################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11380 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11380 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11380 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 $XWINNMR . . 11380 1 2 $NMRPipe . . 11380 1 3 $NMRView . . 11380 1 4 $Kujira . . 11380 1 5 $CYANA . . 11380 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 8 8 SER HA H 1 4.455 0.030 . 1 . . . . 8 SER HA . 11380 1 2 . 1 1 8 8 SER HB2 H 1 3.799 0.030 . 2 . . . . 8 SER HB2 . 11380 1 3 . 1 1 8 8 SER C C 13 174.591 0.300 . 1 . . . . 8 SER C . 11380 1 4 . 1 1 8 8 SER CA C 13 58.058 0.300 . 1 . . . . 8 SER CA . 11380 1 5 . 1 1 8 8 SER CB C 13 63.870 0.300 . 1 . . . . 8 SER CB . 11380 1 6 . 1 1 9 9 VAL H H 1 8.102 0.030 . 1 . . . . 9 VAL H . 11380 1 7 . 1 1 9 9 VAL HA H 1 4.066 0.030 . 1 . . . . 9 VAL HA . 11380 1 8 . 1 1 9 9 VAL HB H 1 2.059 0.030 . 1 . . . . 9 VAL HB . 11380 1 9 . 1 1 9 9 VAL HG11 H 1 0.907 0.030 . 1 . . . . 9 VAL HG1 . 11380 1 10 . 1 1 9 9 VAL HG12 H 1 0.907 0.030 . 1 . . . . 9 VAL HG1 . 11380 1 11 . 1 1 9 9 VAL HG13 H 1 0.907 0.030 . 1 . . . . 9 VAL HG1 . 11380 1 12 . 1 1 9 9 VAL HG21 H 1 0.894 0.030 . 1 . . . . 9 VAL HG2 . 11380 1 13 . 1 1 9 9 VAL HG22 H 1 0.894 0.030 . 1 . . . . 9 VAL HG2 . 11380 1 14 . 1 1 9 9 VAL HG23 H 1 0.894 0.030 . 1 . . . . 9 VAL HG2 . 11380 1 15 . 1 1 9 9 VAL C C 13 176.650 0.300 . 1 . . . . 9 VAL C . 11380 1 16 . 1 1 9 9 VAL CA C 13 62.592 0.300 . 1 . . . . 9 VAL CA . 11380 1 17 . 1 1 9 9 VAL CB C 13 32.550 0.300 . 1 . . . . 9 VAL CB . 11380 1 18 . 1 1 9 9 VAL CG1 C 13 20.457 0.300 . 2 . . . . 9 VAL CG1 . 11380 1 19 . 1 1 9 9 VAL CG2 C 13 21.026 0.300 . 2 . . . . 9 VAL CG2 . 11380 1 20 . 1 1 9 9 VAL N N 15 121.664 0.300 . 1 . . . . 9 VAL N . 11380 1 21 . 1 1 10 10 GLY H H 1 8.425 0.030 . 1 . . . . 10 GLY H . 11380 1 22 . 1 1 10 10 GLY HA2 H 1 3.838 0.030 . 2 . . . . 10 GLY HA2 . 11380 1 23 . 1 1 10 10 GLY HA3 H 1 3.875 0.030 . 2 . . . . 10 GLY HA3 . 11380 1 24 . 1 1 10 10 GLY C C 13 173.832 0.300 . 1 . . . . 10 GLY C . 11380 1 25 . 1 1 10 10 GLY CA C 13 45.223 0.300 . 1 . . . . 10 GLY CA . 11380 1 26 . 1 1 10 10 GLY N N 15 112.178 0.300 . 1 . . . . 10 GLY N . 11380 1 27 . 1 1 11 11 LYS H H 1 7.981 0.030 . 1 . . . . 11 LYS H . 11380 1 28 . 1 1 11 11 LYS HA H 1 4.438 0.030 . 1 . . . . 11 LYS HA . 11380 1 29 . 1 1 11 11 LYS HB2 H 1 1.469 0.030 . 2 . . . . 11 LYS HB2 . 11380 1 30 . 1 1 11 11 LYS HB3 H 1 1.371 0.030 . 2 . . . . 11 LYS HB3 . 11380 1 31 . 1 1 11 11 LYS HD2 H 1 1.358 0.030 . 2 . . . . 11 LYS HD2 . 11380 1 32 . 1 1 11 11 LYS HD3 H 1 1.464 0.030 . 2 . . . . 11 LYS HD3 . 11380 1 33 . 1 1 11 11 LYS HE2 H 1 2.853 0.030 . 1 . . . . 11 LYS HE2 . 11380 1 34 . 1 1 11 11 LYS HE3 H 1 2.853 0.030 . 1 . . . . 11 LYS HE3 . 11380 1 35 . 1 1 11 11 LYS HG2 H 1 1.235 0.030 . 2 . . . . 11 LYS HG2 . 11380 1 36 . 1 1 11 11 LYS HG3 H 1 1.086 0.030 . 2 . . . . 11 LYS HG3 . 11380 1 37 . 1 1 11 11 LYS C C 13 174.108 0.300 . 1 . . . . 11 LYS C . 11380 1 38 . 1 1 11 11 LYS CA C 13 53.549 0.300 . 1 . . . . 11 LYS CA . 11380 1 39 . 1 1 11 11 LYS CB C 13 32.611 0.300 . 1 . . . . 11 LYS CB . 11380 1 40 . 1 1 11 11 LYS CD C 13 29.288 0.300 . 1 . . . . 11 LYS CD . 11380 1 41 . 1 1 11 11 LYS CE C 13 42.129 0.300 . 1 . . . . 11 LYS CE . 11380 1 42 . 1 1 11 11 LYS CG C 13 24.759 0.300 . 1 . . . . 11 LYS CG . 11380 1 43 . 1 1 11 11 LYS N N 15 120.742 0.300 . 1 . . . . 11 LYS N . 11380 1 44 . 1 1 12 12 PRO HA H 1 4.264 0.030 . 1 . . . . 12 PRO HA . 11380 1 45 . 1 1 12 12 PRO HB2 H 1 1.968 0.030 . 2 . . . . 12 PRO HB2 . 11380 1 46 . 1 1 12 12 PRO HB3 H 1 1.317 0.030 . 2 . . . . 12 PRO HB3 . 11380 1 47 . 1 1 12 12 PRO HD2 H 1 3.589 0.030 . 2 . . . . 12 PRO HD2 . 11380 1 48 . 1 1 12 12 PRO HD3 H 1 3.547 0.030 . 2 . . . . 12 PRO HD3 . 11380 1 49 . 1 1 12 12 PRO HG2 H 1 1.566 0.030 . 2 . . . . 12 PRO HG2 . 11380 1 50 . 1 1 12 12 PRO HG3 H 1 1.836 0.030 . 2 . . . . 12 PRO HG3 . 11380 1 51 . 1 1 12 12 PRO C C 13 176.373 0.300 . 1 . . . . 12 PRO C . 11380 1 52 . 1 1 12 12 PRO CA C 13 63.498 0.300 . 1 . . . . 12 PRO CA . 11380 1 53 . 1 1 12 12 PRO CB C 13 32.031 0.300 . 1 . . . . 12 PRO CB . 11380 1 54 . 1 1 12 12 PRO CD C 13 50.089 0.300 . 1 . . . . 12 PRO CD . 11380 1 55 . 1 1 12 12 PRO CG C 13 26.576 0.300 . 1 . . . . 12 PRO CG . 11380 1 56 . 1 1 13 13 TYR H H 1 7.839 0.030 . 1 . . . . 13 TYR H . 11380 1 57 . 1 1 13 13 TYR HA H 1 4.533 0.030 . 1 . . . . 13 TYR HA . 11380 1 58 . 1 1 13 13 TYR HB2 H 1 2.875 0.030 . 2 . . . . 13 TYR HB2 . 11380 1 59 . 1 1 13 13 TYR HB3 H 1 2.756 0.030 . 2 . . . . 13 TYR HB3 . 11380 1 60 . 1 1 13 13 TYR HD1 H 1 6.989 0.030 . 1 . . . . 13 TYR HD1 . 11380 1 61 . 1 1 13 13 TYR HD2 H 1 6.989 0.030 . 1 . . . . 13 TYR HD2 . 11380 1 62 . 1 1 13 13 TYR HE1 H 1 6.811 0.030 . 1 . . . . 13 TYR HE1 . 11380 1 63 . 1 1 13 13 TYR HE2 H 1 6.811 0.030 . 1 . . . . 13 TYR HE2 . 11380 1 64 . 1 1 13 13 TYR C C 13 174.353 0.300 . 1 . . . . 13 TYR C . 11380 1 65 . 1 1 13 13 TYR CA C 13 57.745 0.300 . 1 . . . . 13 TYR CA . 11380 1 66 . 1 1 13 13 TYR CB C 13 37.788 0.300 . 1 . . . . 13 TYR CB . 11380 1 67 . 1 1 13 13 TYR CD1 C 13 133.185 0.300 . 1 . . . . 13 TYR CD1 . 11380 1 68 . 1 1 13 13 TYR CD2 C 13 133.185 0.300 . 1 . . . . 13 TYR CD2 . 11380 1 69 . 1 1 13 13 TYR CE1 C 13 118.213 0.300 . 1 . . . . 13 TYR CE1 . 11380 1 70 . 1 1 13 13 TYR CE2 C 13 118.213 0.300 . 1 . . . . 13 TYR CE2 . 11380 1 71 . 1 1 13 13 TYR N N 15 119.092 0.300 . 1 . . . . 13 TYR N . 11380 1 72 . 1 1 14 14 ILE H H 1 8.350 0.030 . 1 . . . . 14 ILE H . 11380 1 73 . 1 1 14 14 ILE HA H 1 4.565 0.030 . 1 . . . . 14 ILE HA . 11380 1 74 . 1 1 14 14 ILE HB H 1 1.649 0.030 . 1 . . . . 14 ILE HB . 11380 1 75 . 1 1 14 14 ILE HD11 H 1 0.687 0.030 . 1 . . . . 14 ILE HD1 . 11380 1 76 . 1 1 14 14 ILE HD12 H 1 0.687 0.030 . 1 . . . . 14 ILE HD1 . 11380 1 77 . 1 1 14 14 ILE HD13 H 1 0.687 0.030 . 1 . . . . 14 ILE HD1 . 11380 1 78 . 1 1 14 14 ILE HG12 H 1 1.328 0.030 . 2 . . . . 14 ILE HG12 . 11380 1 79 . 1 1 14 14 ILE HG13 H 1 1.031 0.030 . 2 . . . . 14 ILE HG13 . 11380 1 80 . 1 1 14 14 ILE HG21 H 1 0.619 0.030 . 1 . . . . 14 ILE HG2 . 11380 1 81 . 1 1 14 14 ILE HG22 H 1 0.619 0.030 . 1 . . . . 14 ILE HG2 . 11380 1 82 . 1 1 14 14 ILE HG23 H 1 0.619 0.030 . 1 . . . . 14 ILE HG2 . 11380 1 83 . 1 1 14 14 ILE C C 13 175.822 0.300 . 1 . . . . 14 ILE C . 11380 1 84 . 1 1 14 14 ILE CA C 13 59.436 0.300 . 1 . . . . 14 ILE CA . 11380 1 85 . 1 1 14 14 ILE CB C 13 39.789 0.300 . 1 . . . . 14 ILE CB . 11380 1 86 . 1 1 14 14 ILE CD1 C 13 12.116 0.300 . 1 . . . . 14 ILE CD1 . 11380 1 87 . 1 1 14 14 ILE CG1 C 13 27.470 0.300 . 1 . . . . 14 ILE CG1 . 11380 1 88 . 1 1 14 14 ILE CG2 C 13 16.987 0.300 . 1 . . . . 14 ILE CG2 . 11380 1 89 . 1 1 14 14 ILE N N 15 125.308 0.300 . 1 . . . . 14 ILE N . 11380 1 90 . 1 1 15 15 CYS H H 1 9.167 0.030 . 1 . . . . 15 CYS H . 11380 1 91 . 1 1 15 15 CYS HA H 1 4.482 0.030 . 1 . . . . 15 CYS HA . 11380 1 92 . 1 1 15 15 CYS HB2 H 1 3.335 0.030 . 2 . . . . 15 CYS HB2 . 11380 1 93 . 1 1 15 15 CYS HB3 H 1 2.857 0.030 . 2 . . . . 15 CYS HB3 . 11380 1 94 . 1 1 15 15 CYS C C 13 177.416 0.300 . 1 . . . . 15 CYS C . 11380 1 95 . 1 1 15 15 CYS CA C 13 59.996 0.300 . 1 . . . . 15 CYS CA . 11380 1 96 . 1 1 15 15 CYS CB C 13 29.374 0.300 . 1 . . . . 15 CYS CB . 11380 1 97 . 1 1 15 15 CYS N N 15 129.557 0.300 . 1 . . . . 15 CYS N . 11380 1 98 . 1 1 16 16 GLN H H 1 9.619 0.030 . 1 . . . . 16 GLN H . 11380 1 99 . 1 1 16 16 GLN HA H 1 4.114 0.030 . 1 . . . . 16 GLN HA . 11380 1 100 . 1 1 16 16 GLN HB2 H 1 2.197 0.030 . 2 . . . . 16 GLN HB2 . 11380 1 101 . 1 1 16 16 GLN HB3 H 1 2.062 0.030 . 2 . . . . 16 GLN HB3 . 11380 1 102 . 1 1 16 16 GLN HE21 H 1 6.916 0.030 . 2 . . . . 16 GLN HE21 . 11380 1 103 . 1 1 16 16 GLN HE22 H 1 7.426 0.030 . 2 . . . . 16 GLN HE22 . 11380 1 104 . 1 1 16 16 GLN HG2 H 1 2.488 0.030 . 1 . . . . 16 GLN HG2 . 11380 1 105 . 1 1 16 16 GLN HG3 H 1 2.488 0.030 . 1 . . . . 16 GLN HG3 . 11380 1 106 . 1 1 16 16 GLN C C 13 176.472 0.300 . 1 . . . . 16 GLN C . 11380 1 107 . 1 1 16 16 GLN CA C 13 57.727 0.300 . 1 . . . . 16 GLN CA . 11380 1 108 . 1 1 16 16 GLN CB C 13 28.533 0.300 . 1 . . . . 16 GLN CB . 11380 1 109 . 1 1 16 16 GLN CG C 13 34.083 0.300 . 1 . . . . 16 GLN CG . 11380 1 110 . 1 1 16 16 GLN N N 15 131.731 0.300 . 1 . . . . 16 GLN N . 11380 1 111 . 1 1 16 16 GLN NE2 N 15 112.852 0.300 . 1 . . . . 16 GLN NE2 . 11380 1 112 . 1 1 17 17 SER H H 1 8.734 0.030 . 1 . . . . 17 SER H . 11380 1 113 . 1 1 17 17 SER HA H 1 4.371 0.030 . 1 . . . . 17 SER HA . 11380 1 114 . 1 1 17 17 SER HB2 H 1 3.100 0.030 . 2 . . . . 17 SER HB2 . 11380 1 115 . 1 1 17 17 SER HB3 H 1 2.757 0.030 . 2 . . . . 17 SER HB3 . 11380 1 116 . 1 1 17 17 SER C C 13 174.756 0.300 . 1 . . . . 17 SER C . 11380 1 117 . 1 1 17 17 SER CA C 13 61.274 0.300 . 1 . . . . 17 SER CA . 11380 1 118 . 1 1 17 17 SER CB C 13 62.046 0.300 . 1 . . . . 17 SER CB . 11380 1 119 . 1 1 17 17 SER N N 15 116.303 0.300 . 1 . . . . 17 SER N . 11380 1 120 . 1 1 18 18 CYS H H 1 8.083 0.030 . 1 . . . . 18 CYS H . 11380 1 121 . 1 1 18 18 CYS HA H 1 5.178 0.030 . 1 . . . . 18 CYS HA . 11380 1 122 . 1 1 18 18 CYS HB2 H 1 3.410 0.030 . 2 . . . . 18 CYS HB2 . 11380 1 123 . 1 1 18 18 CYS HB3 H 1 2.914 0.030 . 2 . . . . 18 CYS HB3 . 11380 1 124 . 1 1 18 18 CYS C C 13 175.965 0.300 . 1 . . . . 18 CYS C . 11380 1 125 . 1 1 18 18 CYS CA C 13 58.708 0.300 . 1 . . . . 18 CYS CA . 11380 1 126 . 1 1 18 18 CYS CB C 13 32.658 0.300 . 1 . . . . 18 CYS CB . 11380 1 127 . 1 1 18 18 CYS N N 15 117.056 0.300 . 1 . . . . 18 CYS N . 11380 1 128 . 1 1 19 19 GLY H H 1 8.243 0.030 . 1 . . . . 19 GLY H . 11380 1 129 . 1 1 19 19 GLY HA2 H 1 4.149 0.030 . 2 . . . . 19 GLY HA2 . 11380 1 130 . 1 1 19 19 GLY HA3 H 1 3.664 0.030 . 2 . . . . 19 GLY HA3 . 11380 1 131 . 1 1 19 19 GLY C C 13 173.441 0.300 . 1 . . . . 19 GLY C . 11380 1 132 . 1 1 19 19 GLY CA C 13 46.088 0.300 . 1 . . . . 19 GLY CA . 11380 1 133 . 1 1 19 19 GLY N N 15 113.725 0.300 . 1 . . . . 19 GLY N . 11380 1 134 . 1 1 20 20 LYS H H 1 7.918 0.030 . 1 . . . . 20 LYS H . 11380 1 135 . 1 1 20 20 LYS HA H 1 3.933 0.030 . 1 . . . . 20 LYS HA . 11380 1 136 . 1 1 20 20 LYS HB2 H 1 1.463 0.030 . 2 . . . . 20 LYS HB2 . 11380 1 137 . 1 1 20 20 LYS HB3 H 1 1.229 0.030 . 2 . . . . 20 LYS HB3 . 11380 1 138 . 1 1 20 20 LYS HD2 H 1 1.503 0.030 . 2 . . . . 20 LYS HD2 . 11380 1 139 . 1 1 20 20 LYS HD3 H 1 1.403 0.030 . 2 . . . . 20 LYS HD3 . 11380 1 140 . 1 1 20 20 LYS HE2 H 1 2.917 0.030 . 2 . . . . 20 LYS HE2 . 11380 1 141 . 1 1 20 20 LYS HE3 H 1 2.858 0.030 . 2 . . . . 20 LYS HE3 . 11380 1 142 . 1 1 20 20 LYS HG2 H 1 1.001 0.030 . 2 . . . . 20 LYS HG2 . 11380 1 143 . 1 1 20 20 LYS HG3 H 1 1.365 0.030 . 2 . . . . 20 LYS HG3 . 11380 1 144 . 1 1 20 20 LYS C C 13 174.588 0.300 . 1 . . . . 20 LYS C . 11380 1 145 . 1 1 20 20 LYS CA C 13 58.058 0.300 . 1 . . . . 20 LYS CA . 11380 1 146 . 1 1 20 20 LYS CB C 13 33.801 0.300 . 1 . . . . 20 LYS CB . 11380 1 147 . 1 1 20 20 LYS CD C 13 29.369 0.300 . 1 . . . . 20 LYS CD . 11380 1 148 . 1 1 20 20 LYS CE C 13 42.253 0.300 . 1 . . . . 20 LYS CE . 11380 1 149 . 1 1 20 20 LYS CG C 13 26.116 0.300 . 1 . . . . 20 LYS CG . 11380 1 150 . 1 1 20 20 LYS N N 15 123.036 0.300 . 1 . . . . 20 LYS N . 11380 1 151 . 1 1 21 21 GLY H H 1 7.932 0.030 . 1 . . . . 21 GLY H . 11380 1 152 . 1 1 21 21 GLY HA2 H 1 4.915 0.030 . 2 . . . . 21 GLY HA2 . 11380 1 153 . 1 1 21 21 GLY HA3 H 1 3.249 0.030 . 2 . . . . 21 GLY HA3 . 11380 1 154 . 1 1 21 21 GLY C C 13 172.562 0.300 . 1 . . . . 21 GLY C . 11380 1 155 . 1 1 21 21 GLY CA C 13 44.174 0.300 . 1 . . . . 21 GLY CA . 11380 1 156 . 1 1 21 21 GLY N N 15 108.569 0.300 . 1 . . . . 21 GLY N . 11380 1 157 . 1 1 22 22 PHE H H 1 8.788 0.030 . 1 . . . . 22 PHE H . 11380 1 158 . 1 1 22 22 PHE HA H 1 4.768 0.030 . 1 . . . . 22 PHE HA . 11380 1 159 . 1 1 22 22 PHE HB2 H 1 3.447 0.030 . 2 . . . . 22 PHE HB2 . 11380 1 160 . 1 1 22 22 PHE HB3 H 1 2.825 0.030 . 2 . . . . 22 PHE HB3 . 11380 1 161 . 1 1 22 22 PHE HD1 H 1 7.320 0.030 . 1 . . . . 22 PHE HD1 . 11380 1 162 . 1 1 22 22 PHE HD2 H 1 7.320 0.030 . 1 . . . . 22 PHE HD2 . 11380 1 163 . 1 1 22 22 PHE HE1 H 1 6.797 0.030 . 1 . . . . 22 PHE HE1 . 11380 1 164 . 1 1 22 22 PHE HE2 H 1 6.797 0.030 . 1 . . . . 22 PHE HE2 . 11380 1 165 . 1 1 22 22 PHE HZ H 1 6.165 0.030 . 1 . . . . 22 PHE HZ . 11380 1 166 . 1 1 22 22 PHE C C 13 175.578 0.300 . 1 . . . . 22 PHE C . 11380 1 167 . 1 1 22 22 PHE CA C 13 57.246 0.300 . 1 . . . . 22 PHE CA . 11380 1 168 . 1 1 22 22 PHE CB C 13 43.805 0.300 . 1 . . . . 22 PHE CB . 11380 1 169 . 1 1 22 22 PHE CD1 C 13 132.480 0.300 . 1 . . . . 22 PHE CD1 . 11380 1 170 . 1 1 22 22 PHE CD2 C 13 132.480 0.300 . 1 . . . . 22 PHE CD2 . 11380 1 171 . 1 1 22 22 PHE CE1 C 13 130.772 0.300 . 1 . . . . 22 PHE CE1 . 11380 1 172 . 1 1 22 22 PHE CE2 C 13 130.772 0.300 . 1 . . . . 22 PHE CE2 . 11380 1 173 . 1 1 22 22 PHE CZ C 13 128.615 0.300 . 1 . . . . 22 PHE CZ . 11380 1 174 . 1 1 22 22 PHE N N 15 117.851 0.300 . 1 . . . . 22 PHE N . 11380 1 175 . 1 1 23 23 SER H H 1 9.774 0.030 . 1 . . . . 23 SER H . 11380 1 176 . 1 1 23 23 SER HA H 1 4.711 0.030 . 1 . . . . 23 SER HA . 11380 1 177 . 1 1 23 23 SER HB2 H 1 4.114 0.030 . 2 . . . . 23 SER HB2 . 11380 1 178 . 1 1 23 23 SER HB3 H 1 4.058 0.030 . 2 . . . . 23 SER HB3 . 11380 1 179 . 1 1 23 23 SER C C 13 173.960 0.300 . 1 . . . . 23 SER C . 11380 1 180 . 1 1 23 23 SER CA C 13 60.148 0.300 . 1 . . . . 23 SER CA . 11380 1 181 . 1 1 23 23 SER CB C 13 64.490 0.300 . 1 . . . . 23 SER CB . 11380 1 182 . 1 1 23 23 SER N N 15 116.001 0.300 . 1 . . . . 23 SER N . 11380 1 183 . 1 1 24 24 ARG H H 1 7.192 0.030 . 1 . . . . 24 ARG H . 11380 1 184 . 1 1 24 24 ARG HA H 1 4.738 0.030 . 1 . . . . 24 ARG HA . 11380 1 185 . 1 1 24 24 ARG HB2 H 1 1.873 0.030 . 2 . . . . 24 ARG HB2 . 11380 1 186 . 1 1 24 24 ARG HB3 H 1 0.877 0.030 . 2 . . . . 24 ARG HB3 . 11380 1 187 . 1 1 24 24 ARG HD2 H 1 2.780 0.030 . 2 . . . . 24 ARG HD2 . 11380 1 188 . 1 1 24 24 ARG HD3 H 1 3.079 0.030 . 2 . . . . 24 ARG HD3 . 11380 1 189 . 1 1 24 24 ARG HG2 H 1 1.344 0.030 . 2 . . . . 24 ARG HG2 . 11380 1 190 . 1 1 24 24 ARG HG3 H 1 1.525 0.030 . 2 . . . . 24 ARG HG3 . 11380 1 191 . 1 1 24 24 ARG C C 13 174.855 0.300 . 1 . . . . 24 ARG C . 11380 1 192 . 1 1 24 24 ARG CA C 13 52.650 0.300 . 1 . . . . 24 ARG CA . 11380 1 193 . 1 1 24 24 ARG CB C 13 33.486 0.300 . 1 . . . . 24 ARG CB . 11380 1 194 . 1 1 24 24 ARG CD C 13 43.439 0.300 . 1 . . . . 24 ARG CD . 11380 1 195 . 1 1 24 24 ARG CG C 13 26.275 0.300 . 1 . . . . 24 ARG CG . 11380 1 196 . 1 1 24 24 ARG N N 15 117.224 0.300 . 1 . . . . 24 ARG N . 11380 1 197 . 1 1 25 25 PRO HA H 1 3.470 0.030 . 1 . . . . 25 PRO HA . 11380 1 198 . 1 1 25 25 PRO HB2 H 1 1.752 0.030 . 1 . . . . 25 PRO HB2 . 11380 1 199 . 1 1 25 25 PRO HB3 H 1 1.752 0.030 . 1 . . . . 25 PRO HB3 . 11380 1 200 . 1 1 25 25 PRO HD2 H 1 3.032 0.030 . 2 . . . . 25 PRO HD2 . 11380 1 201 . 1 1 25 25 PRO HD3 H 1 3.533 0.030 . 2 . . . . 25 PRO HD3 . 11380 1 202 . 1 1 25 25 PRO HG2 H 1 1.876 0.030 . 2 . . . . 25 PRO HG2 . 11380 1 203 . 1 1 25 25 PRO HG3 H 1 1.514 0.030 . 2 . . . . 25 PRO HG3 . 11380 1 204 . 1 1 25 25 PRO C C 13 178.102 0.300 . 1 . . . . 25 PRO C . 11380 1 205 . 1 1 25 25 PRO CA C 13 64.466 0.300 . 1 . . . . 25 PRO CA . 11380 1 206 . 1 1 25 25 PRO CB C 13 31.083 0.300 . 1 . . . . 25 PRO CB . 11380 1 207 . 1 1 25 25 PRO CD C 13 50.083 0.300 . 1 . . . . 25 PRO CD . 11380 1 208 . 1 1 25 25 PRO CG C 13 26.538 0.300 . 1 . . . . 25 PRO CG . 11380 1 209 . 1 1 26 26 ASP H H 1 8.618 0.030 . 1 . . . . 26 ASP H . 11380 1 210 . 1 1 26 26 ASP HA H 1 4.287 0.030 . 1 . . . . 26 ASP HA . 11380 1 211 . 1 1 26 26 ASP HB2 H 1 2.500 0.030 . 2 . . . . 26 ASP HB2 . 11380 1 212 . 1 1 26 26 ASP HB3 H 1 2.666 0.030 . 2 . . . . 26 ASP HB3 . 11380 1 213 . 1 1 26 26 ASP C C 13 179.416 0.300 . 1 . . . . 26 ASP C . 11380 1 214 . 1 1 26 26 ASP CA C 13 56.125 0.300 . 1 . . . . 26 ASP CA . 11380 1 215 . 1 1 26 26 ASP CB C 13 38.236 0.300 . 1 . . . . 26 ASP CB . 11380 1 216 . 1 1 26 26 ASP N N 15 116.090 0.300 . 1 . . . . 26 ASP N . 11380 1 217 . 1 1 27 27 HIS H H 1 7.029 0.030 . 1 . . . . 27 HIS H . 11380 1 218 . 1 1 27 27 HIS HA H 1 4.498 0.030 . 1 . . . . 27 HIS HA . 11380 1 219 . 1 1 27 27 HIS HB2 H 1 3.282 0.030 . 1 . . . . 27 HIS HB2 . 11380 1 220 . 1 1 27 27 HIS HB3 H 1 3.282 0.030 . 1 . . . . 27 HIS HB3 . 11380 1 221 . 1 1 27 27 HIS HD2 H 1 6.855 0.030 . 1 . . . . 27 HIS HD2 . 11380 1 222 . 1 1 27 27 HIS HE1 H 1 7.773 0.030 . 1 . . . . 27 HIS HE1 . 11380 1 223 . 1 1 27 27 HIS C C 13 178.172 0.300 . 1 . . . . 27 HIS C . 11380 1 224 . 1 1 27 27 HIS CA C 13 56.808 0.300 . 1 . . . . 27 HIS CA . 11380 1 225 . 1 1 27 27 HIS CB C 13 31.689 0.300 . 1 . . . . 27 HIS CB . 11380 1 226 . 1 1 27 27 HIS CD2 C 13 116.577 0.300 . 1 . . . . 27 HIS CD2 . 11380 1 227 . 1 1 27 27 HIS CE1 C 13 139.024 0.300 . 1 . . . . 27 HIS CE1 . 11380 1 228 . 1 1 27 27 HIS N N 15 121.052 0.300 . 1 . . . . 27 HIS N . 11380 1 229 . 1 1 28 28 LEU H H 1 6.877 0.030 . 1 . . . . 28 LEU H . 11380 1 230 . 1 1 28 28 LEU HA H 1 3.169 0.030 . 1 . . . . 28 LEU HA . 11380 1 231 . 1 1 28 28 LEU HB2 H 1 1.892 0.030 . 2 . . . . 28 LEU HB2 . 11380 1 232 . 1 1 28 28 LEU HB3 H 1 1.257 0.030 . 2 . . . . 28 LEU HB3 . 11380 1 233 . 1 1 28 28 LEU HD11 H 1 0.993 0.030 . 1 . . . . 28 LEU HD1 . 11380 1 234 . 1 1 28 28 LEU HD12 H 1 0.993 0.030 . 1 . . . . 28 LEU HD1 . 11380 1 235 . 1 1 28 28 LEU HD13 H 1 0.993 0.030 . 1 . . . . 28 LEU HD1 . 11380 1 236 . 1 1 28 28 LEU HD21 H 1 1.037 0.030 . 1 . . . . 28 LEU HD2 . 11380 1 237 . 1 1 28 28 LEU HD22 H 1 1.037 0.030 . 1 . . . . 28 LEU HD2 . 11380 1 238 . 1 1 28 28 LEU HD23 H 1 1.037 0.030 . 1 . . . . 28 LEU HD2 . 11380 1 239 . 1 1 28 28 LEU HG H 1 1.572 0.030 . 1 . . . . 28 LEU HG . 11380 1 240 . 1 1 28 28 LEU C C 13 177.189 0.300 . 1 . . . . 28 LEU C . 11380 1 241 . 1 1 28 28 LEU CA C 13 57.896 0.300 . 1 . . . . 28 LEU CA . 11380 1 242 . 1 1 28 28 LEU CB C 13 39.999 0.300 . 1 . . . . 28 LEU CB . 11380 1 243 . 1 1 28 28 LEU CD1 C 13 26.373 0.300 . 2 . . . . 28 LEU CD1 . 11380 1 244 . 1 1 28 28 LEU CD2 C 13 22.519 0.300 . 2 . . . . 28 LEU CD2 . 11380 1 245 . 1 1 28 28 LEU CG C 13 27.538 0.300 . 1 . . . . 28 LEU CG . 11380 1 246 . 1 1 28 28 LEU N N 15 121.115 0.300 . 1 . . . . 28 LEU N . 11380 1 247 . 1 1 29 29 ASN H H 1 8.203 0.030 . 1 . . . . 29 ASN H . 11380 1 248 . 1 1 29 29 ASN HA H 1 4.339 0.030 . 1 . . . . 29 ASN HA . 11380 1 249 . 1 1 29 29 ASN HB2 H 1 2.710 0.030 . 1 . . . . 29 ASN HB2 . 11380 1 250 . 1 1 29 29 ASN HB3 H 1 2.710 0.030 . 1 . . . . 29 ASN HB3 . 11380 1 251 . 1 1 29 29 ASN HD21 H 1 7.576 0.030 . 2 . . . . 29 ASN HD21 . 11380 1 252 . 1 1 29 29 ASN HD22 H 1 6.863 0.030 . 2 . . . . 29 ASN HD22 . 11380 1 253 . 1 1 29 29 ASN C C 13 178.239 0.300 . 1 . . . . 29 ASN C . 11380 1 254 . 1 1 29 29 ASN CA C 13 56.678 0.300 . 1 . . . . 29 ASN CA . 11380 1 255 . 1 1 29 29 ASN CB C 13 37.934 0.300 . 1 . . . . 29 ASN CB . 11380 1 256 . 1 1 29 29 ASN N N 15 117.764 0.300 . 1 . . . . 29 ASN N . 11380 1 257 . 1 1 29 29 ASN ND2 N 15 112.209 0.300 . 1 . . . . 29 ASN ND2 . 11380 1 258 . 1 1 30 30 GLY H H 1 8.137 0.030 . 1 . . . . 30 GLY H . 11380 1 259 . 1 1 30 30 GLY HA2 H 1 3.856 0.030 . 2 . . . . 30 GLY HA2 . 11380 1 260 . 1 1 30 30 GLY HA3 H 1 3.764 0.030 . 2 . . . . 30 GLY HA3 . 11380 1 261 . 1 1 30 30 GLY C C 13 175.359 0.300 . 1 . . . . 30 GLY C . 11380 1 262 . 1 1 30 30 GLY CA C 13 47.072 0.300 . 1 . . . . 30 GLY CA . 11380 1 263 . 1 1 30 30 GLY N N 15 106.979 0.300 . 1 . . . . 30 GLY N . 11380 1 264 . 1 1 31 31 HIS H H 1 7.483 0.030 . 1 . . . . 31 HIS H . 11380 1 265 . 1 1 31 31 HIS HA H 1 4.294 0.030 . 1 . . . . 31 HIS HA . 11380 1 266 . 1 1 31 31 HIS HB2 H 1 3.237 0.030 . 2 . . . . 31 HIS HB2 . 11380 1 267 . 1 1 31 31 HIS HB3 H 1 2.817 0.030 . 2 . . . . 31 HIS HB3 . 11380 1 268 . 1 1 31 31 HIS HD2 H 1 7.127 0.030 . 1 . . . . 31 HIS HD2 . 11380 1 269 . 1 1 31 31 HIS HE1 H 1 8.038 0.030 . 1 . . . . 31 HIS HE1 . 11380 1 270 . 1 1 31 31 HIS C C 13 176.286 0.300 . 1 . . . . 31 HIS C . 11380 1 271 . 1 1 31 31 HIS CA C 13 59.285 0.300 . 1 . . . . 31 HIS CA . 11380 1 272 . 1 1 31 31 HIS CB C 13 28.316 0.300 . 1 . . . . 31 HIS CB . 11380 1 273 . 1 1 31 31 HIS CD2 C 13 127.949 0.300 . 1 . . . . 31 HIS CD2 . 11380 1 274 . 1 1 31 31 HIS CE1 C 13 139.387 0.300 . 1 . . . . 31 HIS CE1 . 11380 1 275 . 1 1 31 31 HIS N N 15 121.817 0.300 . 1 . . . . 31 HIS N . 11380 1 276 . 1 1 32 32 ILE H H 1 8.468 0.030 . 1 . . . . 32 ILE H . 11380 1 277 . 1 1 32 32 ILE HA H 1 3.371 0.030 . 1 . . . . 32 ILE HA . 11380 1 278 . 1 1 32 32 ILE HB H 1 1.898 0.030 . 1 . . . . 32 ILE HB . 11380 1 279 . 1 1 32 32 ILE HD11 H 1 1.051 0.030 . 1 . . . . 32 ILE HD1 . 11380 1 280 . 1 1 32 32 ILE HD12 H 1 1.051 0.030 . 1 . . . . 32 ILE HD1 . 11380 1 281 . 1 1 32 32 ILE HD13 H 1 1.051 0.030 . 1 . . . . 32 ILE HD1 . 11380 1 282 . 1 1 32 32 ILE HG12 H 1 1.393 0.030 . 2 . . . . 32 ILE HG12 . 11380 1 283 . 1 1 32 32 ILE HG13 H 1 2.111 0.030 . 2 . . . . 32 ILE HG13 . 11380 1 284 . 1 1 32 32 ILE HG21 H 1 0.949 0.030 . 1 . . . . 32 ILE HG2 . 11380 1 285 . 1 1 32 32 ILE HG22 H 1 0.949 0.030 . 1 . . . . 32 ILE HG2 . 11380 1 286 . 1 1 32 32 ILE HG23 H 1 0.949 0.030 . 1 . . . . 32 ILE HG2 . 11380 1 287 . 1 1 32 32 ILE C C 13 178.635 0.300 . 1 . . . . 32 ILE C . 11380 1 288 . 1 1 32 32 ILE CA C 13 66.696 0.300 . 1 . . . . 32 ILE CA . 11380 1 289 . 1 1 32 32 ILE CB C 13 38.528 0.300 . 1 . . . . 32 ILE CB . 11380 1 290 . 1 1 32 32 ILE CD1 C 13 14.251 0.300 . 1 . . . . 32 ILE CD1 . 11380 1 291 . 1 1 32 32 ILE CG1 C 13 30.504 0.300 . 1 . . . . 32 ILE CG1 . 11380 1 292 . 1 1 32 32 ILE CG2 C 13 17.415 0.300 . 1 . . . . 32 ILE CG2 . 11380 1 293 . 1 1 32 32 ILE N N 15 120.253 0.300 . 1 . . . . 32 ILE N . 11380 1 294 . 1 1 33 33 LYS H H 1 7.594 0.030 . 1 . . . . 33 LYS H . 11380 1 295 . 1 1 33 33 LYS HA H 1 3.975 0.030 . 1 . . . . 33 LYS HA . 11380 1 296 . 1 1 33 33 LYS HB2 H 1 1.825 0.030 . 1 . . . . 33 LYS HB2 . 11380 1 297 . 1 1 33 33 LYS HB3 H 1 1.825 0.030 . 1 . . . . 33 LYS HB3 . 11380 1 298 . 1 1 33 33 LYS HD2 H 1 1.606 0.030 . 1 . . . . 33 LYS HD2 . 11380 1 299 . 1 1 33 33 LYS HD3 H 1 1.606 0.030 . 1 . . . . 33 LYS HD3 . 11380 1 300 . 1 1 33 33 LYS HE2 H 1 2.905 0.030 . 1 . . . . 33 LYS HE2 . 11380 1 301 . 1 1 33 33 LYS HE3 H 1 2.905 0.030 . 1 . . . . 33 LYS HE3 . 11380 1 302 . 1 1 33 33 LYS HG2 H 1 1.459 0.030 . 2 . . . . 33 LYS HG2 . 11380 1 303 . 1 1 33 33 LYS HG3 H 1 1.376 0.030 . 2 . . . . 33 LYS HG3 . 11380 1 304 . 1 1 33 33 LYS C C 13 177.827 0.300 . 1 . . . . 33 LYS C . 11380 1 305 . 1 1 33 33 LYS CA C 13 58.576 0.300 . 1 . . . . 33 LYS CA . 11380 1 306 . 1 1 33 33 LYS CB C 13 32.530 0.300 . 1 . . . . 33 LYS CB . 11380 1 307 . 1 1 33 33 LYS CD C 13 29.089 0.300 . 1 . . . . 33 LYS CD . 11380 1 308 . 1 1 33 33 LYS CE C 13 42.051 0.300 . 1 . . . . 33 LYS CE . 11380 1 309 . 1 1 33 33 LYS CG C 13 24.986 0.300 . 1 . . . . 33 LYS CG . 11380 1 310 . 1 1 33 33 LYS N N 15 117.438 0.300 . 1 . . . . 33 LYS N . 11380 1 311 . 1 1 34 34 GLN H H 1 7.781 0.030 . 1 . . . . 34 GLN H . 11380 1 312 . 1 1 34 34 GLN HA H 1 4.052 0.030 . 1 . . . . 34 GLN HA . 11380 1 313 . 1 1 34 34 GLN HB2 H 1 2.040 0.030 . 2 . . . . 34 GLN HB2 . 11380 1 314 . 1 1 34 34 GLN HB3 H 1 2.006 0.030 . 2 . . . . 34 GLN HB3 . 11380 1 315 . 1 1 34 34 GLN HE21 H 1 7.346 0.030 . 2 . . . . 34 GLN HE21 . 11380 1 316 . 1 1 34 34 GLN HE22 H 1 6.780 0.030 . 2 . . . . 34 GLN HE22 . 11380 1 317 . 1 1 34 34 GLN HG2 H 1 2.397 0.030 . 2 . . . . 34 GLN HG2 . 11380 1 318 . 1 1 34 34 GLN HG3 H 1 2.263 0.030 . 2 . . . . 34 GLN HG3 . 11380 1 319 . 1 1 34 34 GLN C C 13 177.633 0.300 . 1 . . . . 34 GLN C . 11380 1 320 . 1 1 34 34 GLN CA C 13 58.102 0.300 . 1 . . . . 34 GLN CA . 11380 1 321 . 1 1 34 34 GLN CB C 13 29.767 0.300 . 1 . . . . 34 GLN CB . 11380 1 322 . 1 1 34 34 GLN CG C 13 33.918 0.300 . 1 . . . . 34 GLN CG . 11380 1 323 . 1 1 34 34 GLN N N 15 115.939 0.300 . 1 . . . . 34 GLN N . 11380 1 324 . 1 1 34 34 GLN NE2 N 15 111.654 0.300 . 1 . . . . 34 GLN NE2 . 11380 1 325 . 1 1 35 35 VAL H H 1 8.109 0.030 . 1 . . . . 35 VAL H . 11380 1 326 . 1 1 35 35 VAL HA H 1 3.923 0.030 . 1 . . . . 35 VAL HA . 11380 1 327 . 1 1 35 35 VAL HB H 1 0.900 0.030 . 1 . . . . 35 VAL HB . 11380 1 328 . 1 1 35 35 VAL HG11 H 1 0.517 0.030 . 1 . . . . 35 VAL HG1 . 11380 1 329 . 1 1 35 35 VAL HG12 H 1 0.517 0.030 . 1 . . . . 35 VAL HG1 . 11380 1 330 . 1 1 35 35 VAL HG13 H 1 0.517 0.030 . 1 . . . . 35 VAL HG1 . 11380 1 331 . 1 1 35 35 VAL HG21 H 1 0.371 0.030 . 1 . . . . 35 VAL HG2 . 11380 1 332 . 1 1 35 35 VAL HG22 H 1 0.371 0.030 . 1 . . . . 35 VAL HG2 . 11380 1 333 . 1 1 35 35 VAL HG23 H 1 0.371 0.030 . 1 . . . . 35 VAL HG2 . 11380 1 334 . 1 1 35 35 VAL C C 13 176.343 0.300 . 1 . . . . 35 VAL C . 11380 1 335 . 1 1 35 35 VAL CA C 13 63.693 0.300 . 1 . . . . 35 VAL CA . 11380 1 336 . 1 1 35 35 VAL CB C 13 33.241 0.300 . 1 . . . . 35 VAL CB . 11380 1 337 . 1 1 35 35 VAL CG1 C 13 21.746 0.300 . 2 . . . . 35 VAL CG1 . 11380 1 338 . 1 1 35 35 VAL CG2 C 13 21.184 0.300 . 2 . . . . 35 VAL CG2 . 11380 1 339 . 1 1 35 35 VAL N N 15 114.240 0.300 . 1 . . . . 35 VAL N . 11380 1 340 . 1 1 36 36 HIS H H 1 7.584 0.030 . 1 . . . . 36 HIS H . 11380 1 341 . 1 1 36 36 HIS HA H 1 5.185 0.030 . 1 . . . . 36 HIS HA . 11380 1 342 . 1 1 36 36 HIS HB2 H 1 3.165 0.030 . 2 . . . . 36 HIS HB2 . 11380 1 343 . 1 1 36 36 HIS HB3 H 1 3.347 0.030 . 2 . . . . 36 HIS HB3 . 11380 1 344 . 1 1 36 36 HIS HD2 H 1 6.608 0.030 . 1 . . . . 36 HIS HD2 . 11380 1 345 . 1 1 36 36 HIS HE1 H 1 7.978 0.030 . 1 . . . . 36 HIS HE1 . 11380 1 346 . 1 1 36 36 HIS C C 13 175.233 0.300 . 1 . . . . 36 HIS C . 11380 1 347 . 1 1 36 36 HIS CA C 13 54.276 0.300 . 1 . . . . 36 HIS CA . 11380 1 348 . 1 1 36 36 HIS CB C 13 28.843 0.300 . 1 . . . . 36 HIS CB . 11380 1 349 . 1 1 36 36 HIS CD2 C 13 127.725 0.300 . 1 . . . . 36 HIS CD2 . 11380 1 350 . 1 1 36 36 HIS CE1 C 13 139.769 0.300 . 1 . . . . 36 HIS CE1 . 11380 1 351 . 1 1 36 36 HIS N N 15 116.690 0.300 . 1 . . . . 36 HIS N . 11380 1 352 . 1 1 37 37 THR H H 1 7.642 0.030 . 1 . . . . 37 THR H . 11380 1 353 . 1 1 37 37 THR HA H 1 4.341 0.030 . 1 . . . . 37 THR HA . 11380 1 354 . 1 1 37 37 THR HB H 1 4.263 0.030 . 1 . . . . 37 THR HB . 11380 1 355 . 1 1 37 37 THR HG21 H 1 1.170 0.030 . 1 . . . . 37 THR HG2 . 11380 1 356 . 1 1 37 37 THR HG22 H 1 1.170 0.030 . 1 . . . . 37 THR HG2 . 11380 1 357 . 1 1 37 37 THR HG23 H 1 1.170 0.030 . 1 . . . . 37 THR HG2 . 11380 1 358 . 1 1 37 37 THR C C 13 174.555 0.300 . 1 . . . . 37 THR C . 11380 1 359 . 1 1 37 37 THR CA C 13 62.746 0.300 . 1 . . . . 37 THR CA . 11380 1 360 . 1 1 37 37 THR CB C 13 69.655 0.300 . 1 . . . . 37 THR CB . 11380 1 361 . 1 1 37 37 THR CG2 C 13 21.663 0.300 . 1 . . . . 37 THR CG2 . 11380 1 362 . 1 1 37 37 THR N N 15 113.465 0.300 . 1 . . . . 37 THR N . 11380 1 363 . 1 1 38 38 SER H H 1 8.360 0.030 . 1 . . . . 38 SER H . 11380 1 364 . 1 1 38 38 SER HA H 1 4.441 0.030 . 1 . . . . 38 SER HA . 11380 1 365 . 1 1 38 38 SER HB2 H 1 3.870 0.030 . 2 . . . . 38 SER HB2 . 11380 1 366 . 1 1 38 38 SER HB3 H 1 3.815 0.030 . 2 . . . . 38 SER HB3 . 11380 1 367 . 1 1 38 38 SER C C 13 174.311 0.300 . 1 . . . . 38 SER C . 11380 1 368 . 1 1 38 38 SER CA C 13 58.398 0.300 . 1 . . . . 38 SER CA . 11380 1 369 . 1 1 38 38 SER CB C 13 63.817 0.300 . 1 . . . . 38 SER CB . 11380 1 370 . 1 1 38 38 SER N N 15 117.878 0.300 . 1 . . . . 38 SER N . 11380 1 371 . 1 1 39 39 GLU H H 1 8.287 0.030 . 1 . . . . 39 GLU H . 11380 1 372 . 1 1 39 39 GLU HA H 1 4.248 0.030 . 1 . . . . 39 GLU HA . 11380 1 373 . 1 1 39 39 GLU HB2 H 1 2.001 0.030 . 2 . . . . 39 GLU HB2 . 11380 1 374 . 1 1 39 39 GLU HB3 H 1 1.909 0.030 . 2 . . . . 39 GLU HB3 . 11380 1 375 . 1 1 39 39 GLU HG2 H 1 2.240 0.030 . 2 . . . . 39 GLU HG2 . 11380 1 376 . 1 1 39 39 GLU HG3 H 1 2.197 0.030 . 2 . . . . 39 GLU HG3 . 11380 1 377 . 1 1 39 39 GLU C C 13 176.118 0.300 . 1 . . . . 39 GLU C . 11380 1 378 . 1 1 39 39 GLU CA C 13 56.464 0.300 . 1 . . . . 39 GLU CA . 11380 1 379 . 1 1 39 39 GLU CB C 13 30.282 0.300 . 1 . . . . 39 GLU CB . 11380 1 380 . 1 1 39 39 GLU CG C 13 36.244 0.300 . 1 . . . . 39 GLU CG . 11380 1 381 . 1 1 39 39 GLU N N 15 122.619 0.300 . 1 . . . . 39 GLU N . 11380 1 382 . 1 1 40 40 ARG H H 1 8.309 0.030 . 1 . . . . 40 ARG H . 11380 1 383 . 1 1 40 40 ARG HA H 1 4.573 0.030 . 1 . . . . 40 ARG HA . 11380 1 384 . 1 1 40 40 ARG HB2 H 1 1.678 0.030 . 2 . . . . 40 ARG HB2 . 11380 1 385 . 1 1 40 40 ARG HB3 H 1 1.789 0.030 . 2 . . . . 40 ARG HB3 . 11380 1 386 . 1 1 40 40 ARG HD2 H 1 3.160 0.030 . 1 . . . . 40 ARG HD2 . 11380 1 387 . 1 1 40 40 ARG HD3 H 1 3.160 0.030 . 1 . . . . 40 ARG HD3 . 11380 1 388 . 1 1 40 40 ARG HG2 H 1 1.611 0.030 . 1 . . . . 40 ARG HG2 . 11380 1 389 . 1 1 40 40 ARG HG3 H 1 1.611 0.030 . 1 . . . . 40 ARG HG3 . 11380 1 390 . 1 1 40 40 ARG C C 13 174.012 0.300 . 1 . . . . 40 ARG C . 11380 1 391 . 1 1 40 40 ARG CA C 13 53.787 0.300 . 1 . . . . 40 ARG CA . 11380 1 392 . 1 1 40 40 ARG CB C 13 30.106 0.300 . 1 . . . . 40 ARG CB . 11380 1 393 . 1 1 40 40 ARG CD C 13 43.378 0.300 . 1 . . . . 40 ARG CD . 11380 1 394 . 1 1 40 40 ARG CG C 13 26.767 0.300 . 1 . . . . 40 ARG CG . 11380 1 395 . 1 1 40 40 ARG N N 15 122.964 0.300 . 1 . . . . 40 ARG N . 11380 1 396 . 1 1 41 41 PRO HA H 1 4.365 0.030 . 1 . . . . 41 PRO HA . 11380 1 397 . 1 1 41 41 PRO HB2 H 1 2.229 0.030 . 2 . . . . 41 PRO HB2 . 11380 1 398 . 1 1 41 41 PRO HB3 H 1 1.800 0.030 . 2 . . . . 41 PRO HB3 . 11380 1 399 . 1 1 41 41 PRO HD2 H 1 3.565 0.030 . 2 . . . . 41 PRO HD2 . 11380 1 400 . 1 1 41 41 PRO HD3 H 1 3.740 0.030 . 2 . . . . 41 PRO HD3 . 11380 1 401 . 1 1 41 41 PRO HG2 H 1 1.954 0.030 . 1 . . . . 41 PRO HG2 . 11380 1 402 . 1 1 41 41 PRO HG3 H 1 1.954 0.030 . 1 . . . . 41 PRO HG3 . 11380 1 403 . 1 1 41 41 PRO C C 13 176.405 0.300 . 1 . . . . 41 PRO C . 11380 1 404 . 1 1 41 41 PRO CA C 13 63.143 0.300 . 1 . . . . 41 PRO CA . 11380 1 405 . 1 1 41 41 PRO CB C 13 32.116 0.300 . 1 . . . . 41 PRO CB . 11380 1 406 . 1 1 41 41 PRO CD C 13 50.568 0.300 . 1 . . . . 41 PRO CD . 11380 1 407 . 1 1 41 41 PRO CG C 13 27.397 0.300 . 1 . . . . 41 PRO CG . 11380 1 408 . 1 1 42 42 HIS H H 1 8.501 0.030 . 1 . . . . 42 HIS H . 11380 1 409 . 1 1 42 42 HIS HA H 1 4.538 0.030 . 1 . . . . 42 HIS HA . 11380 1 410 . 1 1 42 42 HIS HB2 H 1 3.063 0.030 . 1 . . . . 42 HIS HB2 . 11380 1 411 . 1 1 42 42 HIS HB3 H 1 3.063 0.030 . 1 . . . . 42 HIS HB3 . 11380 1 412 . 1 1 42 42 HIS CA C 13 56.290 0.300 . 1 . . . . 42 HIS CA . 11380 1 413 . 1 1 42 42 HIS CB C 13 30.792 0.300 . 1 . . . . 42 HIS CB . 11380 1 414 . 1 1 42 42 HIS N N 15 120.736 0.300 . 1 . . . . 42 HIS N . 11380 1 415 . 1 1 43 43 LYS H H 1 8.057 0.030 . 1 . . . . 43 LYS H . 11380 1 416 . 1 1 43 43 LYS HA H 1 4.335 0.030 . 1 . . . . 43 LYS HA . 11380 1 417 . 1 1 43 43 LYS HB2 H 1 1.626 0.030 . 2 . . . . 43 LYS HB2 . 11380 1 418 . 1 1 43 43 LYS HB3 H 1 1.534 0.030 . 2 . . . . 43 LYS HB3 . 11380 1 419 . 1 1 43 43 LYS HD2 H 1 1.595 0.030 . 1 . . . . 43 LYS HD2 . 11380 1 420 . 1 1 43 43 LYS HD3 H 1 1.595 0.030 . 1 . . . . 43 LYS HD3 . 11380 1 421 . 1 1 43 43 LYS HE2 H 1 2.888 0.030 . 1 . . . . 43 LYS HE2 . 11380 1 422 . 1 1 43 43 LYS HE3 H 1 2.888 0.030 . 1 . . . . 43 LYS HE3 . 11380 1 423 . 1 1 43 43 LYS HG2 H 1 1.294 0.030 . 2 . . . . 43 LYS HG2 . 11380 1 424 . 1 1 43 43 LYS HG3 H 1 1.209 0.030 . 2 . . . . 43 LYS HG3 . 11380 1 425 . 1 1 43 43 LYS CA C 13 54.931 0.300 . 1 . . . . 43 LYS CA . 11380 1 426 . 1 1 43 43 LYS CB C 13 33.780 0.300 . 1 . . . . 43 LYS CB . 11380 1 427 . 1 1 43 43 LYS CD C 13 29.051 0.300 . 1 . . . . 43 LYS CD . 11380 1 428 . 1 1 43 43 LYS CE C 13 42.064 0.300 . 1 . . . . 43 LYS CE . 11380 1 429 . 1 1 43 43 LYS CG C 13 24.538 0.300 . 1 . . . . 43 LYS CG . 11380 1 430 . 1 1 43 43 LYS N N 15 121.316 0.300 . 1 . . . . 43 LYS N . 11380 1 431 . 1 1 45 45 GLN H H 1 8.369 0.030 . 1 . . . . 45 GLN H . 11380 1 432 . 1 1 45 45 GLN HA H 1 4.229 0.030 . 1 . . . . 45 GLN HA . 11380 1 433 . 1 1 45 45 GLN HB2 H 1 1.873 0.030 . 1 . . . . 45 GLN HB2 . 11380 1 434 . 1 1 45 45 GLN HB3 H 1 1.873 0.030 . 1 . . . . 45 GLN HB3 . 11380 1 435 . 1 1 45 45 GLN HE21 H 1 7.376 0.030 . 2 . . . . 45 GLN HE21 . 11380 1 436 . 1 1 45 45 GLN HE22 H 1 6.818 0.030 . 2 . . . . 45 GLN HE22 . 11380 1 437 . 1 1 45 45 GLN HG2 H 1 2.178 0.030 . 1 . . . . 45 GLN HG2 . 11380 1 438 . 1 1 45 45 GLN HG3 H 1 2.178 0.030 . 1 . . . . 45 GLN HG3 . 11380 1 439 . 1 1 45 45 GLN C C 13 175.314 0.300 . 1 . . . . 45 GLN C . 11380 1 440 . 1 1 45 45 GLN CA C 13 55.868 0.300 . 1 . . . . 45 GLN CA . 11380 1 441 . 1 1 45 45 GLN CB C 13 29.671 0.300 . 1 . . . . 45 GLN CB . 11380 1 442 . 1 1 45 45 GLN CG C 13 33.712 0.300 . 1 . . . . 45 GLN CG . 11380 1 443 . 1 1 45 45 GLN N N 15 121.279 0.300 . 1 . . . . 45 GLN N . 11380 1 444 . 1 1 45 45 GLN NE2 N 15 112.327 0.300 . 1 . . . . 45 GLN NE2 . 11380 1 445 . 1 1 46 46 VAL H H 1 8.051 0.030 . 1 . . . . 46 VAL H . 11380 1 446 . 1 1 46 46 VAL HA H 1 4.032 0.030 . 1 . . . . 46 VAL HA . 11380 1 447 . 1 1 46 46 VAL HB H 1 1.915 0.030 . 1 . . . . 46 VAL HB . 11380 1 448 . 1 1 46 46 VAL HG11 H 1 0.788 0.030 . 1 . . . . 46 VAL HG1 . 11380 1 449 . 1 1 46 46 VAL HG12 H 1 0.788 0.030 . 1 . . . . 46 VAL HG1 . 11380 1 450 . 1 1 46 46 VAL HG13 H 1 0.788 0.030 . 1 . . . . 46 VAL HG1 . 11380 1 451 . 1 1 46 46 VAL C C 13 175.442 0.300 . 1 . . . . 46 VAL C . 11380 1 452 . 1 1 46 46 VAL CA C 13 62.172 0.300 . 1 . . . . 46 VAL CA . 11380 1 453 . 1 1 46 46 VAL CB C 13 32.861 0.300 . 1 . . . . 46 VAL CB . 11380 1 454 . 1 1 46 46 VAL CG1 C 13 20.565 0.300 . 1 . . . . 46 VAL CG1 . 11380 1 455 . 1 1 46 46 VAL N N 15 120.954 0.300 . 1 . . . . 46 VAL N . 11380 1 456 . 1 1 47 47 TRP H H 1 8.179 0.030 . 1 . . . . 47 TRP H . 11380 1 457 . 1 1 47 47 TRP HA H 1 4.659 0.030 . 1 . . . . 47 TRP HA . 11380 1 458 . 1 1 47 47 TRP HB2 H 1 3.176 0.030 . 2 . . . . 47 TRP HB2 . 11380 1 459 . 1 1 47 47 TRP HB3 H 1 3.068 0.030 . 2 . . . . 47 TRP HB3 . 11380 1 460 . 1 1 47 47 TRP HD1 H 1 7.120 0.030 . 1 . . . . 47 TRP HD1 . 11380 1 461 . 1 1 47 47 TRP HE1 H 1 10.008 0.030 . 1 . . . . 47 TRP HE1 . 11380 1 462 . 1 1 47 47 TRP HE3 H 1 7.508 0.030 . 1 . . . . 47 TRP HE3 . 11380 1 463 . 1 1 47 47 TRP HH2 H 1 7.149 0.030 . 1 . . . . 47 TRP HH2 . 11380 1 464 . 1 1 47 47 TRP HZ2 H 1 7.402 0.030 . 1 . . . . 47 TRP HZ2 . 11380 1 465 . 1 1 47 47 TRP HZ3 H 1 7.075 0.030 . 1 . . . . 47 TRP HZ3 . 11380 1 466 . 1 1 47 47 TRP C C 13 175.723 0.300 . 1 . . . . 47 TRP C . 11380 1 467 . 1 1 47 47 TRP CA C 13 57.106 0.300 . 1 . . . . 47 TRP CA . 11380 1 468 . 1 1 47 47 TRP CB C 13 29.822 0.300 . 1 . . . . 47 TRP CB . 11380 1 469 . 1 1 47 47 TRP CD1 C 13 126.996 0.300 . 1 . . . . 47 TRP CD1 . 11380 1 470 . 1 1 47 47 TRP CE3 C 13 120.870 0.300 . 1 . . . . 47 TRP CE3 . 11380 1 471 . 1 1 47 47 TRP CH2 C 13 124.469 0.300 . 1 . . . . 47 TRP CH2 . 11380 1 472 . 1 1 47 47 TRP CZ2 C 13 114.472 0.300 . 1 . . . . 47 TRP CZ2 . 11380 1 473 . 1 1 47 47 TRP CZ3 C 13 121.934 0.300 . 1 . . . . 47 TRP CZ3 . 11380 1 474 . 1 1 47 47 TRP N N 15 125.087 0.300 . 1 . . . . 47 TRP N . 11380 1 475 . 1 1 47 47 TRP NE1 N 15 129.279 0.300 . 1 . . . . 47 TRP NE1 . 11380 1 476 . 1 1 48 48 VAL H H 1 7.896 0.030 . 1 . . . . 48 VAL H . 11380 1 477 . 1 1 48 48 VAL HA H 1 4.032 0.030 . 1 . . . . 48 VAL HA . 11380 1 478 . 1 1 48 48 VAL HB H 1 1.921 0.030 . 1 . . . . 48 VAL HB . 11380 1 479 . 1 1 48 48 VAL HG11 H 1 0.811 0.030 . 1 . . . . 48 VAL HG1 . 11380 1 480 . 1 1 48 48 VAL HG12 H 1 0.811 0.030 . 1 . . . . 48 VAL HG1 . 11380 1 481 . 1 1 48 48 VAL HG13 H 1 0.811 0.030 . 1 . . . . 48 VAL HG1 . 11380 1 482 . 1 1 48 48 VAL HG21 H 1 0.753 0.030 . 1 . . . . 48 VAL HG2 . 11380 1 483 . 1 1 48 48 VAL HG22 H 1 0.753 0.030 . 1 . . . . 48 VAL HG2 . 11380 1 484 . 1 1 48 48 VAL HG23 H 1 0.753 0.030 . 1 . . . . 48 VAL HG2 . 11380 1 485 . 1 1 48 48 VAL C C 13 175.477 0.300 . 1 . . . . 48 VAL C . 11380 1 486 . 1 1 48 48 VAL CA C 13 62.305 0.300 . 1 . . . . 48 VAL CA . 11380 1 487 . 1 1 48 48 VAL CB C 13 33.103 0.300 . 1 . . . . 48 VAL CB . 11380 1 488 . 1 1 48 48 VAL CG1 C 13 20.976 0.300 . 2 . . . . 48 VAL CG1 . 11380 1 489 . 1 1 48 48 VAL CG2 C 13 20.996 0.300 . 2 . . . . 48 VAL CG2 . 11380 1 490 . 1 1 48 48 VAL N N 15 122.528 0.300 . 1 . . . . 48 VAL N . 11380 1 491 . 1 1 49 49 SER H H 1 8.133 0.030 . 1 . . . . 49 SER H . 11380 1 492 . 1 1 49 49 SER HA H 1 4.283 0.030 . 1 . . . . 49 SER HA . 11380 1 493 . 1 1 49 49 SER HB2 H 1 3.765 0.030 . 1 . . . . 49 SER HB2 . 11380 1 494 . 1 1 49 49 SER HB3 H 1 3.765 0.030 . 1 . . . . 49 SER HB3 . 11380 1 495 . 1 1 49 49 SER C C 13 174.406 0.300 . 1 . . . . 49 SER C . 11380 1 496 . 1 1 49 49 SER CA C 13 58.153 0.300 . 1 . . . . 49 SER CA . 11380 1 497 . 1 1 49 49 SER CB C 13 64.013 0.300 . 1 . . . . 49 SER CB . 11380 1 498 . 1 1 49 49 SER N N 15 118.775 0.300 . 1 . . . . 49 SER N . 11380 1 499 . 1 1 50 50 GLY H H 1 8.115 0.030 . 1 . . . . 50 GLY H . 11380 1 500 . 1 1 50 50 GLY HA2 H 1 4.061 0.030 . 2 . . . . 50 GLY HA2 . 11380 1 501 . 1 1 50 50 GLY HA3 H 1 4.010 0.030 . 2 . . . . 50 GLY HA3 . 11380 1 502 . 1 1 50 50 GLY C C 13 171.651 0.300 . 1 . . . . 50 GLY C . 11380 1 503 . 1 1 50 50 GLY CA C 13 44.643 0.300 . 1 . . . . 50 GLY CA . 11380 1 504 . 1 1 50 50 GLY N N 15 110.717 0.300 . 1 . . . . 50 GLY N . 11380 1 505 . 1 1 51 51 PRO HA H 1 4.377 0.030 . 1 . . . . 51 PRO HA . 11380 1 506 . 1 1 51 51 PRO HB2 H 1 2.225 0.030 . 2 . . . . 51 PRO HB2 . 11380 1 507 . 1 1 51 51 PRO HB3 H 1 1.919 0.030 . 2 . . . . 51 PRO HB3 . 11380 1 508 . 1 1 51 51 PRO HD2 H 1 3.542 0.030 . 1 . . . . 51 PRO HD2 . 11380 1 509 . 1 1 51 51 PRO HD3 H 1 3.542 0.030 . 1 . . . . 51 PRO HD3 . 11380 1 510 . 1 1 51 51 PRO HG2 H 1 1.951 0.030 . 1 . . . . 51 PRO HG2 . 11380 1 511 . 1 1 51 51 PRO HG3 H 1 1.951 0.030 . 1 . . . . 51 PRO HG3 . 11380 1 512 . 1 1 51 51 PRO C C 13 177.290 0.300 . 1 . . . . 51 PRO C . 11380 1 513 . 1 1 51 51 PRO CA C 13 63.150 0.300 . 1 . . . . 51 PRO CA . 11380 1 514 . 1 1 51 51 PRO CB C 13 32.144 0.300 . 1 . . . . 51 PRO CB . 11380 1 515 . 1 1 51 51 PRO CD C 13 49.755 0.300 . 1 . . . . 51 PRO CD . 11380 1 516 . 1 1 51 51 PRO CG C 13 27.268 0.300 . 1 . . . . 51 PRO CG . 11380 1 517 . 1 1 52 52 SER H H 1 8.452 0.030 . 1 . . . . 52 SER H . 11380 1 518 . 1 1 52 52 SER C C 13 174.614 0.300 . 1 . . . . 52 SER C . 11380 1 519 . 1 1 52 52 SER CA C 13 58.391 0.300 . 1 . . . . 52 SER CA . 11380 1 520 . 1 1 52 52 SER CB C 13 64.042 0.300 . 1 . . . . 52 SER CB . 11380 1 521 . 1 1 52 52 SER N N 15 116.292 0.300 . 1 . . . . 52 SER N . 11380 1 stop_ save_