLY CA . 28116 1 314 . 1 . 1 67 67 GLY N N 15 108.5190 0.1 . 1 . . . . . 88 GLY N . 28116 1 315 . 1 . 1 68 68 TRP H H 1 8.0960 0.02 . 1 . . . . . 89 TRP H . 28116 1 316 . 1 . 1 68 68 TRP HE1 H 1 10.0660 0.02 . 1 . . . . . 89 TRP HE1 . 28116 1 317 . 1 . 1 68 68 TRP C C 13 177.0360 0.1 . 1 . . . . . 89 TRP C . 28116 1 318 . 1 . 1 68 68 TRP CA C 13 57.5160 0.1 . 1 . . . . . 89 TRP CA . 28116 1 319 . 1 . 1 68 68 TRP CB C 13 29.4940 0.1 . 1 . . . . . 89 TRP CB . 28116 1 320 . 1 . 1 68 68 TRP N N 15 120.8890 0.1 . 1 . . . . . 89 TRP N . 28116 1 321 . 1 . 1 68 68 TRP NE1 N 15 129.3260 0.1 . 1 . . . . . 89 TRP NE1 . 28116 1 322 . 1 . 1 69 69 GLY H H 1 8.3580 0.02 . 1 . . . . . 90 GLY H . 28116 1 323 . 1 . 1 69 69 GLY C C 13 174.1740 0.1 . 1 . . . . . 90 GLY C . 28116 1 324 . 1 . 1 69 69 GLY CA C 13 45.2710 0.1 . 1 . . . . . 90 GLY CA . 28116 1 325 . 1 . 1 69 69 GLY N N 15 110.8850 0.1 . 1 . . . . . 90 GLY N . 28116 1 326 . 1 . 1 70 70 GLN H H 1 8.1870 0.02 . 1 . . . . . 91 GLN H . 28116 1 327 . 1 . 1 70 70 GLN HE21 H 1 7.4740 0.02 . 2 . . . . . 91 GLN HE21 . 28116 1 328 . 1 . 1 70 70 GLN HE22 H 1 6.8190 0.02 . 2 . . . . . 91 GLN HE22 . 28116 1 329 . 1 . 1 70 70 GLN C C 13 176.6590 0.1 . 1 . . . . . 91 GLN C . 28116 1 330 . 1 . 1 70 70 GLN CA C 13 55.9590 0.1 . 1 . . . . . 91 GLN CA . 28116 1 331 . 1 . 1 70 70 GLN CB C 13 29.3210 0.1 . 1 . . . . . 91 GLN CB . 28116 1 332 . 1 . 1 70 70 GLN CG C 13 32.9190 0.1 . 1 . . . . . 91 GLN CG . 28116 1 333 . 1 . 1 70 70 GLN CD C 13 180.0760 0.1 . 1 . . . . . 91 GLN CD . 28116 1 334 . 1 . 1 70 70 GLN N N 15 119.5640 0.1 . 1 . . . . . 91 GLN N . 28116 1 335 . 1 . 1 70 70 GLN NE2 N 15 112.2530 0.1 . 1 . . . . . 91 GLN NE2 . 28116 1 336 . 1 . 1 71 71 GLY H H 1 8.5350 0.02 . 1 . . . . . 92 GLY H . 28116 1 337 . 1 . 1 71 71 GLY CA C 13 45.3410 0.1 . 1 . . . . . 92 GLY CA . 28116 1 338 . 1 . 1 71 71 GLY N N 15 110.0950 0.1 . 1 . . . . . 92 GLY N . 28116 1 339 . 1 . 1 72 72 GLY C C 13 174.6600 0.1 . 1 . . . . . 93 GLY C . 28116 1 340 . 1 . 1 73 73 GLY H H 1 8.3140 0.02 . 1 . . . . . 94 GLY H . 28116 1 341 . 1 . 1 73 73 GLY C C 13 174.5000 0.1 . 1 . . . . . 94 GLY C . 28116 1 342 . 1 . 1 73 73 GLY CA C 13 45.0780 0.1 . 1 . . . . . 94 GLY CA . 28116 1 343 . 1 . 1 73 73 GLY N N 15 108.6270 0.1 . 1 . . . . . 94 GLY N . 28116 1 344 . 1 . 1 74 74 THR H H 1 8.1590 0.02 . 1 . . . . . 95 THR H . 28116 1 345 . 1 . 1 74 74 THR C C 13 174.6910 0.1 . 1 . . . . . 95 THR C . 28116 1 346 . 1 . 1 74 74 THR CA C 13 62.0880 0.1 . 1 . . . . . 95 THR CA . 28116 1 347 . 1 . 1 74 74 THR CB C 13 69.5900 0.1 . 1 . . . . . 95 THR CB . 28116 1 348 . 1 . 1 74 74 THR N N 15 113.5150 0.1 . 1 . . . . . 95 THR N . 28116 1 349 . 1 . 1 75 75 HIS H H 1 8.3790 0.02 . 1 . . . . . 96 HIS H . 28116 1 350 . 1 . 1 75 75 HIS C C 13 175.5870 0.1 . 1 . . . . . 96 HIS C . 28116 1 351 . 1 . 1 75 75 HIS CA C 13 56.4150 0.1 . 1 . . . . . 96 HIS CA . 28116 1 352 . 1 . 1 75 75 HIS CB C 13 30.6820 0.1 . 1 . . . . . 96 HIS CB . 28116 1 353 . 1 . 1 75 75 HIS N N 15 121.5950 0.1 . 1 . . . . . 96 HIS N . 28116 1 354 . 1 . 1 76 76 SER H H 1 8.2230 0.02 . 1 . . . . . 97 SER H . 28116 1 355 . 1 . 1 76 76 SER C C 13 174.7090 0.1 . 1 . . . . . 97 SER C . 28116 1 356 . 1 . 1 76 76 SER CA C 13 58.5140 0.1 . 1 . . . . . 97 SER CA . 28116 1 357 . 1 . 1 76 76 SER CB C 13 63.5870 0.1 . 1 . . . . . 97 SER CB . 28116 1 358 . 1 . 1 76 76 SER N N 15 116.8510 0.1 . 1 . . . . . 97 SER N . 28116 1 359 . 1 . 1 77 77 GLN H H 1 8.5290 0.02 . 1 . . . . . 98 GLN H . 28116 1 360 . 1 . 1 77 77 GLN HE21 H 1 7.3940 0.02 . 2 . . . . . 98 GLN HE21 . 28116 1 361 . 1 . 1 77 77 GLN HE22 H 1 6.8700 0.02 . 2 . . . . . 98 GLN HE22 . 28116 1 362 . 1 . 1 77 77 GLN C C 13 175.8060 0.1 . 1 . . . . . 98 GLN C . 28116 1 363 . 1 . 1 77 77 GLN CA C 13 56.1090 0.1 . 1 . . . . . 98 GLN CA . 28116 1 364 . 1 . 1 77 77 GLN CB C 13 29.0500 0.1 . 1 . . . . . 98 GLN CB . 28116 1 365 . 1 . 1 77 77 GLN CG C 13 33.3860 0.1 . 1 . . . . . 98 GLN CG . 28116 1 366 . 1 . 1 77 77 GLN CD C 13 180.2790 0.1 . 1 . . . . . 98 GLN CD . 28116 1 367 . 1 . 1 77 77 GLN N N 15 121.9610 0.1 . 1 . . . . . 98 GLN N . 28116 1 368 . 1 . 1 77 77 GLN NE2 N 15 112.6640 0.1 . 1 . . . . . 98 GLN NE2 . 28116 1 369 . 1 . 1 78 78 TRP H H 1 8.0510 0.02 . 1 . . . . . 99 TRP H . 28116 1 370 . 1 . 1 78 78 TRP HE1 H 1 10.1600 0.02 . 1 . . . . . 99 TRP HE1 . 28116 1 371 . 1 . 1 78 78 TRP C C 13 175.8060 0.1 . 1 . . . . . 99 TRP C . 28116 1 372 . 1 . 1 78 78 TRP CA C 13 57.1930 0.1 . 1 . . . . . 99 TRP CA . 28116 1 373 . 1 . 1 78 78 TRP CB C 13 29.3580 0.1 . 1 . . . . . 99 TRP CB . 28116 1 374 . 1 . 1 78 78 TRP N N 15 121.2350 0.1 . 1 . . . . . 99 TRP N . 28116 1 375 . 1 . 1 78 78 TRP NE1 N 15 129.6730 0.1 . 1 . . . . . 99 TRP NE1 . 28116 1 376 . 1 . 1 79 79 ASN H H 1 8.0530 0.02 . 1 . . . . . 100 ASN H . 28116 1 377 . 1 . 1 79 79 ASN HD21 H 1 7.4810 0.02 . 2 . . . . . 100 ASN HD21 . 28116 1 378 . 1 . 1 79 79 ASN HD22 H 1 6.8670 0.02 . 2 . . . . . 100 ASN HD22 . 28116 1 379 . 1 . 1 79 79 ASN C C 13 174.2390 0.1 . 1 . . . . . 100 ASN C . 28116 1 380 . 1 . 1 79 79 ASN CA C 13 52.6460 0.1 . 1 . . . . . 100 ASN CA . 28116 1 381 . 1 . 1 79 79 ASN CB C 13 38.7260 0.1 . 1 . . . . . 100 ASN CB . 28116 1 382 . 1 . 1 79 79 ASN CG C 13 176.8870 0.1 . 1 . . . . . 100 ASN CG . 28116 1 383 . 1 . 1 79 79 ASN N N 15 120.2500 0.1 . 1 . . . . . 100 ASN N . 28116 1 384 . 1 . 1 79 79 ASN ND2 N 15 112.7350 0.1 . 1 . . . . . 100 ASN ND2 . 28116 1 385 . 1 . 1 80 80 LYS H H 1 8.0360 0.02 . 1 . . . . . 101 LYS H . 28116 1 386 . 1 . 1 80 80 LYS CA C 13 54.1800 0.1 . 1 . . . . . 101 LYS CA . 28116 1 387 . 1 . 1 80 80 LYS CB C 13 32.4370 0.1 . 1 . . . . . 101 LYS CB . 28116 1 388 . 1 . 1 80 80 LYS N N 15 122.6460 0.1 . 1 . . . . . 101 LYS N . 28116 1 389 . 1 . 1 81 81 PRO C C 13 176.9270 0.1 . 1 . . . . . 102 PRO C . 28116 1 390 . 1 . 1 81 81 PRO CA C 13 63.0140 0.1 . 1 . . . . . 102 PRO CA . 28116 1 391 . 1 . 1 81 81 PRO CB C 13 32.1650 0.1 . 1 . . . . . 102 PRO CB . 28116 1 392 . 1 . 1 82 82 SER H H 1 8.5240 0.02 . 1 . . . . . 103 SER H . 28116 1 393 . 1 . 1 82 82 SER C C 13 174.1240 0.1 . 1 . . . . . 103 SER C . 28116 1 394 . 1 . 1 82 82 SER CA C 13 58.0340 0.1 . 1 . . . . . 103 SER CA . 28116 1 395 . 1 . 1 82 82 SER CB C 13 63.8880 0.1 . 1 . . . . . 103 SER CB . 28116 1 396 . 1 . 1 82 82 SER N N 15 117.1230 0.1 . 1 . . . . . 103 SER N . 28116 1 397 . 1 . 1 83 83 LYS H H 1 8.4330 0.02 . 1 . . . . . 104 LYS H . 28116 1 398 . 1 . 1 83 83 LYS CA C 13 54.2290 0.1 . 1 . . . . . 104 LYS CA . 28116 1 399 . 1 . 1 83 83 LYS CB C 13 32.6160 0.1 . 1 . . . . . 104 LYS CB . 28116 1 400 . 1 . 1 83 83 LYS N N 15 124.3910 0.1 . 1 . . . . . 104 LYS N . 28116 1 401 . 1 . 1 84 84 PRO C C 13 176.8390 0.1 . 1 . . . . . 105 PRO C . 28116 1 402 . 1 . 1 84 84 PRO CA C 13 62.9430 0.1 . 1 . . . . . 105 PRO CA . 28116 1 403 . 1 . 1 84 84 PRO CB C 13 32.2230 0.1 . 1 . . . . . 105 PRO CB . 28116 1 404 . 1 . 1 85 85 LYS H H 1 8.6240 0.02 . 1 . . . . . 106 LYS H . 28116 1 405 . 1 . 1 85 85 LYS C C 13 176.9020 0.1 . 1 . . . . . 106 LYS C . 28116 1 406 . 1 . 1 85 85 LYS CA C 13 56.3720 0.1 . 1 . . . . . 106 LYS CA . 28116 1 407 . 1 . 1 85 85 LYS CB C 13 33.0280 0.1 . 1 . . . . . 106 LYS CB . 28116 1 408 . 1 . 1 85 85 LYS N N 15 122.3650 0.1 . 1 . . . . . 106 LYS N . 28116 1 409 . 1 . 1 86 86 THR H H 1 8.2450 0.02 . 1 . . . . . 107 THR H . 28116 1 410 . 1 . 1 86 86 THR C C 13 173.9490 0.1 . 1 . . . . . 107 THR C . 28116 1 411 . 1 . 1 86 86 THR CA C 13 61.5840 0.1 . 1 . . . . . 107 THR CA . 28116 1 412 . 1 . 1 86 86 THR CB C 13 69.9020 0.1 . 1 . . . . . 107 THR CB . 28116 1 413 . 1 . 1 86 86 THR N N 15 115.5850 0.1 . 1 . . . . . 107 THR N . 28116 1 414 . 1 . 1 87 87 ASN H H 1 8.6250 0.02 . 1 . . . . . 108 ASN H . 28116 1 415 . 1 . 1 87 87 ASN HD21 H 1 7.6620 0.02 . 2 . . . . . 108 ASN HD21 . 28116 1 416 . 1 . 1 87 87 ASN HD22 H 1 6.9450 0.02 . 2 . . . . . 108 ASN HD22 . 28116 1 417 . 1 . 1 87 87 ASN C C 13 175.1740 0.1 . 1 . . . . . 108 ASN C . 28116 1 418 . 1 . 1 87 87 ASN CA C 13 53.0610 0.1 . 1 . . . . . 108 ASN CA . 28116 1 419 . 1 . 1 87 87 ASN CB C 13 38.6890 0.1 . 1 . . . . . 108 ASN CB . 28116 1 420 . 1 . 1 87 87 ASN CG C 13 177.0370 0.1 . 1 . . . . . 108 ASN CG . 28116 1 421 . 1 . 1 87 87 ASN N N 15 121.3610 0.1 . 1 . . . . . 108 ASN N . 28116 1 422 . 1 . 1 87 87 ASN ND2 N 15 112.9760 0.1 . 1 . . . . . 108 ASN ND2 . 28116 1 423 . 1 . 1 88 88 MET H H 1 8.4430 0.02 . 1 . . . . . 109 MET H . 28116 1 424 . 1 . 1 88 88 MET C C 13 176.3570 0.1 . 1 . . . . . 109 MET C . 28116 1 425 . 1 . 1 88 88 MET CA C 13 55.4880 0.1 . 1 . . . . . 109 MET CA . 28116 1 426 . 1 . 1 88 88 MET CB C 13 32.6930 0.1 . 1 . . . . . 109 MET CB . 28116 1 427 . 1 . 1 88 88 MET N N 15 121.4360 0.1 . 1 . . . . . 109 MET N . 28116 1 428 . 1 . 1 89 89 LYS H H 1 8.3910 0.02 . 1 . . . . . 110 LYS H . 28116 1 429 . 1 . 1 89 89 LYS C C 13 176.3350 0.1 . 1 . . . . . 110 LYS C . 28116 1 430 . 1 . 1 89 89 LYS CA C 13 56.6240 0.1 . 1 . . . . . 110 LYS CA . 28116 1 431 . 1 . 1 89 89 LYS CB C 13 32.8510 0.1 . 1 . . . . . 110 LYS CB . 28116 1 432 . 1 . 1 89 89 LYS N N 15 122.5250 0.1 . 1 . . . . . 110 LYS N . 28116 1 433 . 1 . 1 90 90 HIS H H 1 8.3590 0.02 . 1 . . . . . 111 HIS H . 28116 1 434 . 1 . 1 90 90 HIS C C 13 175.4340 0.1 . 1 . . . . . 111 HIS C . 28116 1 435 . 1 . 1 90 90 HIS CA C 13 56.4170 0.1 . 1 . . . . . 111 HIS CA . 28116 1 436 . 1 . 1 90 90 HIS CB C 13 30.8450 0.1 . 1 . . . . . 111 HIS CB . 28116 1 437 . 1 . 1 90 90 HIS N N 15 120.8580 0.1 . 1 . . . . . 111 HIS N . 28116 1 438 . 1 . 1 91 91 MET H H 1 8.2740 0.02 . 1 . . . . . 112 MET H . 28116 1 439 . 1 . 1 91 91 MET C C 13 175.7850 0.1 . 1 . . . . . 112 MET C . 28116 1 440 . 1 . 1 91 91 MET CA C 13 55.0270 0.1 . 1 . . . . . 112 MET CA . 28116 1 441 . 1 . 1 91 91 MET CB C 13 32.7560 0.1 . 1 . . . . . 112 MET CB . 28116 1 442 . 1 . 1 91 91 MET N N 15 122.5810 0.1 . 1 . . . . . 112 MET N . 28116 1 443 . 1 . 1 92 92 ALA H H 1 8.4060 0.02 . 1 . . . . . 113 ALA H . 28116 1 444 . 1 . 1 92 92 ALA C C 13 178.2690 0.1 . 1 . . . . . 113 ALA C . 28116 1 445 . 1 . 1 92 92 ALA CA C 13 52.7860 0.1 . 1 . . . . . 113 ALA CA . 28116 1 446 . 1 . 1 92 92 ALA CB C 13 19.2140 0.1 . 1 . . . . . 113 ALA CB . 28116 1 447 . 1 . 1 92 92 ALA N N 15 125.5670 0.1 . 1 . . . . . 113 ALA N . 28116 1 448 . 1 . 1 93 93 GLY H H 1 8.4660 0.02 . 1 . . . . . 114 GLY H . 28116 1 449 . 1 . 1 93 93 GLY C C 13 174.0240 0.1 . 1 . . . . . 114 GLY C . 28116 1 450 . 1 . 1 93 93 GLY CA C 13 45.1150 0.1 . 1 . . . . . 114 GLY CA . 28116 1 451 . 1 . 1 93 93 GLY N N 15 108.6550 0.1 . 1 . . . . . 114 GLY N . 28116 1 452 . 1 . 1 94 94 ALA H H 1 8.1820 0.02 . 1 . . . . . 115 ALA H . 28116 1 453 . 1 . 1 94 94 ALA C C 13 177.8140 0.1 . 1 . . . . . 115 ALA C . 28116 1 454 . 1 . 1 94 94 ALA CA C 13 52.5550 0.1 . 1 . . . . . 115 ALA CA . 28116 1 455 . 1 . 1 94 94 ALA CB C 13 19.3610 0.1 . 1 . . . . . 115 ALA CB . 28116 1 456 . 1 . 1 94 94 ALA N N 15 123.9410 0.1 . 1 . . . . . 115 ALA N . 28116 1 457 . 1 . 1 95 95 ALA H H 1 8.3660 0.02 . 1 . . . . . 116 ALA H . 28116 1 458 . 1 . 1 95 95 ALA C C 13 177.7670 0.1 . 1 . . . . . 116 ALA C . 28116 1 459 . 1 . 1 95 95 ALA CA C 13 52.4920 0.1 . 1 . . . . . 116 ALA CA . 28116 1 460 . 1 . 1 95 95 ALA CB C 13 19.1840 0.1 . 1 . . . . . 116 ALA CB . 28116 1 461 . 1 . 1 95 95 ALA N N 15 123.3390 0.1 . 1 . . . . . 116 ALA N . 28116 1 462 . 1 . 1 96 96 ALA H H 1 8.2690 0.02 . 1 . . . . . 117 ALA H . 28116 1 463 . 1 . 1 96 96 ALA C C 13 177.7000 0.1 . 1 . . . . . 117 ALA C . 28116 1 464 . 1 . 1 96 96 ALA CA C 13 52.3860 0.1 . 1 . . . . . 117 ALA CA . 28116 1 465 . 1 . 1 96 96 ALA CB C 13 19.1350 0.1 . 1 . . . . . 117 ALA CB . 28116 1 466 . 1 . 1 96 96 ALA N N 15 123.4590 0.1 . 1 . . . . . 117 ALA N . 28116 1 467 . 1 . 1 97 97 ALA H H 1 8.3130 0.02 . 1 . . . . . 118 ALA H . 28116 1 468 . 1 . 1 97 97 ALA C C 13 178.3860 0.1 . 1 . . . . . 118 ALA C . 28116 1 469 . 1 . 1 97 97 ALA CA C 13 52.7120 0.1 . 1 . . . . . 118 ALA CA . 28116 1 470 . 1 . 1 97 97 ALA CB C 13 19.1000 0.1 . 1 . . . . . 118 ALA CB . 28116 1 471 . 1 . 1 97 97 ALA N N 15 123.4500 0.1 . 1 . . . . . 118 ALA N . 28116 1 472 . 1 . 1 98 98 GLY H H 1 8.3640 0.02 . 1 . . . . . 119 GLY H . 28116 1 473 . 1 . 1 98 98 GLY C C 13 173.7420 0.1 . 1 . . . . . 119 GLY C . 28116 1 474 . 1 . 1 98 98 GLY CA C 13 45.0810 0.1 . 1 . . . . . 119 GLY CA . 28116 1 475 . 1 . 1 98 98 GLY N N 15 108.2140 0.1 . 1 . . . . . 119 GLY N . 28116 1 476 . 1 . 1 99 99 ALA H H 1 8.0850 0.02 . 1 . . . . . 120 ALA H . 28116 1 477 . 1 . 1 99 99 ALA C C 13 177.6960 0.1 . 1 . . . . . 120 ALA C . 28116 1 478 . 1 . 1 99 99 ALA CA C 13 52.3490 0.1 . 1 . . . . . 120 ALA CA . 28116 1 479 . 1 . 1 99 99 ALA CB C 13 19.4340 0.1 . 1 . . . . . 120 ALA CB . 28116 1 480 . 1 . 1 99 99 ALA N N 15 123.6660 0.1 . 1 . . . . . 120 ALA N . 28116 1 481 . 1 . 1 100 100 VAL H H 1 8.2390 0.02 . 1 . . . . . 121 VAL H . 28116 1 482 . 1 . 1 100 100 VAL C C 13 176.4660 0.1 . 1 . . . . . 121 VAL C . 28116 1 483 . 1 . 1 100 100 VAL CA C 13 62.1690 0.1 . 1 . . . . . 121 VAL CA . 28116 1 484 . 1 . 1 100 100 VAL CB C 13 32.8220 0.1 . 1 . . . . . 121 VAL CB . 28116 1 485 . 1 . 1 100 100 VAL N N 15 120.3350 0.1 . 1 . . . . . 121 VAL N . 28116 1 486 . 1 . 1 101 101 VAL H H 1 8.4150 0.02 . 1 . . . . . 122 VAL H . 28116 1 487 . 1 . 1 101 101 VAL C C 13 176.7220 0.1 . 1 . . . . . 122 VAL C . 28116 1 488 . 1 . 1 101 101 VAL CA C 13 62.5070 0.1 . 1 . . . . . 122 VAL CA . 28116 1 489 . 1 . 1 101 101 VAL CB C 13 32.7120 0.1 . 1 . . . . . 122 VAL CB . 28116 1 490 . 1 . 1 101 101 VAL N N 15 125.7210 0.1 . 1 . . . . . 122 VAL N . 28116 1 491 . 1 . 1 102 102 GLY H H 1 8.6270 0.02 . 1 . . . . . 123 GLY H . 28116 1 492 . 1 . 1 102 102 GLY C C 13 174.5920 0.1 . 1 . . . . . 123 GLY C . 28116 1 493 . 1 . 1 102 102 GLY CA C 13 45.1360 0.1 . 1 . . . . . 123 GLY CA . 28116 1 494 . 1 . 1 102 102 GLY N N 15 113.4970 0.1 . 1 . . . . . 123 GLY N . 28116 1 495 . 1 . 1 103 103 GLY H H 1 8.2940 0.02 . 1 . . . . . 124 GLY H . 28116 1 496 . 1 . 1 103 103 GLY C C 13 174.3750 0.1 . 1 . . . . . 124 GLY C . 28116 1 497 . 1 . 1 103 103 GLY CA C 13 45.1440 0.1 . 1 . . . . . 124 GLY CA . 28116 1 498 . 1 . 1 103 103 GLY N N 15 108.4660 0.1 . 1 . . . . . 124 GLY N . 28116 1 499 . 1 . 1 104 104 LEU H H 1 8.3740 0.02 . 1 . . . . . 125 LEU H . 28116 1 500 . 1 . 1 104 104 LEU C C 13 178.2510 0.1 . 1 . . . . . 125 LEU C . 28116 1 501 . 1 . 1 104 104 LEU CA C 13 55.3400 0.1 . 1 . . . . . 125 LEU CA . 28116 1 502 . 1 . 1 104 104 LEU CB C 13 42.2500 0.1 . 1 . . . . . 125 LEU CB . 28116 1 503 . 1 . 1 104 104 LEU N N 15 121.7270 0.1 . 1 . . . . . 125 LEU N . 28116 1 504 . 1 . 1 105 105 GLY H H 1 8.5750 0.02 . 1 . . . . . 126 GLY H . 28116 1 505 . 1 . 1 105 105 GLY C C 13 174.5830 0.1 . 1 . . . . . 126 GLY C . 28116 1 506 . 1 . 1 105 105 GLY CA C 13 45.4210 0.1 . 1 . . . . . 126 GLY CA . 28116 1 507 . 1 . 1 105 105 GLY N N 15 109.7000 0.1 . 1 . . . . . 126 GLY N . 28116 1 508 . 1 . 1 106 106 GLY H H 1 8.2260 0.02 . 1 . . . . . 127 GLY H . 28116 1 509 . 1 . 1 106 106 GLY C C 13 173.9480 0.1 . 1 . . . . . 127 GLY C . 28116 1 510 . 1 . 1 106 106 GLY CA C 13 45.1510 0.1 . 1 . . . . . 127 GLY CA . 28116 1 511 . 1 . 1 106 106 GLY N N 15 108.5190 0.1 . 1 . . . . . 127 GLY N . 28116 1 512 . 1 . 1 107 107 TYR H H 1 8.0950 0.02 . 1 . . . . . 128 TYR H . 28116 1 513 . 1 . 1 107 107 TYR C C 13 175.7900 0.1 . 1 . . . . . 128 TYR C . 28116 1 514 . 1 . 1 107 107 TYR CA C 13 58.0910 0.1 . 1 . . . . . 128 TYR CA . 28116 1 515 . 1 . 1 107 107 TYR CB C 13 38.7680 0.1 . 1 . . . . . 128 TYR CB . 28116 1 516 . 1 . 1 107 107 TYR N N 15 120.2110 0.1 . 1 . . . . . 128 TYR N . 28116 1 517 . 1 . 1 108 108 MET H H 1 8.3200 0.02 . 1 . . . . . 129 MET H . 28116 1 518 . 1 . 1 108 108 MET C C 13 175.8630 0.1 . 1 . . . . . 129 MET C . 28116 1 519 . 1 . 1 108 108 MET CA C 13 55.1110 0.1 . 1 . . . . . 129 MET CA . 28116 1 520 . 1 . 1 108 108 MET CB C 13 32.7300 0.1 . 1 . . . . . 129 MET CB . 28116 1 521 . 1 . 1 108 108 MET N N 15 122.4130 0.1 . 1 . . . . . 129 MET N . 28116 1 522 . 1 . 1 109 109 LEU H H 1 8.2120 0.02 . 1 . . . . . 130 LEU H . 28116 1 523 . 1 . 1 109 109 LEU C C 13 177.9740 0.1 . 1 . . . . . 130 LEU C . 28116 1 524 . 1 . 1 109 109 LEU CA C 13 55.5180 0.1 . 1 . . . . . 130 LEU CA . 28116 1 525 . 1 . 1 109 109 LEU CB C 13 42.1460 0.1 . 1 . . . . . 130 LEU CB . 28116 1 526 . 1 . 1 109 109 LEU N N 15 123.5180 0.1 . 1 . . . . . 130 LEU N . 28116 1 527 . 1 . 1 110 110 GLY H H 1 8.5200 0.02 . 1 . . . . . 131 GLY H . 28116 1 528 . 1 . 1 110 110 GLY C C 13 174.3450 0.1 . 1 . . . . . 131 GLY C . 28116 1 529 . 1 . 1 110 110 GLY CA C 13 45.3380 0.1 . 1 . . . . . 131 GLY CA . 28116 1 530 . 1 . 1 110 110 GLY N N 15 110.3450 0.1 . 1 . . . . . 131 GLY N . 28116 1 531 . 1 . 1 111 111 SER H H 1 8.2060 0.02 . 1 . . . . . 132 SER H . 28116 1 532 . 1 . 1 111 111 SER C C 13 174.6380 0.1 . 1 . . . . . 132 SER C . 28116 1 533 . 1 . 1 111 111 SER CA C 13 58.3160 0.1 . 1 . . . . . 132 SER CA . 28116 1 534 . 1 . 1 111 111 SER CB C 13 63.9070 0.1 . 1 . . . . . 132 SER CB . 28116 1 535 . 1 . 1 111 111 SER N N 15 115.6630 0.1 . 1 . . . . . 132 SER N . 28116 1 536 . 1 . 1 112 112 ALA H H 1 8.4840 0.02 . 1 . . . . . 133 ALA H . 28116 1 537 . 1 . 1 112 112 ALA C C 13 177.8840 0.1 . 1 . . . . . 133 ALA C . 28116 1 538 . 1 . 1 112 112 ALA CA C 13 52.8690 0.1 . 1 . . . . . 133 ALA CA . 28116 1 539 . 1 . 1 112 112 ALA CB C 13 19.0660 0.1 . 1 . . . . . 133 ALA CB . 28116 1 540 . 1 . 1 112 112 ALA N N 15 125.7510 0.1 . 1 . . . . . 133 ALA N . 28116 1 541 . 1 . 1 113 113 MET H H 1 8.2620 0.02 . 1 . . . . . 134 MET H . 28116 1 542 . 1 . 1 113 113 MET C C 13 176.2710 0.1 . 1 . . . . . 134 MET C . 28116 1 543 . 1 . 1 113 113 MET CA C 13 55.4800 0.1 . 1 . . . . . 134 MET CA . 28116 1 544 . 1 . 1 113 113 MET CB C 13 32.7450 0.1 . 1 . . . . . 134 MET CB . 28116 1 545 . 1 . 1 113 113 MET N N 15 118.5600 0.1 . 1 . . . . . 134 MET N . 28116 1 546 . 1 . 1 114 114 SER H H 1 8.2390 0.02 . 1 . . . . . 135 SER H . 28116 1 547 . 1 . 1 114 114 SER C C 13 173.9240 0.1 . 1 . . . . . 135 SER C . 28116 1 548 . 1 . 1 114 114 SER CA C 13 58.2610 0.1 . 1 . . . . . 135 SER CA . 28116 1 549 . 1 . 1 114 114 SER CB C 13 63.6500 0.1 . 1 . . . . . 135 SER CB . 28116 1 550 . 1 . 1 114 114 SER N N 15 116.9510 0.1 . 1 . . . . . 135 SER N . 28116 1 551 . 1 . 1 115 115 ARG H H 1 8.2940 0.02 . 1 . . . . . 136 ARG H . 28116 1 552 . 1 . 1 115 115 ARG CA C 13 53.9120 0.1 . 1 . . . . . 136 ARG CA . 28116 1 553 . 1 . 1 115 115 ARG CB C 13 30.2530 0.1 . 1 . . . . . 136 ARG CB . 28116 1 554 . 1 . 1 115 115 ARG N N 15 123.8910 0.1 . 1 . . . . . 136 ARG N . 28116 1 555 . 1 . 1 116 116 PRO C C 13 176.5320 0.1 . 1 . . . . . 137 PRO C . 28116 1 556 . 1 . 1 116 116 PRO CA C 13 62.9230 0.1 . 1 . . . . . 137 PRO CA . 28116 1 557 . 1 . 1 116 116 PRO CB C 13 32.1630 0.1 . 1 . . . . . 137 PRO CB . 28116 1 558 . 1 . 1 117 117 ILE H H 1 8.3580 0.02 . 1 . . . . . 138 ILE H . 28116 1 559 . 1 . 1 117 117 ILE C C 13 176.0370 0.1 . 1 . . . . . 138 ILE C . 28116 1 560 . 1 . 1 117 117 ILE CA C 13 61.0740 0.1 . 1 . . . . . 138 ILE CA . 28116 1 561 . 1 . 1 117 117 ILE CB C 13 38.5310 0.1 . 1 . . . . . 138 ILE CB . 28116 1 562 . 1 . 1 117 117 ILE N N 15 122.1310 0.1 . 1 . . . . . 138 ILE N . 28116 1 563 . 1 . 1 118 118 ILE H H 1 8.2310 0.02 . 1 . . . . . 139 ILE H . 28116 1 564 . 1 . 1 118 118 ILE C C 13 175.3830 0.1 . 1 . . . . . 139 ILE C . 28116 1 565 . 1 . 1 118 118 ILE CA C 13 60.4480 0.1 . 1 . . . . . 139 ILE CA . 28116 1 566 . 1 . 1 118 118 ILE CB C 13 38.5830 0.1 . 1 . . . . . 139 ILE CB . 28116 1 567 . 1 . 1 118 118 ILE N N 15 125.8870 0.1 . 1 . . . . . 139 ILE N . 28116 1 568 . 1 . 1 119 119 HIS H H 1 8.4600 0.02 . 1 . . . . . 140 HIS H . 28116 1 569 . 1 . 1 119 119 HIS C C 13 174.3480 0.1 . 1 . . . . . 140 HIS C . 28116 1 570 . 1 . 1 119 119 HIS CA C 13 55.4880 0.1 . 1 . . . . . 140 HIS CA . 28116 1 571 . 1 . 1 119 119 HIS CB C 13 30.6700 0.1 . 1 . . . . . 140 HIS CB . 28116 1 572 . 1 . 1 119 119 HIS N N 15 124.5940 0.1 . 1 . . . . . 140 HIS N . 28116 1 573 . 1 . 1 120 120 PHE H H 1 8.4530 0.02 . 1 . . . . . 141 PHE H . 28116 1 574 . 1 . 1 120 120 PHE C C 13 175.9970 0.1 . 1 . . . . . 141 PHE C . 28116 1 575 . 1 . 1 120 120 PHE CA C 13 57.9160 0.1 . 1 . . . . . 141 PHE CA . 28116 1 576 . 1 . 1 120 120 PHE CB C 13 39.8220 0.1 . 1 . . . . . 141 PHE CB . 28116 1 577 . 1 . 1 120 120 PHE N N 15 123.2270 0.1 . 1 . . . . . 141 PHE N . 28116 1 578 . 1 . 1 121 121 GLY H H 1 8.4250 0.02 . 1 . . . . . 142 GLY H . 28116 1 579 . 1 . 1 121 121 GLY C C 13 173.8330 0.1 . 1 . . . . . 142 GLY C . 28116 1 580 . 1 . 1 121 121 GLY CA C 13 45.1360 0.1 . 1 . . . . . 142 GLY CA . 28116 1 581 . 1 . 1 121 121 GLY N N 15 111.4620 0.1 . 1 . . . . . 142 GLY N . 28116 1 582 . 1 . 1 122 122 SER H H 1 8.2860 0.02 . 1 . . . . . 143 SER H . 28116 1 583 . 1 . 1 122 122 SER C C 13 173.5220 0.1 . 1 . . . . . 143 SER C . 28116 1 584 . 1 . 1 122 122 SER CA C 13 58.1530 0.1 . 1 . . . . . 143 SER CA . 28116 1 585 . 1 . 1 122 122 SER CB C 13 64.0610 0.1 . 1 . . . . . 143 SER CB . 28116 1 586 . 1 . 1 122 122 SER N N 15 115.8250 0.1 . 1 . . . . . 143 SER N . 28116 1 587 . 1 . 1 123 123 ASP H H 1 8.1830 0.02 . 1 . . . . . 144 ASP H . 28116 1 588 . 1 . 1 123 123 ASP CA C 13 55.9750 0.1 . 1 . . . . . 144 ASP CA . 28116 1 589 . 1 . 1 123 123 ASP CB C 13 42.0480 0.1 . 1 . . . . . 144 ASP CB . 28116 1 590 . 1 . 1 123 123 ASP N N 15 127.5510 0.1 . 1 . . . . . 144 ASP N . 28116 1 stop_ save_