################################### # 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 17958 _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-13C HSQC' . . . 17958 1 2 '2D 1H-15N HSQC' . . . 17958 1 3 '3D HNHA' . . . 17958 1 4 '3D CBCA(CO)NH' . . . 17958 1 5 '3D HCCH-TOCSY' . . . 17958 1 6 '3D HNCO' . . . 17958 1 7 '3D HNCACB' . . . 17958 1 10 '3D 1H-15N TOCSY' . . . 17958 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 LYS HA H 1 3.9470 0.02 . 1 . . . A 1 LYS HA . 17958 1 2 . 1 1 1 1 LYS HB2 H 1 1.8320 0.02 . 1 . . . A 1 LYS HB2 . 17958 1 3 . 1 1 1 1 LYS HB3 H 1 1.8280 0.02 . 1 . . . A 1 LYS HB3 . 17958 1 4 . 1 1 1 1 LYS HG2 H 1 1.3750 0.02 . 1 . . . A 1 LYS HG2 . 17958 1 5 . 1 1 1 1 LYS HG3 H 1 1.3490 0.02 . 1 . . . A 1 LYS HG3 . 17958 1 6 . 1 1 1 1 LYS HD2 H 1 1.7170 0.02 . 1 . . . A 1 LYS HD2 . 17958 1 7 . 1 1 1 1 LYS HD3 H 1 1.7160 0.02 . 1 . . . A 1 LYS HD3 . 17958 1 8 . 1 1 1 1 LYS HE2 H 1 2.9970 0.02 . 1 . . . A 1 LYS HE2 . 17958 1 9 . 1 1 1 1 LYS HE3 H 1 2.9980 0.02 . 1 . . . A 1 LYS HE3 . 17958 1 10 . 1 1 1 1 LYS C C 13 171.3010 0.2 . 1 . . . A 1 LYS C . 17958 1 11 . 1 1 1 1 LYS CA C 13 56.1390 0.2 . 1 . . . A 1 LYS CA . 17958 1 12 . 1 1 1 1 LYS CB C 13 32.9800 0.2 . 1 . . . A 1 LYS CB . 17958 1 13 . 1 1 1 1 LYS CG C 13 23.7610 0.2 . 1 . . . A 1 LYS CG . 17958 1 14 . 1 1 1 1 LYS CD C 13 28.7450 0.2 . 1 . . . A 1 LYS CD . 17958 1 15 . 1 1 2 2 TYR H H 1 8.2020 0.02 . 1 . . . A 2 TYR H . 17958 1 16 . 1 1 2 2 TYR HA H 1 4.5850 0.02 . 1 . . . A 2 TYR HA . 17958 1 17 . 1 1 2 2 TYR HB2 H 1 3.0510 0.02 . 1 . . . A 2 TYR HB2 . 17958 1 18 . 1 1 2 2 TYR HB3 H 1 2.9350 0.02 . 1 . . . A 2 TYR HB3 . 17958 1 19 . 1 1 2 2 TYR C C 13 174.9720 0.2 . 1 . . . A 2 TYR C . 17958 1 20 . 1 1 2 2 TYR CA C 13 58.1190 0.2 . 1 . . . A 2 TYR CA . 17958 1 21 . 1 1 2 2 TYR CB C 13 38.9650 0.2 . 1 . . . A 2 TYR CB . 17958 1 22 . 1 1 2 2 TYR N N 15 121.3770 0.2 . 1 . . . A 2 TYR N . 17958 1 23 . 1 1 3 3 TYR H H 1 7.6800 0.02 . 1 . . . A 3 TYR H . 17958 1 24 . 1 1 3 3 TYR HA H 1 4.5220 0.02 . 1 . . . A 3 TYR HA . 17958 1 25 . 1 1 3 3 TYR HB2 H 1 3.0940 0.02 . 1 . . . A 3 TYR HB2 . 17958 1 26 . 1 1 3 3 TYR HB3 H 1 2.8720 0.02 . 1 . . . A 3 TYR HB3 . 17958 1 27 . 1 1 3 3 TYR C C 13 175.8320 0.2 . 1 . . . A 3 TYR C . 17958 1 28 . 1 1 3 3 TYR CA C 13 58.1050 0.2 . 1 . . . A 3 TYR CA . 17958 1 29 . 1 1 3 3 TYR CB C 13 38.6830 0.2 . 1 . . . A 3 TYR CB . 17958 1 30 . 1 1 3 3 TYR N N 15 122.1590 0.2 . 1 . . . A 3 TYR N . 17958 1 31 . 1 1 4 4 GLY H H 1 6.9400 0.02 . 1 . . . A 4 GLY H . 17958 1 32 . 1 1 4 4 GLY HA2 H 1 3.9200 0.02 . 1 . . . A 4 GLY HA2 . 17958 1 33 . 1 1 4 4 GLY HA3 H 1 3.7670 0.02 . 1 . . . A 4 GLY HA3 . 17958 1 34 . 1 1 4 4 GLY C C 13 173.9590 0.2 . 1 . . . A 4 GLY C . 17958 1 35 . 1 1 4 4 GLY CA C 13 45.7330 0.2 . 1 . . . A 4 GLY CA . 17958 1 36 . 1 1 4 4 GLY N N 15 106.4930 0.2 . 1 . . . A 4 GLY N . 17958 1 37 . 1 1 5 5 ASN H H 1 7.9730 0.02 . 1 . . . A 5 ASN H . 17958 1 38 . 1 1 5 5 ASN HA H 1 4.7240 0.02 . 1 . . . A 5 ASN HA . 17958 1 39 . 1 1 5 5 ASN HB2 H 1 2.9110 0.02 . 1 . . . A 5 ASN HB2 . 17958 1 40 . 1 1 5 5 ASN HB3 H 1 2.9050 0.02 . 1 . . . A 5 ASN HB3 . 17958 1 41 . 1 1 5 5 ASN C C 13 176.3120 0.2 . 1 . . . A 5 ASN C . 17958 1 42 . 1 1 5 5 ASN CA C 13 54.2930 0.2 . 1 . . . A 5 ASN CA . 17958 1 43 . 1 1 5 5 ASN CB C 13 38.3490 0.2 . 1 . . . A 5 ASN CB . 17958 1 44 . 1 1 5 5 ASN N N 15 117.0750 0.2 . 1 . . . A 5 ASN N . 17958 1 45 . 1 1 6 6 GLY H H 1 8.2790 0.02 . 1 . . . A 6 GLY H . 17958 1 46 . 1 1 6 6 GLY HA2 H 1 3.9950 0.02 . 1 . . . A 6 GLY HA2 . 17958 1 47 . 1 1 6 6 GLY HA3 H 1 3.9410 0.02 . 1 . . . A 6 GLY HA3 . 17958 1 48 . 1 1 6 6 GLY C C 13 175.5280 0.2 . 1 . . . A 6 GLY C . 17958 1 49 . 1 1 6 6 GLY CA C 13 46.5230 0.2 . 1 . . . A 6 GLY CA . 17958 1 50 . 1 1 6 6 GLY N N 15 107.2790 0.2 . 1 . . . A 6 GLY N . 17958 1 51 . 1 1 7 7 VAL H H 1 7.8350 0.02 . 1 . . . A 7 VAL H . 17958 1 52 . 1 1 7 7 VAL HA H 1 3.8420 0.02 . 1 . . . A 7 VAL HA . 17958 1 53 . 1 1 7 7 VAL HB H 1 2.1580 0.02 . 1 . . . A 7 VAL HB . 17958 1 54 . 1 1 7 7 VAL HG11 H 1 1.0210 0.02 . 1 . . . A 7 VAL HG11 . 17958 1 55 . 1 1 7 7 VAL HG12 H 1 1.0210 0.02 . 1 . . . A 7 VAL HG12 . 17958 1 56 . 1 1 7 7 VAL HG13 H 1 1.0210 0.02 . 1 . . . A 7 VAL HG13 . 17958 1 57 . 1 1 7 7 VAL HG21 H 1 0.9440 0.02 . 1 . . . A 7 VAL HG21 . 17958 1 58 . 1 1 7 7 VAL HG22 H 1 0.9440 0.02 . 1 . . . A 7 VAL HG22 . 17958 1 59 . 1 1 7 7 VAL HG23 H 1 0.9440 0.02 . 1 . . . A 7 VAL HG23 . 17958 1 60 . 1 1 7 7 VAL C C 13 177.0590 0.2 . 1 . . . A 7 VAL C . 17958 1 61 . 1 1 7 7 VAL CA C 13 65.5940 0.2 . 1 . . . A 7 VAL CA . 17958 1 62 . 1 1 7 7 VAL CB C 13 32.0230 0.2 . 1 . . . A 7 VAL CB . 17958 1 63 . 1 1 7 7 VAL CG1 C 13 20.9530 0.2 . 1 . . . A 7 VAL CG1 . 17958 1 64 . 1 1 7 7 VAL CG2 C 13 20.2610 0.2 . 1 . . . A 7 VAL CG2 . 17958 1 65 . 1 1 7 7 VAL N N 15 121.5660 0.2 . 1 . . . A 7 VAL N . 17958 1 66 . 1 1 8 8 HIS H H 1 8.0930 0.02 . 1 . . . A 8 HIS H . 17958 1 67 . 1 1 8 8 HIS HA H 1 4.5260 0.02 . 1 . . . A 8 HIS HA . 17958 1 68 . 1 1 8 8 HIS HB2 H 1 3.3720 0.02 . 1 . . . A 8 HIS HB2 . 17958 1 69 . 1 1 8 8 HIS HB3 H 1 3.3650 0.02 . 1 . . . A 8 HIS HB3 . 17958 1 70 . 1 1 8 8 HIS C C 13 176.4790 0.2 . 1 . . . A 8 HIS C . 17958 1 71 . 1 1 8 8 HIS CA C 13 57.9520 0.2 . 1 . . . A 8 HIS CA . 17958 1 72 . 1 1 8 8 HIS CB C 13 28.3510 0.2 . 1 . . . A 8 HIS CB . 17958 1 73 . 1 1 8 8 HIS N N 15 117.8060 0.2 . 1 . . . A 8 HIS N . 17958 1 74 . 1 1 9 9 LEU H H 1 8.2550 0.02 . 1 . . . A 9 LEU H . 17958 1 75 . 1 1 9 9 LEU HA H 1 4.2340 0.02 . 1 . . . A 9 LEU HA . 17958 1 76 . 1 1 9 9 LEU HB2 H 1 1.8350 0.02 . 1 . . . A 9 LEU HB2 . 17958 1 77 . 1 1 9 9 LEU HB3 H 1 1.7150 0.02 . 1 . . . A 9 LEU HB3 . 17958 1 78 . 1 1 9 9 LEU HG H 1 1.7300 0.02 . 1 . . . A 9 LEU HG . 17958 1 79 . 1 1 9 9 LEU HD11 H 1 0.9560 0.02 . 1 . . . A 9 LEU HD11 . 17958 1 80 . 1 1 9 9 LEU HD12 H 1 0.9560 0.02 . 1 . . . A 9 LEU HD12 . 17958 1 81 . 1 1 9 9 LEU HD13 H 1 0.9560 0.02 . 1 . . . A 9 LEU HD13 . 17958 1 82 . 1 1 9 9 LEU HD21 H 1 0.9330 0.02 . 1 . . . A 9 LEU HD21 . 17958 1 83 . 1 1 9 9 LEU HD22 H 1 0.9330 0.02 . 1 . . . A 9 LEU HD22 . 17958 1 84 . 1 1 9 9 LEU HD23 H 1 0.9330 0.02 . 1 . . . A 9 LEU HD23 . 17958 1 85 . 1 1 9 9 LEU C C 13 178.4490 0.2 . 1 . . . A 9 LEU C . 17958 1 86 . 1 1 9 9 LEU CA C 13 57.7810 0.2 . 1 . . . A 9 LEU CA . 17958 1 87 . 1 1 9 9 LEU CB C 13 42.2540 0.2 . 1 . . . A 9 LEU CB . 17958 1 88 . 1 1 9 9 LEU CG C 13 27.0660 0.2 . 1 . . . A 9 LEU CG . 17958 1 89 . 1 1 9 9 LEU CD1 C 13 24.1060 0.2 . 1 . . . A 9 LEU CD1 . 17958 1 90 . 1 1 9 9 LEU CD2 C 13 22.6810 0.2 . 1 . . . A 9 LEU CD2 . 17958 1 91 . 1 1 9 9 LEU N N 15 120.8560 0.2 . 1 . . . A 9 LEU N . 17958 1 92 . 1 1 10 10 THR H H 1 8.0080 0.02 . 1 . . . A 10 THR H . 17958 1 93 . 1 1 10 10 THR HA H 1 4.1940 0.02 . 1 . . . A 10 THR HA . 17958 1 94 . 1 1 10 10 THR HB H 1 4.3820 0.02 . 1 . . . A 10 THR HB . 17958 1 95 . 1 1 10 10 THR HG21 H 1 1.3160 0.02 . 1 . . . A 10 THR HG21 . 17958 1 96 . 1 1 10 10 THR HG22 H 1 1.3160 0.02 . 1 . . . A 10 THR HG22 . 17958 1 97 . 1 1 10 10 THR HG23 H 1 1.3160 0.02 . 1 . . . A 10 THR HG23 . 17958 1 98 . 1 1 10 10 THR C C 13 175.6710 0.2 . 1 . . . A 10 THR C . 17958 1 99 . 1 1 10 10 THR CA C 13 65.1570 0.2 . 1 . . . A 10 THR CA . 17958 1 100 . 1 1 10 10 THR CB C 13 69.8500 0.2 . 1 . . . A 10 THR CB . 17958 1 101 . 1 1 10 10 THR CG2 C 13 20.5350 0.2 . 1 . . . A 10 THR CG2 . 17958 1 102 . 1 1 10 10 THR N N 15 113.9480 0.2 . 1 . . . A 10 THR N . 17958 1 103 . 1 1 11 11 LYS H H 1 8.3120 0.02 . 1 . . . A 11 LYS H . 17958 1 104 . 1 1 11 11 LYS HA H 1 4.1820 0.02 . 1 . . . A 11 LYS HA . 17958 1 105 . 1 1 11 11 LYS HB2 H 1 1.9570 0.02 . 1 . . . A 11 LYS HB2 . 17958 1 106 . 1 1 11 11 LYS HB3 H 1 1.9500 0.02 . 1 . . . A 11 LYS HB3 . 17958 1 107 . 1 1 11 11 LYS HG2 H 1 1.6390 0.02 . 1 . . . A 11 LYS HG2 . 17958 1 108 . 1 1 11 11 LYS HG3 H 1 1.4860 0.02 . 1 . . . A 11 LYS HG3 . 17958 1 109 . 1 1 11 11 LYS HD2 H 1 1.7180 0.02 . 1 . . . A 11 LYS HD2 . 17958 1 110 . 1 1 11 11 LYS HD3 H 1 1.7130 0.02 . 1 . . . A 11 LYS HD3 . 17958 1 111 . 1 1 11 11 LYS HE2 H 1 2.9880 0.02 . 1 . . . A 11 LYS HE2 . 17958 1 112 . 1 1 11 11 LYS HE3 H 1 2.9850 0.02 . 1 . . . A 11 LYS HE3 . 17958 1 113 . 1 1 11 11 LYS C C 13 178.4480 0.2 . 1 . . . A 11 LYS C . 17958 1 114 . 1 1 11 11 LYS CA C 13 59.1040 0.2 . 1 . . . A 11 LYS CA . 17958 1 115 . 1 1 11 11 LYS CB C 13 32.1650 0.2 . 1 . . . A 11 LYS CB . 17958 1 116 . 1 1 11 11 LYS CG C 13 25.1820 0.2 . 1 . . . A 11 LYS CG . 17958 1 117 . 1 1 11 11 LYS CD C 13 28.8750 0.2 . 1 . . . A 11 LYS CD . 17958 1 118 . 1 1 11 11 LYS CE C 13 42.1900 0.2 . 1 . . . A 11 LYS CE . 17958 1 119 . 1 1 11 11 LYS N N 15 120.2150 0.2 . 1 . . . A 11 LYS N . 17958 1 120 . 1 1 12 12 SER H H 1 8.0680 0.02 . 1 . . . A 12 SER H . 17958 1 121 . 1 1 12 12 SER HA H 1 4.3180 0.02 . 1 . . . A 12 SER HA . 17958 1 122 . 1 1 12 12 SER HB2 H 1 4.0790 0.02 . 1 . . . A 12 SER HB2 . 17958 1 123 . 1 1 12 12 SER HB3 H 1 3.9590 0.02 . 1 . . . A 12 SER HB3 . 17958 1 124 . 1 1 12 12 SER C C 13 175.6350 0.2 . 1 . . . A 12 SER C . 17958 1 125 . 1 1 12 12 SER CA C 13 61.1560 0.2 . 1 . . . A 12 SER CA . 17958 1 126 . 1 1 12 12 SER CB C 13 63.0740 0.2 . 1 . . . A 12 SER CB . 17958 1 127 . 1 1 12 12 SER N N 15 114.5970 0.2 . 1 . . . A 12 SER N . 17958 1 128 . 1 1 13 13 GLY H H 1 8.2160 0.02 . 1 . . . A 13 GLY H . 17958 1 129 . 1 1 13 13 GLY HA2 H 1 3.9510 0.02 . 1 . . . A 13 GLY HA2 . 17958 1 130 . 1 1 13 13 GLY C C 13 175.7760 0.2 . 1 . . . A 13 GLY C . 17958 1 131 . 1 1 13 13 GLY CA C 13 46.5710 0.2 . 1 . . . A 13 GLY CA . 17958 1 132 . 1 1 13 13 GLY N N 15 109.5630 0.2 . 1 . . . A 13 GLY N . 17958 1 133 . 1 1 14 14 LEU H H 1 8.1730 0.02 . 1 . . . A 14 LEU H . 17958 1 134 . 1 1 14 14 LEU HA H 1 4.3120 0.02 . 1 . . . A 14 LEU HA . 17958 1 135 . 1 1 14 14 LEU HB2 H 1 1.8560 0.02 . 1 . . . A 14 LEU HB2 . 17958 1 136 . 1 1 14 14 LEU HB3 H 1 1.6020 0.02 . 1 . . . A 14 LEU HB3 . 17958 1 137 . 1 1 14 14 LEU HG H 1 1.8180 0.02 . 1 . . . A 14 LEU HG . 17958 1 138 . 1 1 14 14 LEU HD11 H 1 0.9610 0.02 . 1 . . . A 14 LEU HD11 . 17958 1 139 . 1 1 14 14 LEU HD12 H 1 0.9610 0.02 . 1 . . . A 14 LEU HD12 . 17958 1 140 . 1 1 14 14 LEU HD13 H 1 0.9610 0.02 . 1 . . . A 14 LEU HD13 . 17958 1 141 . 1 1 14 14 LEU HD21 H 1 0.9440 0.02 . 1 . . . A 14 LEU HD21 . 17958 1 142 . 1 1 14 14 LEU HD22 H 1 0.9440 0.02 . 1 . . . A 14 LEU HD22 . 17958 1 143 . 1 1 14 14 LEU HD23 H 1 0.9440 0.02 . 1 . . . A 14 LEU HD23 . 17958 1 144 . 1 1 14 14 LEU C C 13 178.6240 0.2 . 1 . . . A 14 LEU C . 17958 1 145 . 1 1 14 14 LEU CA C 13 57.4840 0.2 . 1 . . . A 14 LEU CA . 17958 1 146 . 1 1 14 14 LEU CB C 13 42.0610 0.2 . 1 . . . A 14 LEU CB . 17958 1 147 . 1 1 14 14 LEU CG C 13 26.9090 0.2 . 1 . . . A 14 LEU CG . 17958 1 148 . 1 1 14 14 LEU CD1 C 13 24.2800 0.2 . 1 . . . A 14 LEU CD1 . 17958 1 149 . 1 1 14 14 LEU CD2 C 13 24.2800 0.2 . 1 . . . A 14 LEU CD2 . 17958 1 150 . 1 1 14 14 LEU N N 15 121.3460 0.2 . 1 . . . A 14 LEU N . 17958 1 151 . 1 1 15 15 SER H H 1 7.9450 0.02 . 1 . . . A 15 SER H . 17958 1 152 . 1 1 15 15 SER HA H 1 4.3850 0.02 . 1 . . . A 15 SER HA . 17958 1 153 . 1 1 15 15 SER HB2 H 1 4.1620 0.02 . 1 . . . A 15 SER HB2 . 17958 1 154 . 1 1 15 15 SER HB3 H 1 4.0140 0.02 . 1 . . . A 15 SER HB3 . 17958 1 155 . 1 1 15 15 SER C C 13 175.9640 0.2 . 1 . . . A 15 SER C . 17958 1 156 . 1 1 15 15 SER CA C 13 61.2010 0.2 . 1 . . . A 15 SER CA . 17958 1 157 . 1 1 15 15 SER CB C 13 63.3970 0.2 . 1 . . . A 15 SER CB . 17958 1 158 . 1 1 15 15 SER N N 15 113.7950 0.2 . 1 . . . A 15 SER N . 17958 1 159 . 1 1 16 16 VAL H H 1 7.9130 0.02 . 1 . . . A 16 VAL H . 17958 1 160 . 1 1 16 16 VAL HA H 1 3.9920 0.02 . 1 . . . A 16 VAL HA . 17958 1 161 . 1 1 16 16 VAL HB H 1 2.1670 0.02 . 1 . . . A 16 VAL HB . 17958 1 162 . 1 1 16 16 VAL HG11 H 1 1.0780 0.02 . 1 . . . A 16 VAL HG11 . 17958 1 163 . 1 1 16 16 VAL HG12 H 1 1.0780 0.02 . 1 . . . A 16 VAL HG12 . 17958 1 164 . 1 1 16 16 VAL HG13 H 1 1.0780 0.02 . 1 . . . A 16 VAL HG13 . 17958 1 165 . 1 1 16 16 VAL HG21 H 1 0.9450 0.02 . 1 . . . A 16 VAL HG21 . 17958 1 166 . 1 1 16 16 VAL HG22 H 1 0.9450 0.02 . 1 . . . A 16 VAL HG22 . 17958 1 167 . 1 1 16 16 VAL HG23 H 1 0.9450 0.02 . 1 . . . A 16 VAL HG23 . 17958 1 168 . 1 1 16 16 VAL C C 13 177.1760 0.2 . 1 . . . A 16 VAL C . 17958 1 169 . 1 1 16 16 VAL CA C 13 65.4190 0.2 . 1 . . . A 16 VAL CA . 17958 1 170 . 1 1 16 16 VAL CB C 13 32.0140 0.2 . 1 . . . A 16 VAL CB . 17958 1 171 . 1 1 16 16 VAL CG1 C 13 21.1330 0.2 . 1 . . . A 16 VAL CG1 . 17958 1 172 . 1 1 16 16 VAL CG2 C 13 20.2630 0.2 . 1 . . . A 16 VAL CG2 . 17958 1 173 . 1 1 16 16 VAL N N 15 121.9650 0.2 . 1 . . . A 16 VAL N . 17958 1 174 . 1 1 17 17 ASN H H 1 8.0010 0.02 . 1 . . . A 17 ASN H . 17958 1 175 . 1 1 17 17 ASN HA H 1 4.6320 0.02 . 1 . . . A 17 ASN HA . 17958 1 176 . 1 1 17 17 ASN HB2 H 1 2.9430 0.02 . 1 . . . A 17 ASN HB2 . 17958 1 177 . 1 1 17 17 ASN HB3 H 1 2.8890 0.02 . 1 . . . A 17 ASN HB3 . 17958 1 178 . 1 1 17 17 ASN C C 13 176.9300 0.2 . 1 . . . A 17 ASN C . 17958 1 179 . 1 1 17 17 ASN CA C 13 55.8560 0.2 . 1 . . . A 17 ASN CA . 17958 1 180 . 1 1 17 17 ASN CB C 13 38.6350 0.2 . 1 . . . A 17 ASN CB . 17958 1 181 . 1 1 17 17 ASN N N 15 118.7540 0.2 . 1 . . . A 17 ASN N . 17958 1 182 . 1 1 18 18 TRP H H 1 8.4080 0.02 . 1 . . . A 18 TRP H . 17958 1 183 . 1 1 18 18 TRP HA H 1 4.4750 0.02 . 1 . . . A 18 TRP HA . 17958 1 184 . 1 1 18 18 TRP HB2 H 1 3.4430 0.02 . 1 . . . A 18 TRP HB2 . 17958 1 185 . 1 1 18 18 TRP C C 13 177.7780 0.2 . 1 . . . A 18 TRP C . 17958 1 186 . 1 1 18 18 TRP CA C 13 60.6370 0.2 . 1 . . . A 18 TRP CA . 17958 1 187 . 1 1 18 18 TRP CB C 13 28.8400 0.2 . 1 . . . A 18 TRP CB . 17958 1 188 . 1 1 18 18 TRP N N 15 120.8110 0.2 . 1 . . . A 18 TRP N . 17958 1 189 . 1 1 19 19 GLY H H 1 8.3950 0.02 . 1 . . . A 19 GLY H . 17958 1 190 . 1 1 19 19 GLY HA2 H 1 3.9710 0.02 . 1 . . . A 19 GLY HA2 . 17958 1 191 . 1 1 19 19 GLY HA3 H 1 3.8400 0.02 . 1 . . . A 19 GLY HA3 . 17958 1 192 . 1 1 19 19 GLY C C 13 177.0370 0.2 . 1 . . . A 19 GLY C . 17958 1 193 . 1 1 19 19 GLY CA C 13 47.2130 0.2 . 1 . . . A 19 GLY CA . 17958 1 194 . 1 1 19 19 GLY N N 15 105.5980 0.2 . 1 . . . A 19 GLY N . 17958 1 195 . 1 1 20 20 GLU H H 1 8.3450 0.02 . 1 . . . A 20 GLU H . 17958 1 196 . 1 1 20 20 GLU HA H 1 4.1530 0.02 . 1 . . . A 20 GLU HA . 17958 1 197 . 1 1 20 20 GLU HB2 H 1 2.3500 0.02 . 1 . . . A 20 GLU HB2 . 17958 1 198 . 1 1 20 20 GLU HB3 H 1 2.1940 0.02 . 1 . . . A 20 GLU HB3 . 17958 1 199 . 1 1 20 20 GLU HG2 H 1 2.6980 0.02 . 1 . . . A 20 GLU HG2 . 17958 1 200 . 1 1 20 20 GLU HG3 H 1 2.5300 0.02 . 1 . . . A 20 GLU HG3 . 17958 1 201 . 1 1 20 20 GLU C C 13 177.7920 0.2 . 1 . . . A 20 GLU C . 17958 1 202 . 1 1 20 20 GLU CA C 13 59.0980 0.2 . 1 . . . A 20 GLU CA . 17958 1 203 . 1 1 20 20 GLU CB C 13 27.9260 0.2 . 1 . . . A 20 GLU CB . 17958 1 204 . 1 1 20 20 GLU CG C 13 32.6580 0.2 . 1 . . . A 20 GLU CG . 17958 1 205 . 1 1 20 20 GLU N N 15 121.6560 0.2 . 1 . . . A 20 GLU N . 17958 1 206 . 1 1 21 21 ALA H H 1 8.0650 0.02 . 1 . . . A 21 ALA H . 17958 1 207 . 1 1 21 21 ALA HA H 1 4.1060 0.02 . 1 . . . A 21 ALA HA . 17958 1 208 . 1 1 21 21 ALA HB1 H 1 1.5170 0.02 . 1 . . . A 21 ALA HB1 . 17958 1 209 . 1 1 21 21 ALA HB2 H 1 1.5170 0.02 . 1 . . . A 21 ALA HB2 . 17958 1 210 . 1 1 21 21 ALA HB3 H 1 1.5170 0.02 . 1 . . . A 21 ALA HB3 . 17958 1 211 . 1 1 21 21 ALA C C 13 180.5520 0.2 . 1 . . . A 21 ALA C . 17958 1 212 . 1 1 21 21 ALA CA C 13 55.3300 0.2 . 1 . . . A 21 ALA CA . 17958 1 213 . 1 1 21 21 ALA CB C 13 17.4530 0.2 . 1 . . . A 21 ALA CB . 17958 1 214 . 1 1 21 21 ALA N N 15 122.6880 0.2 . 1 . . . A 21 ALA N . 17958 1 215 . 1 1 22 22 PHE H H 1 8.8560 0.02 . 1 . . . A 22 PHE H . 17958 1 216 . 1 1 22 22 PHE HA H 1 4.1660 0.02 . 1 . . . A 22 PHE HA . 17958 1 217 . 1 1 22 22 PHE HB2 H 1 2.9050 0.02 . 1 . . . A 22 PHE HB2 . 17958 1 218 . 1 1 22 22 PHE HB3 H 1 2.6830 0.02 . 1 . . . A 22 PHE HB3 . 17958 1 219 . 1 1 22 22 PHE C C 13 177.8770 0.2 . 1 . . . A 22 PHE C . 17958 1 220 . 1 1 22 22 PHE CA C 13 61.1030 0.2 . 1 . . . A 22 PHE CA . 17958 1 221 . 1 1 22 22 PHE CB C 13 38.9860 0.2 . 1 . . . A 22 PHE CB . 17958 1 222 . 1 1 22 22 PHE N N 15 119.8650 0.2 . 1 . . . A 22 PHE N . 17958 1 223 . 1 1 23 23 SER H H 1 8.2380 0.02 . 1 . . . A 23 SER H . 17958 1 224 . 1 1 23 23 SER HA H 1 4.1120 0.02 . 1 . . . A 23 SER HA . 17958 1 225 . 1 1 23 23 SER HB2 H 1 4.1470 0.02 . 1 . . . A 23 SER HB2 . 17958 1 226 . 1 1 23 23 SER HB3 H 1 4.0520 0.02 . 1 . . . A 23 SER HB3 . 17958 1 227 . 1 1 23 23 SER C C 13 177.3010 0.2 . 1 . . . A 23 SER C . 17958 1 228 . 1 1 23 23 SER CA C 13 61.5550 0.2 . 1 . . . A 23 SER CA . 17958 1 229 . 1 1 23 23 SER CB C 13 63.0240 0.2 . 1 . . . A 23 SER CB . 17958 1 230 . 1 1 23 23 SER N N 15 113.3330 0.2 . 1 . . . A 23 SER N . 17958 1 231 . 1 1 24 24 ALA H H 1 8.4370 0.02 . 1 . . . A 24 ALA H . 17958 1 232 . 1 1 24 24 ALA HA H 1 4.1570 0.02 . 1 . . . A 24 ALA HA . 17958 1 233 . 1 1 24 24 ALA HB1 H 1 1.5530 0.02 . 1 . . . A 24 ALA HB1 . 17958 1 234 . 1 1 24 24 ALA HB2 H 1 1.5530 0.02 . 1 . . . A 24 ALA HB2 . 17958 1 235 . 1 1 24 24 ALA HB3 H 1 1.5530 0.02 . 1 . . . A 24 ALA HB3 . 17958 1 236 . 1 1 24 24 ALA C C 13 180.1360 0.2 . 1 . . . A 24 ALA C . 17958 1 237 . 1 1 24 24 ALA CA C 13 55.5710 0.2 . 1 . . . A 24 ALA CA . 17958 1 238 . 1 1 24 24 ALA CB C 13 17.4200 0.2 . 1 . . . A 24 ALA CB . 17958 1 239 . 1 1 24 24 ALA N N 15 125.8340 0.2 . 1 . . . A 24 ALA N . 17958 1 240 . 1 1 25 25 GLY H H 1 8.0380 0.02 . 1 . . . A 25 GLY H . 17958 1 241 . 1 1 25 25 GLY HA2 H 1 3.9170 0.02 . 1 . . . A 25 GLY HA2 . 17958 1 242 . 1 1 25 25 GLY HA3 H 1 3.8000 0.02 . 1 . . . A 25 GLY HA3 . 17958 1 243 . 1 1 25 25 GLY C C 13 175.9660 0.2 . 1 . . . A 25 GLY C . 17958 1 244 . 1 1 25 25 GLY CA C 13 47.1040 0.2 . 1 . . . A 25 GLY CA . 17958 1 245 . 1 1 25 25 GLY N N 15 106.1830 0.2 . 1 . . . A 25 GLY N . 17958 1 246 . 1 1 26 26 VAL H H 1 8.0930 0.02 . 1 . . . A 26 VAL H . 17958 1 247 . 1 1 26 26 VAL HA H 1 3.6480 0.02 . 1 . . . A 26 VAL HA . 17958 1 248 . 1 1 26 26 VAL HB H 1 1.9360 0.02 . 1 . . . A 26 VAL HB . 17958 1 249 . 1 1 26 26 VAL HG11 H 1 0.7810 0.02 . 1 . . . A 26 VAL HG11 . 17958 1 250 . 1 1 26 26 VAL HG12 H 1 0.7810 0.02 . 1 . . . A 26 VAL HG12 . 17958 1 251 . 1 1 26 26 VAL HG13 H 1 0.7810 0.02 . 1 . . . A 26 VAL HG13 . 17958 1 252 . 1 1 26 26 VAL HG21 H 1 0.7180 0.02 . 1 . . . A 26 VAL HG21 . 17958 1 253 . 1 1 26 26 VAL HG22 H 1 0.7180 0.02 . 1 . . . A 26 VAL HG22 . 17958 1 254 . 1 1 26 26 VAL HG23 H 1 0.7180 0.02 . 1 . . . A 26 VAL HG23 . 17958 1 255 . 1 1 26 26 VAL C C 13 178.0380 0.2 . 1 . . . A 26 VAL C . 17958 1 256 . 1 1 26 26 VAL CA C 13 66.5690 0.2 . 1 . . . A 26 VAL CA . 17958 1 257 . 1 1 26 26 VAL CB C 13 31.5560 0.2 . 1 . . . A 26 VAL CB . 17958 1 258 . 1 1 26 26 VAL CG1 C 13 20.2550 0.2 . 1 . . . A 26 VAL CG1 . 17958 1 259 . 1 1 26 26 VAL CG2 C 13 21.7470 0.2 . 1 . . . A 26 VAL CG2 . 17958 1 260 . 1 1 26 26 VAL N N 15 120.8360 0.2 . 1 . . . A 26 VAL N . 17958 1 261 . 1 1 27 27 HIS H H 1 8.0050 0.02 . 1 . . . A 27 HIS H . 17958 1 262 . 1 1 27 27 HIS HA H 1 4.2220 0.02 . 1 . . . A 27 HIS HA . 17958 1 263 . 1 1 27 27 HIS HB2 H 1 3.2960 0.02 . 1 . . . A 27 HIS HB2 . 17958 1 264 . 1 1 27 27 HIS HB3 H 1 3.3020 0.02 . 1 . . . A 27 HIS HB3 . 17958 1 265 . 1 1 27 27 HIS C C 13 176.4460 0.2 . 1 . . . A 27 HIS C . 17958 1 266 . 1 1 27 27 HIS CA C 13 59.7030 0.2 . 1 . . . A 27 HIS CA . 17958 1 267 . 1 1 27 27 HIS CB C 13 27.4950 0.2 . 1 . . . A 27 HIS CB . 17958 1 268 . 1 1 27 27 HIS N N 15 115.1160 0.2 . 1 . . . A 27 HIS N . 17958 1 269 . 1 1 28 28 ARG H H 1 8.0900 0.02 . 1 . . . A 28 ARG H . 17958 1 270 . 1 1 28 28 ARG HA H 1 4.1450 0.02 . 1 . . . A 28 ARG HA . 17958 1 271 . 1 1 28 28 ARG HB2 H 1 2.2930 0.02 . 1 . . . A 28 ARG HB2 . 17958 1 272 . 1 1 28 28 ARG HB3 H 1 2.0320 0.02 . 1 . . . A 28 ARG HB3 . 17958 1 273 . 1 1 28 28 ARG HG2 H 1 1.7990 0.02 . 1 . . . A 28 ARG HG2 . 17958 1 274 . 1 1 28 28 ARG HG3 H 1 1.6620 0.02 . 1 . . . A 28 ARG HG3 . 17958 1 275 . 1 1 28 28 ARG HD2 H 1 3.1940 0.02 . 1 . . . A 28 ARG HD2 . 17958 1 276 . 1 1 28 28 ARG HD3 H 1 3.2010 0.02 . 1 . . . A 28 ARG HD3 . 17958 1 277 . 1 1 28 28 ARG C C 13 178.3900 0.2 . 1 . . . A 28 ARG C . 17958 1 278 . 1 1 28 28 ARG CA C 13 59.2110 0.2 . 1 . . . A 28 ARG CA . 17958 1 279 . 1 1 28 28 ARG CB C 13 29.5030 0.2 . 1 . . . A 28 ARG CB . 17958 1 280 . 1 1 28 28 ARG CG C 13 27.3960 0.2 . 1 . . . A 28 ARG CG . 17958 1 281 . 1 1 28 28 ARG CD C 13 43.1500 0.2 . 1 . . . A 28 ARG CD . 17958 1 282 . 1 1 28 28 ARG N N 15 119.0210 0.2 . 1 . . . A 28 ARG N . 17958 1 283 . 1 1 29 29 LEU H H 1 8.0570 0.02 . 1 . . . A 29 LEU H . 17958 1 284 . 1 1 29 29 LEU HA H 1 4.1570 0.02 . 1 . . . A 29 LEU HA . 17958 1 285 . 1 1 29 29 LEU HB2 H 1 1.8660 0.02 . 1 . . . A 29 LEU HB2 . 17958 1 286 . 1 1 29 29 LEU HB3 H 1 1.6480 0.02 . 1 . . . A 29 LEU HB3 . 17958 1 287 . 1 1 29 29 LEU HG H 1 1.7860 0.02 . 1 . . . A 29 LEU HG . 17958 1 288 . 1 1 29 29 LEU HD11 H 1 0.9130 0.02 . 1 . . . A 29 LEU HD11 . 17958 1 289 . 1 1 29 29 LEU HD12 H 1 0.9130 0.02 . 1 . . . A 29 LEU HD12 . 17958 1 290 . 1 1 29 29 LEU HD13 H 1 0.9130 0.02 . 1 . . . A 29 LEU HD13 . 17958 1 291 . 1 1 29 29 LEU HD21 H 1 0.9060 0.02 . 1 . . . A 29 LEU HD21 . 17958 1 292 . 1 1 29 29 LEU HD22 H 1 0.9060 0.02 . 1 . . . A 29 LEU HD22 . 17958 1 293 . 1 1 29 29 LEU HD23 H 1 0.9060 0.02 . 1 . . . A 29 LEU HD23 . 17958 1 294 . 1 1 29 29 LEU C C 13 179.1760 0.2 . 1 . . . A 29 LEU C . 17958 1 295 . 1 1 29 29 LEU CA C 13 57.4460 0.2 . 1 . . . A 29 LEU CA . 17958 1 296 . 1 1 29 29 LEU CB C 13 42.0460 0.2 . 1 . . . A 29 LEU CB . 17958 1 297 . 1 1 29 29 LEU CG C 13 27.0040 0.2 . 1 . . . A 29 LEU CG . 17958 1 298 . 1 1 29 29 LEU CD1 C 13 23.9560 0.2 . 1 . . . A 29 LEU CD1 . 17958 1 299 . 1 1 29 29 LEU CD2 C 13 22.6040 0.2 . 1 . . . A 29 LEU CD2 . 17958 1 300 . 1 1 29 29 LEU N N 15 120.2080 0.2 . 1 . . . A 29 LEU N . 17958 1 301 . 1 1 30 30 ALA H H 1 8.2420 0.02 . 1 . . . A 30 ALA H . 17958 1 302 . 1 1 30 30 ALA HA H 1 4.1970 0.02 . 1 . . . A 30 ALA HA . 17958 1 303 . 1 1 30 30 ALA HB1 H 1 1.4480 0.02 . 1 . . . A 30 ALA HB1 . 17958 1 304 . 1 1 30 30 ALA HB2 H 1 1.4480 0.02 . 1 . . . A 30 ALA HB2 . 17958 1 305 . 1 1 30 30 ALA HB3 H 1 1.4480 0.02 . 1 . . . A 30 ALA HB3 . 17958 1 306 . 1 1 30 30 ALA C C 13 178.3500 0.2 . 1 . . . A 30 ALA C . 17958 1 307 . 1 1 30 30 ALA CA C 13 53.8430 0.2 . 1 . . . A 30 ALA CA . 17958 1 308 . 1 1 30 30 ALA CB C 13 17.8330 0.2 . 1 . . . A 30 ALA CB . 17958 1 309 . 1 1 30 30 ALA N N 15 120.6040 0.2 . 1 . . . A 30 ALA N . 17958 1 310 . 1 1 31 31 ASN H H 1 7.7980 0.02 . 1 . . . A 31 ASN H . 17958 1 311 . 1 1 31 31 ASN HA H 1 4.7580 0.02 . 1 . . . A 31 ASN HA . 17958 1 312 . 1 1 31 31 ASN HB2 H 1 2.9660 0.02 . 1 . . . A 31 ASN HB2 . 17958 1 313 . 1 1 31 31 ASN HB3 H 1 2.8160 0.02 . 1 . . . A 31 ASN HB3 . 17958 1 314 . 1 1 31 31 ASN C C 13 175.9960 0.2 . 1 . . . A 31 ASN C . 17958 1 315 . 1 1 31 31 ASN CA C 13 53.3390 0.2 . 1 . . . A 31 ASN CA . 17958 1 316 . 1 1 31 31 ASN CB C 13 39.0960 0.2 . 1 . . . A 31 ASN CB . 17958 1 317 . 1 1 31 31 ASN N N 15 114.6060 0.2 . 1 . . . A 31 ASN N . 17958 1 318 . 1 1 32 32 GLY H H 1 8.0210 0.02 . 1 . . . A 32 GLY H . 17958 1 319 . 1 1 32 32 GLY HA3 H 1 3.9280 0.02 . 1 . . . A 32 GLY HA3 . 17958 1 320 . 1 1 32 32 GLY C C 13 174.8240 0.2 . 1 . . . A 32 GLY C . 17958 1 321 . 1 1 32 32 GLY CA C 13 45.9020 0.2 . 1 . . . A 32 GLY CA . 17958 1 322 . 1 1 32 32 GLY N N 15 106.8040 0.2 . 1 . . . A 32 GLY N . 17958 1 323 . 1 1 33 33 GLY H H 1 8.1560 0.02 . 1 . . . A 33 GLY H . 17958 1 324 . 1 1 33 33 GLY HA2 H 1 4.0170 0.02 . 1 . . . A 33 GLY HA2 . 17958 1 325 . 1 1 33 33 GLY HA3 H 1 3.8490 0.02 . 1 . . . A 33 GLY HA3 . 17958 1 326 . 1 1 33 33 GLY C C 13 173.8000 0.2 . 1 . . . A 33 GLY C . 17958 1 327 . 1 1 33 33 GLY CA C 13 45.4120 0.2 . 1 . . . A 33 GLY CA . 17958 1 328 . 1 1 33 33 GLY N N 15 107.1260 0.2 . 1 . . . A 33 GLY N . 17958 1 329 . 1 1 34 34 ASN H H 1 7.7770 0.02 . 1 . . . A 34 ASN H . 17958 1 330 . 1 1 34 34 ASN HA H 1 4.7390 0.02 . 1 . . . A 34 ASN HA . 17958 1 331 . 1 1 34 34 ASN HB2 H 1 2.8380 0.02 . 1 . . . A 34 ASN HB2 . 17958 1 332 . 1 1 34 34 ASN C C 13 175.0530 0.2 . 1 . . . A 34 ASN C . 17958 1 333 . 1 1 34 34 ASN CA C 13 53.1700 0.2 . 1 . . . A 34 ASN CA . 17958 1 334 . 1 1 34 34 ASN CB C 13 38.8570 0.2 . 1 . . . A 34 ASN CB . 17958 1 335 . 1 1 34 34 ASN N N 15 116.9720 0.2 . 1 . . . A 34 ASN N . 17958 1 336 . 1 1 35 35 GLY H H 1 7.8750 0.02 . 1 . . . A 35 GLY H . 17958 1 337 . 1 1 35 35 GLY HA2 H 1 3.8290 0.02 . 1 . . . A 35 GLY HA2 . 17958 1 338 . 1 1 35 35 GLY HA3 H 1 3.7150 0.02 . 1 . . . A 35 GLY HA3 . 17958 1 339 . 1 1 35 35 GLY C C 13 173.2010 0.2 . 1 . . . A 35 GLY C . 17958 1 340 . 1 1 35 35 GLY CA C 13 45.0650 0.2 . 1 . . . A 35 GLY CA . 17958 1 341 . 1 1 35 35 GLY N N 15 106.7580 0.2 . 1 . . . A 35 GLY N . 17958 1 342 . 1 1 36 36 PHE H H 1 7.5370 0.02 . 1 . . . A 36 PHE H . 17958 1 343 . 1 1 36 36 PHE HA H 1 4.5800 0.02 . 1 . . . A 36 PHE HA . 17958 1 344 . 1 1 36 36 PHE HB2 H 1 3.0510 0.02 . 1 . . . A 36 PHE HB2 . 17958 1 345 . 1 1 36 36 PHE HB3 H 1 2.9350 0.02 . 1 . . . A 36 PHE HB3 . 17958 1 346 . 1 1 36 36 PHE C C 13 174.9250 0.2 . 1 . . . A 36 PHE C . 17958 1 347 . 1 1 36 36 PHE CA C 13 57.9750 0.2 . 1 . . . A 36 PHE CA . 17958 1 348 . 1 1 36 36 PHE CB C 13 39.5420 0.2 . 1 . . . A 36 PHE CB . 17958 1 349 . 1 1 36 36 PHE N N 15 118.4860 0.2 . 1 . . . A 36 PHE N . 17958 1 350 . 1 1 37 37 TRP H H 1 7.4450 0.02 . 1 . . . A 37 TRP H . 17958 1 351 . 1 1 37 37 TRP HA H 1 4.7910 0.02 . 1 . . . A 37 TRP HA . 17958 1 352 . 1 1 37 37 TRP HB2 H 1 3.3900 0.02 . 1 . . . A 37 TRP HB2 . 17958 1 353 . 1 1 37 37 TRP HB3 H 1 3.3060 0.02 . 1 . . . A 37 TRP HB3 . 17958 1 354 . 1 1 37 37 TRP CA C 13 55.9450 0.2 . 1 . . . A 37 TRP CA . 17958 1 355 . 1 1 37 37 TRP CB C 13 29.2430 0.2 . 1 . . . A 37 TRP CB . 17958 1 356 . 1 1 37 37 TRP N N 15 119.5980 0.2 . 1 . . . A 37 TRP N . 17958 1 stop_ save_