################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30556 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 COSY' . . . 30556 1 2 '2D TOCSY' . . . 30556 1 3 '2D 1H-13C HSQC' . . . 30556 1 4 '2D 1H-13C HSQC aromatic' . . . 30556 1 5 '2D 1H-15N HSQC' . . . 30556 1 6 '3D HCCH-COSY' . . . 30556 1 7 '3D 1H-15N TOCSY' . . . 30556 1 8 '3D HBHA(CO)NH' . . . 30556 1 9 '3D H(CCO)NH' . . . 30556 1 10 '3D CBCA(CO)NH' . . . 30556 1 11 '3D HNCA' . . . 30556 1 12 '3D HNCACO' . . . 30556 1 13 '3D HNCO' . . . 30556 1 14 '3D 1H-13C NOESY' . . . 30556 1 15 '3D 1H-15N NOESY' . . . 30556 1 16 '2D NOESY' . . . 30556 1 17 2D-hbCBcgcdHD . . . 30556 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 3 3 MET HA H 1 4.476 0.020 . 1 . . . . A 1 MET HA . 30556 1 2 . 1 . 1 3 3 MET HB2 H 1 1.994 0.020 . 2 . . . . A 1 MET HB2 . 30556 1 3 . 1 . 1 3 3 MET HB3 H 1 2.018 0.020 . 2 . . . . A 1 MET HB3 . 30556 1 4 . 1 . 1 3 3 MET HG2 H 1 2.524 0.020 . 2 . . . . A 1 MET HG2 . 30556 1 5 . 1 . 1 3 3 MET HG3 H 1 2.601 0.020 . 2 . . . . A 1 MET HG3 . 30556 1 6 . 1 . 1 3 3 MET HE1 H 1 2.091 0.020 . 1 . . . . A 1 MET HE1 . 30556 1 7 . 1 . 1 3 3 MET HE2 H 1 2.091 0.020 . 1 . . . . A 1 MET HE2 . 30556 1 8 . 1 . 1 3 3 MET HE3 H 1 2.091 0.020 . 1 . . . . A 1 MET HE3 . 30556 1 9 . 1 . 1 3 3 MET C C 13 175.649 0.400 . 1 . . . . A 1 MET C . 30556 1 10 . 1 . 1 3 3 MET CA C 13 55.422 0.400 . 1 . . . . A 1 MET CA . 30556 1 11 . 1 . 1 3 3 MET CB C 13 33.475 0.400 . 1 . . . . A 1 MET CB . 30556 1 12 . 1 . 1 3 3 MET CG C 13 32.056 0.400 . 1 . . . . A 1 MET CG . 30556 1 13 . 1 . 1 3 3 MET CE C 13 17.039 0.400 . 1 . . . . A 1 MET CE . 30556 1 14 . 1 . 1 4 4 ALA H H 1 8.294 0.020 . 1 . . . . A 2 ALA H . 30556 1 15 . 1 . 1 4 4 ALA HA H 1 4.297 0.020 . 1 . . . . A 2 ALA HA . 30556 1 16 . 1 . 1 4 4 ALA HB1 H 1 1.351 0.020 . 1 . . . . A 2 ALA HB1 . 30556 1 17 . 1 . 1 4 4 ALA HB2 H 1 1.351 0.020 . 1 . . . . A 2 ALA HB2 . 30556 1 18 . 1 . 1 4 4 ALA HB3 H 1 1.351 0.020 . 1 . . . . A 2 ALA HB3 . 30556 1 19 . 1 . 1 4 4 ALA C C 13 176.952 0.400 . 1 . . . . A 2 ALA C . 30556 1 20 . 1 . 1 4 4 ALA CA C 13 52.344 0.400 . 1 . . . . A 2 ALA CA . 30556 1 21 . 1 . 1 4 4 ALA CB C 13 19.378 0.400 . 1 . . . . A 2 ALA CB . 30556 1 22 . 1 . 1 4 4 ALA N N 15 125.701 0.400 . 1 . . . . A 2 ALA N . 30556 1 23 . 1 . 1 5 5 ALA H H 1 8.293 0.020 . 1 . . . . A 3 ALA H . 30556 1 24 . 1 . 1 5 5 ALA HA H 1 4.510 0.020 . 1 . . . . A 3 ALA HA . 30556 1 25 . 1 . 1 5 5 ALA HB1 H 1 1.324 0.020 . 1 . . . . A 3 ALA HB1 . 30556 1 26 . 1 . 1 5 5 ALA HB2 H 1 1.324 0.020 . 1 . . . . A 3 ALA HB2 . 30556 1 27 . 1 . 1 5 5 ALA HB3 H 1 1.324 0.020 . 1 . . . . A 3 ALA HB3 . 30556 1 28 . 1 . 1 5 5 ALA C C 13 175.437 0.400 . 1 . . . . A 3 ALA C . 30556 1 29 . 1 . 1 5 5 ALA CA C 13 50.438 0.400 . 1 . . . . A 3 ALA CA . 30556 1 30 . 1 . 1 5 5 ALA CB C 13 18.195 0.400 . 1 . . . . A 3 ALA CB . 30556 1 31 . 1 . 1 5 5 ALA N N 15 124.517 0.400 . 1 . . . . A 3 ALA N . 30556 1 32 . 1 . 1 8 8 MET HE1 H 1 1.945 0.020 . 1 . . . . A 6 MET HE1 . 30556 1 33 . 1 . 1 8 8 MET HE2 H 1 1.945 0.020 . 1 . . . . A 6 MET HE2 . 30556 1 34 . 1 . 1 8 8 MET HE3 H 1 1.945 0.020 . 1 . . . . A 6 MET HE3 . 30556 1 35 . 1 . 1 8 8 MET CE C 13 16.879 0.400 . 1 . . . . A 6 MET CE . 30556 1 36 . 1 . 1 10 10 GLU C C 13 179.542 0.400 . 1 . . . . A 8 GLU C . 30556 1 37 . 1 . 1 11 11 ARG H H 1 8.342 0.020 . 1 . . . . A 9 ARG H . 30556 1 38 . 1 . 1 11 11 ARG C C 13 176.722 0.400 . 1 . . . . A 9 ARG C . 30556 1 39 . 1 . 1 11 11 ARG N N 15 120.437 0.400 . 1 . . . . A 9 ARG N . 30556 1 40 . 1 . 1 12 12 GLN H H 1 7.987 0.020 . 1 . . . . A 10 GLN H . 30556 1 41 . 1 . 1 12 12 GLN HA H 1 4.007 0.020 . 1 . . . . A 10 GLN HA . 30556 1 42 . 1 . 1 12 12 GLN HB2 H 1 2.240 0.020 . 2 . . . . A 10 GLN HB2 . 30556 1 43 . 1 . 1 12 12 GLN HB3 H 1 2.240 0.020 . 2 . . . . A 10 GLN HB3 . 30556 1 44 . 1 . 1 12 12 GLN HG2 H 1 2.486 0.020 . 2 . . . . A 10 GLN HG2 . 30556 1 45 . 1 . 1 12 12 GLN HG3 H 1 2.486 0.020 . 2 . . . . A 10 GLN HG3 . 30556 1 46 . 1 . 1 12 12 GLN HE21 H 1 6.882 0.020 . 2 . . . . A 10 GLN HE21 . 30556 1 47 . 1 . 1 12 12 GLN HE22 H 1 7.465 0.020 . 2 . . . . A 10 GLN HE22 . 30556 1 48 . 1 . 1 12 12 GLN C C 13 179.674 0.400 . 1 . . . . A 10 GLN C . 30556 1 49 . 1 . 1 12 12 GLN CA C 13 59.281 0.400 . 1 . . . . A 10 GLN CA . 30556 1 50 . 1 . 1 12 12 GLN CB C 13 28.254 0.400 . 1 . . . . A 10 GLN CB . 30556 1 51 . 1 . 1 12 12 GLN CG C 13 33.908 0.400 . 1 . . . . A 10 GLN CG . 30556 1 52 . 1 . 1 12 12 GLN N N 15 117.483 0.400 . 1 . . . . A 10 GLN N . 30556 1 53 . 1 . 1 12 12 GLN NE2 N 15 111.528 0.400 . 1 . . . . A 10 GLN NE2 . 30556 1 54 . 1 . 1 13 13 VAL H H 1 8.047 0.020 . 1 . . . . A 11 VAL H . 30556 1 55 . 1 . 1 13 13 VAL HA H 1 3.804 0.020 . 1 . . . . A 11 VAL HA . 30556 1 56 . 1 . 1 13 13 VAL HB H 1 2.185 0.020 . 1 . . . . A 11 VAL HB . 30556 1 57 . 1 . 1 13 13 VAL HG11 H 1 1.055 0.020 . 1 . . . . A 11 VAL HG11 . 30556 1 58 . 1 . 1 13 13 VAL HG12 H 1 1.055 0.020 . 1 . . . . A 11 VAL HG12 . 30556 1 59 . 1 . 1 13 13 VAL HG13 H 1 1.055 0.020 . 1 . . . . A 11 VAL HG13 . 30556 1 60 . 1 . 1 13 13 VAL HG21 H 1 1.106 0.020 . 1 . . . . A 11 VAL HG21 . 30556 1 61 . 1 . 1 13 13 VAL HG22 H 1 1.106 0.020 . 1 . . . . A 11 VAL HG22 . 30556 1 62 . 1 . 1 13 13 VAL HG23 H 1 1.106 0.020 . 1 . . . . A 11 VAL HG23 . 30556 1 63 . 1 . 1 13 13 VAL C C 13 178.666 0.400 . 1 . . . . A 11 VAL C . 30556 1 64 . 1 . 1 13 13 VAL CA C 13 66.113 0.400 . 1 . . . . A 11 VAL CA . 30556 1 65 . 1 . 1 13 13 VAL CB C 13 31.818 0.400 . 1 . . . . A 11 VAL CB . 30556 1 66 . 1 . 1 13 13 VAL CG1 C 13 20.972 0.400 . 1 . . . . A 11 VAL CG1 . 30556 1 67 . 1 . 1 13 13 VAL CG2 C 13 22.629 0.400 . 1 . . . . A 11 VAL CG2 . 30556 1 68 . 1 . 1 13 13 VAL N N 15 120.525 0.400 . 1 . . . . A 11 VAL N . 30556 1 69 . 1 . 1 14 14 CYS H H 1 7.812 0.020 . 1 . . . . A 12 CYS H . 30556 1 70 . 1 . 1 14 14 CYS HA H 1 4.416 0.020 . 1 . . . . A 12 CYS HA . 30556 1 71 . 1 . 1 14 14 CYS HB2 H 1 3.850 0.020 . 2 . . . . A 12 CYS HB2 . 30556 1 72 . 1 . 1 14 14 CYS HB3 H 1 3.026 0.020 . 2 . . . . A 12 CYS HB3 . 30556 1 73 . 1 . 1 14 14 CYS C C 13 175.833 0.400 . 1 . . . . A 12 CYS C . 30556 1 74 . 1 . 1 14 14 CYS CA C 13 58.693 0.400 . 1 . . . . A 12 CYS CA . 30556 1 75 . 1 . 1 14 14 CYS CB C 13 37.566 0.400 . 1 . . . . A 12 CYS CB . 30556 1 76 . 1 . 1 14 14 CYS N N 15 118.756 0.400 . 1 . . . . A 12 CYS N . 30556 1 77 . 1 . 1 15 15 TRP H H 1 8.998 0.020 . 1 . . . . A 13 TRP H . 30556 1 78 . 1 . 1 15 15 TRP HA H 1 4.101 0.020 . 1 . . . . A 13 TRP HA . 30556 1 79 . 1 . 1 15 15 TRP HB2 H 1 3.271 0.020 . 2 . . . . A 13 TRP HB2 . 30556 1 80 . 1 . 1 15 15 TRP HB3 H 1 3.271 0.020 . 2 . . . . A 13 TRP HB3 . 30556 1 81 . 1 . 1 15 15 TRP HD1 H 1 7.070 0.020 . 1 . . . . A 13 TRP HD1 . 30556 1 82 . 1 . 1 15 15 TRP HE1 H 1 10.363 0.020 . 1 . . . . A 13 TRP HE1 . 30556 1 83 . 1 . 1 15 15 TRP HZ2 H 1 7.487 0.020 . 1 . . . . A 13 TRP HZ2 . 30556 1 84 . 1 . 1 15 15 TRP C C 13 178.614 0.400 . 1 . . . . A 13 TRP C . 30556 1 85 . 1 . 1 15 15 TRP CA C 13 60.127 0.400 . 1 . . . . A 13 TRP CA . 30556 1 86 . 1 . 1 15 15 TRP CB C 13 28.566 0.400 . 1 . . . . A 13 TRP CB . 30556 1 87 . 1 . 1 15 15 TRP CD1 C 13 124.630 0.400 . 1 . . . . A 13 TRP CD1 . 30556 1 88 . 1 . 1 15 15 TRP CZ2 C 13 114.728 0.400 . 1 . . . . A 13 TRP CZ2 . 30556 1 89 . 1 . 1 15 15 TRP N N 15 120.977 0.400 . 1 . . . . A 13 TRP N . 30556 1 90 . 1 . 1 15 15 TRP NE1 N 15 129.742 0.400 . 1 . . . . A 13 TRP NE1 . 30556 1 91 . 1 . 1 16 16 GLY H H 1 8.328 0.020 . 1 . . . . A 14 GLY H . 30556 1 92 . 1 . 1 16 16 GLY HA2 H 1 3.940 0.020 . 2 . . . . A 14 GLY HA2 . 30556 1 93 . 1 . 1 16 16 GLY HA3 H 1 3.940 0.020 . 2 . . . . A 14 GLY HA3 . 30556 1 94 . 1 . 1 16 16 GLY C C 13 176.047 0.400 . 1 . . . . A 14 GLY C . 30556 1 95 . 1 . 1 16 16 GLY CA C 13 47.402 0.400 . 1 . . . . A 14 GLY CA . 30556 1 96 . 1 . 1 16 16 GLY N N 15 104.596 0.400 . 1 . . . . A 14 GLY N . 30556 1 97 . 1 . 1 17 17 ALA H H 1 7.934 0.020 . 1 . . . . A 15 ALA H . 30556 1 98 . 1 . 1 17 17 ALA HA H 1 4.224 0.020 . 1 . . . . A 15 ALA HA . 30556 1 99 . 1 . 1 17 17 ALA HB1 H 1 1.623 0.020 . 1 . . . . A 15 ALA HB1 . 30556 1 100 . 1 . 1 17 17 ALA HB2 H 1 1.623 0.020 . 1 . . . . A 15 ALA HB2 . 30556 1 101 . 1 . 1 17 17 ALA HB3 H 1 1.623 0.020 . 1 . . . . A 15 ALA HB3 . 30556 1 102 . 1 . 1 17 17 ALA C C 13 181.453 0.400 . 1 . . . . A 15 ALA C . 30556 1 103 . 1 . 1 17 17 ALA CA C 13 54.798 0.400 . 1 . . . . A 15 ALA CA . 30556 1 104 . 1 . 1 17 17 ALA CB C 13 18.487 0.400 . 1 . . . . A 15 ALA CB . 30556 1 105 . 1 . 1 17 17 ALA N N 15 125.020 0.400 . 1 . . . . A 15 ALA N . 30556 1 106 . 1 . 1 18 18 ARG H H 1 8.748 0.020 . 1 . . . . A 16 ARG H . 30556 1 107 . 1 . 1 18 18 ARG HA H 1 2.499 0.020 . 1 . . . . A 16 ARG HA . 30556 1 108 . 1 . 1 18 18 ARG HB2 H 1 1.286 0.020 . 2 . . . . A 16 ARG HB2 . 30556 1 109 . 1 . 1 18 18 ARG HB3 H 1 1.286 0.020 . 2 . . . . A 16 ARG HB3 . 30556 1 110 . 1 . 1 18 18 ARG HG2 H 1 -0.675 0.020 . 2 . . . . A 16 ARG HG2 . 30556 1 111 . 1 . 1 18 18 ARG HG3 H 1 -0.159 0.020 . 2 . . . . A 16 ARG HG3 . 30556 1 112 . 1 . 1 18 18 ARG HD2 H 1 0.458 0.020 . 2 . . . . A 16 ARG HD2 . 30556 1 113 . 1 . 1 18 18 ARG HD3 H 1 0.458 0.020 . 2 . . . . A 16 ARG HD3 . 30556 1 114 . 1 . 1 18 18 ARG HE H 1 5.812 0.020 . 1 . . . . A 16 ARG HE . 30556 1 115 . 1 . 1 18 18 ARG C C 13 176.805 0.400 . 1 . . . . A 16 ARG C . 30556 1 116 . 1 . 1 18 18 ARG CA C 13 58.752 0.400 . 1 . . . . A 16 ARG CA . 30556 1 117 . 1 . 1 18 18 ARG CB C 13 28.103 0.400 . 1 . . . . A 16 ARG CB . 30556 1 118 . 1 . 1 18 18 ARG CG C 13 23.468 0.400 . 1 . . . . A 16 ARG CG . 30556 1 119 . 1 . 1 18 18 ARG CD C 13 40.811 0.400 . 1 . . . . A 16 ARG CD . 30556 1 120 . 1 . 1 18 18 ARG N N 15 122.232 0.400 . 1 . . . . A 16 ARG N . 30556 1 121 . 1 . 1 18 18 ARG NE N 15 82.174 0.400 . 1 . . . . A 16 ARG NE . 30556 1 122 . 1 . 1 19 19 ASP H H 1 8.337 0.020 . 1 . . . . A 17 ASP H . 30556 1 123 . 1 . 1 19 19 ASP HA H 1 4.168 0.020 . 1 . . . . A 17 ASP HA . 30556 1 124 . 1 . 1 19 19 ASP HB2 H 1 2.854 0.020 . 2 . . . . A 17 ASP HB2 . 30556 1 125 . 1 . 1 19 19 ASP HB3 H 1 2.626 0.020 . 2 . . . . A 17 ASP HB3 . 30556 1 126 . 1 . 1 19 19 ASP C C 13 179.674 0.400 . 1 . . . . A 17 ASP C . 30556 1 127 . 1 . 1 19 19 ASP CA C 13 57.858 0.400 . 1 . . . . A 17 ASP CA . 30556 1 128 . 1 . 1 19 19 ASP CB C 13 39.321 0.400 . 1 . . . . A 17 ASP CB . 30556 1 129 . 1 . 1 19 19 ASP N N 15 119.053 0.400 . 1 . . . . A 17 ASP N . 30556 1 130 . 1 . 1 20 20 GLU H H 1 8.121 0.020 . 1 . . . . A 18 GLU H . 30556 1 131 . 1 . 1 20 20 GLU HA H 1 4.060 0.020 . 1 . . . . A 18 GLU HA . 30556 1 132 . 1 . 1 20 20 GLU HB2 H 1 2.110 0.020 . 2 . . . . A 18 GLU HB2 . 30556 1 133 . 1 . 1 20 20 GLU HB3 H 1 2.110 0.020 . 2 . . . . A 18 GLU HB3 . 30556 1 134 . 1 . 1 20 20 GLU HG2 H 1 2.365 0.020 . 2 . . . . A 18 GLU HG2 . 30556 1 135 . 1 . 1 20 20 GLU HG3 H 1 2.468 0.020 . 2 . . . . A 18 GLU HG3 . 30556 1 136 . 1 . 1 20 20 GLU C C 13 179.178 0.400 . 1 . . . . A 18 GLU C . 30556 1 137 . 1 . 1 20 20 GLU CA C 13 59.520 0.400 . 1 . . . . A 18 GLU CA . 30556 1 138 . 1 . 1 20 20 GLU CB C 13 29.856 0.400 . 1 . . . . A 18 GLU CB . 30556 1 139 . 1 . 1 20 20 GLU CG C 13 36.841 0.400 . 1 . . . . A 18 GLU CG . 30556 1 140 . 1 . 1 20 20 GLU N N 15 119.964 0.400 . 1 . . . . A 18 GLU N . 30556 1 141 . 1 . 1 21 21 TYR H H 1 7.726 0.020 . 1 . . . . A 19 TYR H . 30556 1 142 . 1 . 1 21 21 TYR HA H 1 4.358 0.020 . 1 . . . . A 19 TYR HA . 30556 1 143 . 1 . 1 21 21 TYR HB2 H 1 2.913 0.020 . 2 . . . . A 19 TYR HB2 . 30556 1 144 . 1 . 1 21 21 TYR HB3 H 1 2.767 0.020 . 2 . . . . A 19 TYR HB3 . 30556 1 145 . 1 . 1 21 21 TYR HD1 H 1 6.686 0.020 . 1 . . . . A 19 TYR HD1 . 30556 1 146 . 1 . 1 21 21 TYR HD2 H 1 6.686 0.020 . 1 . . . . A 19 TYR HD2 . 30556 1 147 . 1 . 1 21 21 TYR HE1 H 1 6.667 0.020 . 1 . . . . A 19 TYR HE1 . 30556 1 148 . 1 . 1 21 21 TYR HE2 H 1 6.667 0.020 . 1 . . . . A 19 TYR HE2 . 30556 1 149 . 1 . 1 21 21 TYR C C 13 176.513 0.400 . 1 . . . . A 19 TYR C . 30556 1 150 . 1 . 1 21 21 TYR CA C 13 61.348 0.400 . 1 . . . . A 19 TYR CA . 30556 1 151 . 1 . 1 21 21 TYR CB C 13 37.904 0.400 . 1 . . . . A 19 TYR CB . 30556 1 152 . 1 . 1 21 21 TYR CD1 C 13 133.439 0.400 . 1 . . . . A 19 TYR CD1 . 30556 1 153 . 1 . 1 21 21 TYR CE1 C 13 118.056 0.400 . 1 . . . . A 19 TYR CE1 . 30556 1 154 . 1 . 1 21 21 TYR N N 15 121.117 0.400 . 1 . . . . A 19 TYR N . 30556 1 155 . 1 . 1 22 22 TRP H H 1 9.025 0.020 . 1 . . . . A 20 TRP H . 30556 1 156 . 1 . 1 22 22 TRP HA H 1 4.002 0.020 . 1 . . . . A 20 TRP HA . 30556 1 157 . 1 . 1 22 22 TRP HB2 H 1 3.279 0.020 . 2 . . . . A 20 TRP HB2 . 30556 1 158 . 1 . 1 22 22 TRP HB3 H 1 3.155 0.020 . 2 . . . . A 20 TRP HB3 . 30556 1 159 . 1 . 1 22 22 TRP HE1 H 1 10.092 0.020 . 1 . . . . A 20 TRP HE1 . 30556 1 160 . 1 . 1 22 22 TRP HZ2 H 1 7.367 0.020 . 1 . . . . A 20 TRP HZ2 . 30556 1 161 . 1 . 1 22 22 TRP C C 13 177.687 0.400 . 1 . . . . A 20 TRP C . 30556 1 162 . 1 . 1 22 22 TRP CA C 13 58.818 0.400 . 1 . . . . A 20 TRP CA . 30556 1 163 . 1 . 1 22 22 TRP CB C 13 28.716 0.400 . 1 . . . . A 20 TRP CB . 30556 1 164 . 1 . 1 22 22 TRP CZ2 C 13 114.176 0.400 . 1 . . . . A 20 TRP CZ2 . 30556 1 165 . 1 . 1 22 22 TRP N N 15 120.546 0.400 . 1 . . . . A 20 TRP N . 30556 1 166 . 1 . 1 22 22 TRP NE1 N 15 127.800 0.400 . 1 . . . . A 20 TRP NE1 . 30556 1 167 . 1 . 1 23 23 LYS C C 13 176.671 0.400 . 1 . . . . A 21 LYS C . 30556 1 168 . 1 . 1 24 24 CYS H H 1 8.436 0.020 . 1 . . . . A 22 CYS H . 30556 1 169 . 1 . 1 24 24 CYS HA H 1 4.199 0.020 . 1 . . . . A 22 CYS HA . 30556 1 170 . 1 . 1 24 24 CYS HB2 H 1 2.604 0.020 . 2 . . . . A 22 CYS HB2 . 30556 1 171 . 1 . 1 24 24 CYS HB3 H 1 2.604 0.020 . 2 . . . . A 22 CYS HB3 . 30556 1 172 . 1 . 1 24 24 CYS C C 13 177.394 0.400 . 1 . . . . A 22 CYS C . 30556 1 173 . 1 . 1 24 24 CYS CA C 13 57.839 0.400 . 1 . . . . A 22 CYS CA . 30556 1 174 . 1 . 1 24 24 CYS CB C 13 32.450 0.400 . 1 . . . . A 22 CYS CB . 30556 1 175 . 1 . 1 24 24 CYS N N 15 119.435 0.400 . 1 . . . . A 22 CYS N . 30556 1 176 . 1 . 1 25 25 LEU H H 1 8.018 0.020 . 1 . . . . A 23 LEU H . 30556 1 177 . 1 . 1 25 25 LEU HA H 1 4.342 0.020 . 1 . . . . A 23 LEU HA . 30556 1 178 . 1 . 1 25 25 LEU HB2 H 1 1.673 0.020 . 2 . . . . A 23 LEU HB2 . 30556 1 179 . 1 . 1 25 25 LEU HB3 H 1 1.673 0.020 . 2 . . . . A 23 LEU HB3 . 30556 1 180 . 1 . 1 25 25 LEU HG H 1 1.722 0.020 . 1 . . . . A 23 LEU HG . 30556 1 181 . 1 . 1 25 25 LEU HD11 H 1 0.739 0.020 . 2 . . . . A 23 LEU HD11 . 30556 1 182 . 1 . 1 25 25 LEU HD12 H 1 0.739 0.020 . 2 . . . . A 23 LEU HD12 . 30556 1 183 . 1 . 1 25 25 LEU HD13 H 1 0.739 0.020 . 2 . . . . A 23 LEU HD13 . 30556 1 184 . 1 . 1 25 25 LEU HD21 H 1 0.754 0.020 . 2 . . . . A 23 LEU HD21 . 30556 1 185 . 1 . 1 25 25 LEU HD22 H 1 0.754 0.020 . 2 . . . . A 23 LEU HD22 . 30556 1 186 . 1 . 1 25 25 LEU HD23 H 1 0.754 0.020 . 2 . . . . A 23 LEU HD23 . 30556 1 187 . 1 . 1 25 25 LEU C C 13 176.846 0.400 . 1 . . . . A 23 LEU C . 30556 1 188 . 1 . 1 25 25 LEU CA C 13 58.549 0.400 . 1 . . . . A 23 LEU CA . 30556 1 189 . 1 . 1 25 25 LEU CB C 13 42.425 0.400 . 1 . . . . A 23 LEU CB . 30556 1 190 . 1 . 1 25 25 LEU CG C 13 27.135 0.400 . 1 . . . . A 23 LEU CG . 30556 1 191 . 1 . 1 25 25 LEU CD1 C 13 25.580 0.400 . 1 . . . . A 23 LEU CD1 . 30556 1 192 . 1 . 1 25 25 LEU CD2 C 13 22.547 0.400 . 1 . . . . A 23 LEU CD2 . 30556 1 193 . 1 . 1 25 25 LEU N N 15 119.871 0.400 . 1 . . . . A 23 LEU N . 30556 1 194 . 1 . 1 26 26 ASP H H 1 8.317 0.020 . 1 . . . . A 24 ASP H . 30556 1 195 . 1 . 1 26 26 ASP HA H 1 4.275 0.020 . 1 . . . . A 24 ASP HA . 30556 1 196 . 1 . 1 26 26 ASP HB2 H 1 3.000 0.020 . 2 . . . . A 24 ASP HB2 . 30556 1 197 . 1 . 1 26 26 ASP HB3 H 1 2.647 0.020 . 2 . . . . A 24 ASP HB3 . 30556 1 198 . 1 . 1 26 26 ASP C C 13 179.977 0.400 . 1 . . . . A 24 ASP C . 30556 1 199 . 1 . 1 26 26 ASP CA C 13 57.260 0.400 . 1 . . . . A 24 ASP CA . 30556 1 200 . 1 . 1 26 26 ASP CB C 13 40.233 0.400 . 1 . . . . A 24 ASP CB . 30556 1 201 . 1 . 1 26 26 ASP N N 15 120.584 0.400 . 1 . . . . A 24 ASP N . 30556 1 202 . 1 . 1 27 27 GLU H H 1 8.105 0.020 . 1 . . . . A 25 GLU H . 30556 1 203 . 1 . 1 27 27 GLU HA H 1 4.117 0.020 . 1 . . . . A 25 GLU HA . 30556 1 204 . 1 . 1 27 27 GLU HB2 H 1 2.088 0.020 . 2 . . . . A 25 GLU HB2 . 30556 1 205 . 1 . 1 27 27 GLU HB3 H 1 2.088 0.020 . 2 . . . . A 25 GLU HB3 . 30556 1 206 . 1 . 1 27 27 GLU HG2 H 1 2.512 0.020 . 2 . . . . A 25 GLU HG2 . 30556 1 207 . 1 . 1 27 27 GLU HG3 H 1 2.288 0.020 . 2 . . . . A 25 GLU HG3 . 30556 1 208 . 1 . 1 27 27 GLU C C 13 177.089 0.400 . 1 . . . . A 25 GLU C . 30556 1 209 . 1 . 1 27 27 GLU CA C 13 58.033 0.400 . 1 . . . . A 25 GLU CA . 30556 1 210 . 1 . 1 27 27 GLU CB C 13 30.272 0.400 . 1 . . . . A 25 GLU CB . 30556 1 211 . 1 . 1 27 27 GLU CG C 13 36.590 0.400 . 1 . . . . A 25 GLU CG . 30556 1 212 . 1 . 1 27 27 GLU N N 15 118.788 0.400 . 1 . . . . A 25 GLU N . 30556 1 213 . 1 . 1 28 28 ASN H H 1 7.668 0.020 . 1 . . . . A 26 ASN H . 30556 1 214 . 1 . 1 28 28 ASN HA H 1 4.969 0.020 . 1 . . . . A 26 ASN HA . 30556 1 215 . 1 . 1 28 28 ASN HB2 H 1 2.895 0.020 . 2 . . . . A 26 ASN HB2 . 30556 1 216 . 1 . 1 28 28 ASN HB3 H 1 2.479 0.020 . 2 . . . . A 26 ASN HB3 . 30556 1 217 . 1 . 1 28 28 ASN HD21 H 1 7.859 0.020 . 2 . . . . A 26 ASN HD21 . 30556 1 218 . 1 . 1 28 28 ASN HD22 H 1 7.454 0.020 . 2 . . . . A 26 ASN HD22 . 30556 1 219 . 1 . 1 28 28 ASN C C 13 174.571 0.400 . 1 . . . . A 26 ASN C . 30556 1 220 . 1 . 1 28 28 ASN CA C 13 53.340 0.400 . 1 . . . . A 26 ASN CA . 30556 1 221 . 1 . 1 28 28 ASN CB C 13 39.542 0.400 . 1 . . . . A 26 ASN CB . 30556 1 222 . 1 . 1 28 28 ASN N N 15 115.906 0.400 . 1 . . . . A 26 ASN N . 30556 1 223 . 1 . 1 28 28 ASN ND2 N 15 120.233 0.400 . 1 . . . . A 26 ASN ND2 . 30556 1 224 . 1 . 1 29 29 LEU H H 1 7.910 0.020 . 1 . . . . A 27 LEU H . 30556 1 225 . 1 . 1 29 29 LEU HA H 1 4.128 0.020 . 1 . . . . A 27 LEU HA . 30556 1 226 . 1 . 1 29 29 LEU HB2 H 1 1.809 0.020 . 2 . . . . A 27 LEU HB2 . 30556 1 227 . 1 . 1 29 29 LEU HB3 H 1 1.582 0.020 . 2 . . . . A 27 LEU HB3 . 30556 1 228 . 1 . 1 29 29 LEU HG H 1 1.617 0.020 . 1 . . . . A 27 LEU HG . 30556 1 229 . 1 . 1 29 29 LEU HD11 H 1 0.909 0.020 . 2 . . . . A 27 LEU HD11 . 30556 1 230 . 1 . 1 29 29 LEU HD12 H 1 0.909 0.020 . 2 . . . . A 27 LEU HD12 . 30556 1 231 . 1 . 1 29 29 LEU HD13 H 1 0.909 0.020 . 2 . . . . A 27 LEU HD13 . 30556 1 232 . 1 . 1 29 29 LEU HD21 H 1 0.870 0.020 . 2 . . . . A 27 LEU HD21 . 30556 1 233 . 1 . 1 29 29 LEU HD22 H 1 0.870 0.020 . 2 . . . . A 27 LEU HD22 . 30556 1 234 . 1 . 1 29 29 LEU HD23 H 1 0.870 0.020 . 2 . . . . A 27 LEU HD23 . 30556 1 235 . 1 . 1 29 29 LEU C C 13 177.328 0.400 . 1 . . . . A 27 LEU C . 30556 1 236 . 1 . 1 29 29 LEU CA C 13 56.551 0.400 . 1 . . . . A 27 LEU CA . 30556 1 237 . 1 . 1 29 29 LEU CB C 13 39.255 0.400 . 1 . . . . A 27 LEU CB . 30556 1 238 . 1 . 1 29 29 LEU CG C 13 27.157 0.400 . 1 . . . . A 27 LEU CG . 30556 1 239 . 1 . 1 29 29 LEU CD1 C 13 25.313 0.400 . 1 . . . . A 27 LEU CD1 . 30556 1 240 . 1 . 1 29 29 LEU CD2 C 13 23.434 0.400 . 1 . . . . A 27 LEU CD2 . 30556 1 241 . 1 . 1 29 29 LEU N N 15 119.998 0.400 . 1 . . . . A 27 LEU N . 30556 1 242 . 1 . 1 30 30 GLU H H 1 9.014 0.020 . 1 . . . . A 28 GLU H . 30556 1 243 . 1 . 1 30 30 GLU HA H 1 3.547 0.020 . 1 . . . . A 28 GLU HA . 30556 1 244 . 1 . 1 30 30 GLU HB2 H 1 2.334 0.020 . 2 . . . . A 28 GLU HB2 . 30556 1 245 . 1 . 1 30 30 GLU HB3 H 1 1.965 0.020 . 2 . . . . A 28 GLU HB3 . 30556 1 246 . 1 . 1 30 30 GLU HG2 H 1 2.175 0.020 . 2 . . . . A 28 GLU HG2 . 30556 1 247 . 1 . 1 30 30 GLU HG3 H 1 2.175 0.020 . 2 . . . . A 28 GLU HG3 . 30556 1 248 . 1 . 1 30 30 GLU C C 13 176.152 0.400 . 1 . . . . A 28 GLU C . 30556 1 249 . 1 . 1 30 30 GLU CA C 13 57.183 0.400 . 1 . . . . A 28 GLU CA . 30556 1 250 . 1 . 1 30 30 GLU CB C 13 29.541 0.400 . 1 . . . . A 28 GLU CB . 30556 1 251 . 1 . 1 30 30 GLU CG C 13 36.552 0.400 . 1 . . . . A 28 GLU CG . 30556 1 252 . 1 . 1 30 30 GLU N N 15 113.701 0.400 . 1 . . . . A 28 GLU N . 30556 1 253 . 1 . 1 31 31 ASP H H 1 7.494 0.020 . 1 . . . . A 29 ASP H . 30556 1 254 . 1 . 1 31 31 ASP HA H 1 4.698 0.020 . 1 . . . . A 29 ASP HA . 30556 1 255 . 1 . 1 31 31 ASP HB2 H 1 3.018 0.020 . 2 . . . . A 29 ASP HB2 . 30556 1 256 . 1 . 1 31 31 ASP HB3 H 1 2.666 0.020 . 2 . . . . A 29 ASP HB3 . 30556 1 257 . 1 . 1 31 31 ASP C C 13 175.738 0.400 . 1 . . . . A 29 ASP C . 30556 1 258 . 1 . 1 31 31 ASP CA C 13 53.130 0.400 . 1 . . . . A 29 ASP CA . 30556 1 259 . 1 . 1 31 31 ASP CB C 13 39.892 0.400 . 1 . . . . A 29 ASP CB . 30556 1 260 . 1 . 1 31 31 ASP N N 15 118.486 0.400 . 1 . . . . A 29 ASP N . 30556 1 261 . 1 . 1 32 32 ALA H H 1 8.369 0.020 . 1 . . . . A 30 ALA H . 30556 1 262 . 1 . 1 32 32 ALA HA H 1 3.774 0.020 . 1 . . . . A 30 ALA HA . 30556 1 263 . 1 . 1 32 32 ALA HB1 H 1 1.521 0.020 . 1 . . . . A 30 ALA HB1 . 30556 1 264 . 1 . 1 32 32 ALA HB2 H 1 1.521 0.020 . 1 . . . . A 30 ALA HB2 . 30556 1 265 . 1 . 1 32 32 ALA HB3 H 1 1.521 0.020 . 1 . . . . A 30 ALA HB3 . 30556 1 266 . 1 . 1 32 32 ALA C C 13 180.711 0.400 . 1 . . . . A 30 ALA C . 30556 1 267 . 1 . 1 32 32 ALA CA C 13 54.551 0.400 . 1 . . . . A 30 ALA CA . 30556 1 268 . 1 . 1 32 32 ALA CB C 13 18.570 0.400 . 1 . . . . A 30 ALA CB . 30556 1 269 . 1 . 1 32 32 ALA N N 15 128.011 0.400 . 1 . . . . A 30 ALA N . 30556 1 270 . 1 . 1 33 33 SER H H 1 8.478 0.020 . 1 . . . . A 31 SER H . 30556 1 271 . 1 . 1 33 33 SER HA H 1 4.234 0.020 . 1 . . . . A 31 SER HA . 30556 1 272 . 1 . 1 33 33 SER HB2 H 1 4.051 0.020 . 2 . . . . A 31 SER HB2 . 30556 1 273 . 1 . 1 33 33 SER HB3 H 1 4.051 0.020 . 2 . . . . A 31 SER HB3 . 30556 1 274 . 1 . 1 33 33 SER C C 13 176.514 0.400 . 1 . . . . A 31 SER C . 30556 1 275 . 1 . 1 33 33 SER CA C 13 61.882 0.400 . 1 . . . . A 31 SER CA . 30556 1 276 . 1 . 1 33 33 SER CB C 13 62.630 0.400 . 1 . . . . A 31 SER CB . 30556 1 277 . 1 . 1 33 33 SER N N 15 116.010 0.400 . 1 . . . . A 31 SER N . 30556 1 278 . 1 . 1 34 34 GLN H H 1 7.636 0.020 . 1 . . . . A 32 GLN H . 30556 1 279 . 1 . 1 34 34 GLN HA H 1 4.301 0.020 . 1 . . . . A 32 GLN HA . 30556 1 280 . 1 . 1 34 34 GLN HB2 H 1 1.931 0.020 . 2 . . . . A 32 GLN HB2 . 30556 1 281 . 1 . 1 34 34 GLN HB3 H 1 1.931 0.020 . 2 . . . . A 32 GLN HB3 . 30556 1 282 . 1 . 1 34 34 GLN HG2 H 1 2.167 0.020 . 2 . . . . A 32 GLN HG2 . 30556 1 283 . 1 . 1 34 34 GLN HG3 H 1 2.167 0.020 . 2 . . . . A 32 GLN HG3 . 30556 1 284 . 1 . 1 34 34 GLN HE21 H 1 6.897 0.020 . 2 . . . . A 32 GLN HE21 . 30556 1 285 . 1 . 1 34 34 GLN HE22 H 1 7.450 0.020 . 2 . . . . A 32 GLN HE22 . 30556 1 286 . 1 . 1 34 34 GLN CA C 13 55.686 0.400 . 1 . . . . A 32 GLN CA . 30556 1 287 . 1 . 1 34 34 GLN CB C 13 29.463 0.400 . 1 . . . . A 32 GLN CB . 30556 1 288 . 1 . 1 34 34 GLN CG C 13 33.721 0.400 . 1 . . . . A 32 GLN CG . 30556 1 289 . 1 . 1 34 34 GLN N N 15 119.347 0.400 . 1 . . . . A 32 GLN N . 30556 1 290 . 1 . 1 34 34 GLN NE2 N 15 111.775 0.400 . 1 . . . . A 32 GLN NE2 . 30556 1 291 . 1 . 1 35 35 CYS H H 1 8.124 0.020 . 1 . . . . A 33 CYS H . 30556 1 292 . 1 . 1 35 35 CYS HA H 1 4.138 0.020 . 1 . . . . A 33 CYS HA . 30556 1 293 . 1 . 1 35 35 CYS HB2 H 1 1.919 0.020 . 2 . . . . A 33 CYS HB2 . 30556 1 294 . 1 . 1 35 35 CYS HB3 H 1 1.919 0.020 . 2 . . . . A 33 CYS HB3 . 30556 1 295 . 1 . 1 35 35 CYS C C 13 178.037 0.400 . 1 . . . . A 33 CYS C . 30556 1 296 . 1 . 1 35 35 CYS CA C 13 59.538 0.400 . 1 . . . . A 33 CYS CA . 30556 1 297 . 1 . 1 35 35 CYS CB C 13 32.006 0.400 . 1 . . . . A 33 CYS CB . 30556 1 298 . 1 . 1 35 35 CYS N N 15 119.681 0.400 . 1 . . . . A 33 CYS N . 30556 1 299 . 1 . 1 36 36 LYS H H 1 7.435 0.020 . 1 . . . . A 34 LYS H . 30556 1 300 . 1 . 1 36 36 LYS HA H 1 4.115 0.020 . 1 . . . . A 34 LYS HA . 30556 1 301 . 1 . 1 36 36 LYS HB2 H 1 1.964 0.020 . 2 . . . . A 34 LYS HB2 . 30556 1 302 . 1 . 1 36 36 LYS HB3 H 1 1.964 0.020 . 2 . . . . A 34 LYS HB3 . 30556 1 303 . 1 . 1 36 36 LYS HG2 H 1 1.541 0.020 . 2 . . . . A 34 LYS HG2 . 30556 1 304 . 1 . 1 36 36 LYS HG3 H 1 1.649 0.020 . 2 . . . . A 34 LYS HG3 . 30556 1 305 . 1 . 1 36 36 LYS HD2 H 1 1.791 0.020 . 2 . . . . A 34 LYS HD2 . 30556 1 306 . 1 . 1 36 36 LYS HD3 H 1 1.791 0.020 . 2 . . . . A 34 LYS HD3 . 30556 1 307 . 1 . 1 36 36 LYS HE2 H 1 3.046 0.020 . 2 . . . . A 34 LYS HE2 . 30556 1 308 . 1 . 1 36 36 LYS HE3 H 1 3.046 0.020 . 2 . . . . A 34 LYS HE3 . 30556 1 309 . 1 . 1 36 36 LYS CA C 13 60.641 0.400 . 1 . . . . A 34 LYS CA . 30556 1 310 . 1 . 1 36 36 LYS CB C 13 32.817 0.400 . 1 . . . . A 34 LYS CB . 30556 1 311 . 1 . 1 36 36 LYS CG C 13 25.201 0.400 . 1 . . . . A 34 LYS CG . 30556 1 312 . 1 . 1 36 36 LYS CD C 13 29.363 0.400 . 1 . . . . A 34 LYS CD . 30556 1 313 . 1 . 1 36 36 LYS CE C 13 41.986 0.400 . 1 . . . . A 34 LYS CE . 30556 1 314 . 1 . 1 36 36 LYS N N 15 118.965 0.400 . 1 . . . . A 34 LYS N . 30556 1 315 . 1 . 1 37 37 LYS H H 1 8.780 0.020 . 1 . . . . A 35 LYS H . 30556 1 316 . 1 . 1 37 37 LYS HA H 1 4.255 0.020 . 1 . . . . A 35 LYS HA . 30556 1 317 . 1 . 1 37 37 LYS HB2 H 1 1.927 0.020 . 2 . . . . A 35 LYS HB2 . 30556 1 318 . 1 . 1 37 37 LYS HB3 H 1 1.927 0.020 . 2 . . . . A 35 LYS HB3 . 30556 1 319 . 1 . 1 37 37 LYS HG2 H 1 1.590 0.020 . 2 . . . . A 35 LYS HG2 . 30556 1 320 . 1 . 1 37 37 LYS HG3 H 1 1.590 0.020 . 2 . . . . A 35 LYS HG3 . 30556 1 321 . 1 . 1 37 37 LYS HD2 H 1 1.757 0.020 . 2 . . . . A 35 LYS HD2 . 30556 1 322 . 1 . 1 37 37 LYS HD3 H 1 1.757 0.020 . 2 . . . . A 35 LYS HD3 . 30556 1 323 . 1 . 1 37 37 LYS HE2 H 1 2.997 0.020 . 2 . . . . A 35 LYS HE2 . 30556 1 324 . 1 . 1 37 37 LYS HE3 H 1 2.997 0.020 . 2 . . . . A 35 LYS HE3 . 30556 1 325 . 1 . 1 37 37 LYS C C 13 179.851 0.400 . 1 . . . . A 35 LYS C . 30556 1 326 . 1 . 1 37 37 LYS CA C 13 59.971 0.400 . 1 . . . . A 35 LYS CA . 30556 1 327 . 1 . 1 37 37 LYS CB C 13 31.590 0.400 . 1 . . . . A 35 LYS CB . 30556 1 328 . 1 . 1 37 37 LYS CG C 13 25.295 0.400 . 1 . . . . A 35 LYS CG . 30556 1 329 . 1 . 1 37 37 LYS CD C 13 29.309 0.400 . 1 . . . . A 35 LYS CD . 30556 1 330 . 1 . 1 37 37 LYS CE C 13 42.253 0.400 . 1 . . . . A 35 LYS CE . 30556 1 331 . 1 . 1 37 37 LYS N N 15 121.083 0.400 . 1 . . . . A 35 LYS N . 30556 1 332 . 1 . 1 38 38 LEU H H 1 7.807 0.020 . 1 . . . . A 36 LEU H . 30556 1 333 . 1 . 1 38 38 LEU HA H 1 4.351 0.020 . 1 . . . . A 36 LEU HA . 30556 1 334 . 1 . 1 38 38 LEU HB2 H 1 2.096 0.020 . 2 . . . . A 36 LEU HB2 . 30556 1 335 . 1 . 1 38 38 LEU HB3 H 1 1.640 0.020 . 2 . . . . A 36 LEU HB3 . 30556 1 336 . 1 . 1 38 38 LEU HG H 1 1.867 0.020 . 1 . . . . A 36 LEU HG . 30556 1 337 . 1 . 1 38 38 LEU HD11 H 1 1.103 0.020 . 2 . . . . A 36 LEU HD11 . 30556 1 338 . 1 . 1 38 38 LEU HD12 H 1 1.103 0.020 . 2 . . . . A 36 LEU HD12 . 30556 1 339 . 1 . 1 38 38 LEU HD13 H 1 1.103 0.020 . 2 . . . . A 36 LEU HD13 . 30556 1 340 . 1 . 1 38 38 LEU HD21 H 1 1.003 0.020 . 2 . . . . A 36 LEU HD21 . 30556 1 341 . 1 . 1 38 38 LEU HD22 H 1 1.003 0.020 . 2 . . . . A 36 LEU HD22 . 30556 1 342 . 1 . 1 38 38 LEU HD23 H 1 1.003 0.020 . 2 . . . . A 36 LEU HD23 . 30556 1 343 . 1 . 1 38 38 LEU C C 13 180.790 0.400 . 1 . . . . A 36 LEU C . 30556 1 344 . 1 . 1 38 38 LEU CA C 13 56.917 0.400 . 1 . . . . A 36 LEU CA . 30556 1 345 . 1 . 1 38 38 LEU CB C 13 42.331 0.400 . 1 . . . . A 36 LEU CB . 30556 1 346 . 1 . 1 38 38 LEU CG C 13 27.983 0.400 . 1 . . . . A 36 LEU CG . 30556 1 347 . 1 . 1 38 38 LEU CD1 C 13 26.431 0.400 . 1 . . . . A 36 LEU CD1 . 30556 1 348 . 1 . 1 38 38 LEU CD2 C 13 23.499 0.400 . 1 . . . . A 36 LEU CD2 . 30556 1 349 . 1 . 1 38 38 LEU N N 15 119.781 0.400 . 1 . . . . A 36 LEU N . 30556 1 350 . 1 . 1 39 39 ARG H H 1 8.902 0.020 . 1 . . . . A 37 ARG H . 30556 1 351 . 1 . 1 39 39 ARG HA H 1 3.472 0.020 . 1 . . . . A 37 ARG HA . 30556 1 352 . 1 . 1 39 39 ARG HB2 H 1 2.284 0.020 . 2 . . . . A 37 ARG HB2 . 30556 1 353 . 1 . 1 39 39 ARG HB3 H 1 2.284 0.020 . 2 . . . . A 37 ARG HB3 . 30556 1 354 . 1 . 1 39 39 ARG HG2 H 1 1.356 0.020 . 2 . . . . A 37 ARG HG2 . 30556 1 355 . 1 . 1 39 39 ARG HG3 H 1 1.356 0.020 . 2 . . . . A 37 ARG HG3 . 30556 1 356 . 1 . 1 39 39 ARG HD2 H 1 2.714 0.020 . 2 . . . . A 37 ARG HD2 . 30556 1 357 . 1 . 1 39 39 ARG HD3 H 1 2.714 0.020 . 2 . . . . A 37 ARG HD3 . 30556 1 358 . 1 . 1 39 39 ARG C C 13 178.117 0.400 . 1 . . . . A 37 ARG C . 30556 1 359 . 1 . 1 39 39 ARG CA C 13 58.050 0.400 . 1 . . . . A 37 ARG CA . 30556 1 360 . 1 . 1 39 39 ARG CB C 13 28.271 0.400 . 1 . . . . A 37 ARG CB . 30556 1 361 . 1 . 1 39 39 ARG CG C 13 24.827 0.400 . 1 . . . . A 37 ARG CG . 30556 1 362 . 1 . 1 39 39 ARG CD C 13 41.509 0.400 . 1 . . . . A 37 ARG CD . 30556 1 363 . 1 . 1 39 39 ARG N N 15 124.394 0.400 . 1 . . . . A 37 ARG N . 30556 1 364 . 1 . 1 40 40 SER H H 1 8.092 0.020 . 1 . . . . A 38 SER H . 30556 1 365 . 1 . 1 40 40 SER HA H 1 4.319 0.020 . 1 . . . . A 38 SER HA . 30556 1 366 . 1 . 1 40 40 SER HB2 H 1 4.050 0.020 . 2 . . . . A 38 SER HB2 . 30556 1 367 . 1 . 1 40 40 SER HB3 H 1 4.050 0.020 . 2 . . . . A 38 SER HB3 . 30556 1 368 . 1 . 1 40 40 SER C C 13 177.633 0.400 . 1 . . . . A 38 SER C . 30556 1 369 . 1 . 1 40 40 SER CA C 13 62.208 0.400 . 1 . . . . A 38 SER CA . 30556 1 370 . 1 . 1 40 40 SER CB C 13 62.302 0.400 . 1 . . . . A 38 SER CB . 30556 1 371 . 1 . 1 40 40 SER N N 15 115.744 0.400 . 1 . . . . A 38 SER N . 30556 1 372 . 1 . 1 41 41 SER H H 1 7.895 0.020 . 1 . . . . A 39 SER H . 30556 1 373 . 1 . 1 41 41 SER HA H 1 4.319 0.020 . 1 . . . . A 39 SER HA . 30556 1 374 . 1 . 1 41 41 SER HB2 H 1 3.965 0.020 . 2 . . . . A 39 SER HB2 . 30556 1 375 . 1 . 1 41 41 SER HB3 H 1 3.965 0.020 . 2 . . . . A 39 SER HB3 . 30556 1 376 . 1 . 1 41 41 SER C C 13 176.632 0.400 . 1 . . . . A 39 SER C . 30556 1 377 . 1 . 1 41 41 SER CA C 13 61.726 0.400 . 1 . . . . A 39 SER CA . 30556 1 378 . 1 . 1 41 41 SER CB C 13 62.699 0.400 . 1 . . . . A 39 SER CB . 30556 1 379 . 1 . 1 41 41 SER N N 15 116.877 0.400 . 1 . . . . A 39 SER N . 30556 1 380 . 1 . 1 42 42 PHE H H 1 7.982 0.020 . 1 . . . . A 40 PHE H . 30556 1 381 . 1 . 1 42 42 PHE HA H 1 4.331 0.020 . 1 . . . . A 40 PHE HA . 30556 1 382 . 1 . 1 42 42 PHE HB2 H 1 3.023 0.020 . 2 . . . . A 40 PHE HB2 . 30556 1 383 . 1 . 1 42 42 PHE HB3 H 1 3.277 0.020 . 2 . . . . A 40 PHE HB3 . 30556 1 384 . 1 . 1 42 42 PHE HD1 H 1 7.035 0.020 . 1 . . . . A 40 PHE HD1 . 30556 1 385 . 1 . 1 42 42 PHE HD2 H 1 7.035 0.020 . 1 . . . . A 40 PHE HD2 . 30556 1 386 . 1 . 1 42 42 PHE C C 13 176.039 0.400 . 1 . . . . A 40 PHE C . 30556 1 387 . 1 . 1 42 42 PHE CA C 13 59.367 0.400 . 1 . . . . A 40 PHE CA . 30556 1 388 . 1 . 1 42 42 PHE CB C 13 38.900 0.400 . 1 . . . . A 40 PHE CB . 30556 1 389 . 1 . 1 42 42 PHE CD1 C 13 131.435 0.400 . 1 . . . . A 40 PHE CD1 . 30556 1 390 . 1 . 1 42 42 PHE N N 15 124.939 0.400 . 1 . . . . A 40 PHE N . 30556 1 391 . 1 . 1 43 43 GLU H H 1 8.401 0.020 . 1 . . . . A 41 GLU H . 30556 1 392 . 1 . 1 43 43 GLU HA H 1 3.669 0.020 . 1 . . . . A 41 GLU HA . 30556 1 393 . 1 . 1 43 43 GLU HB2 H 1 2.030 0.020 . 2 . . . . A 41 GLU HB2 . 30556 1 394 . 1 . 1 43 43 GLU HB3 H 1 2.030 0.020 . 2 . . . . A 41 GLU HB3 . 30556 1 395 . 1 . 1 43 43 GLU HG2 H 1 2.359 0.020 . 2 . . . . A 41 GLU HG2 . 30556 1 396 . 1 . 1 43 43 GLU HG3 H 1 1.952 0.020 . 2 . . . . A 41 GLU HG3 . 30556 1 397 . 1 . 1 43 43 GLU C C 13 178.270 0.400 . 1 . . . . A 41 GLU C . 30556 1 398 . 1 . 1 43 43 GLU CA C 13 58.748 0.400 . 1 . . . . A 41 GLU CA . 30556 1 399 . 1 . 1 43 43 GLU CB C 13 29.258 0.400 . 1 . . . . A 41 GLU CB . 30556 1 400 . 1 . 1 43 43 GLU CG C 13 37.187 0.400 . 1 . . . . A 41 GLU CG . 30556 1 401 . 1 . 1 43 43 GLU N N 15 116.356 0.400 . 1 . . . . A 41 GLU N . 30556 1 402 . 1 . 1 44 44 SER H H 1 7.913 0.020 . 1 . . . . A 42 SER H . 30556 1 403 . 1 . 1 44 44 SER HA H 1 4.449 0.020 . 1 . . . . A 42 SER HA . 30556 1 404 . 1 . 1 44 44 SER HB2 H 1 3.942 0.020 . 2 . . . . A 42 SER HB2 . 30556 1 405 . 1 . 1 44 44 SER HB3 H 1 3.942 0.020 . 2 . . . . A 42 SER HB3 . 30556 1 406 . 1 . 1 44 44 SER C C 13 175.951 0.400 . 1 . . . . A 42 SER C . 30556 1 407 . 1 . 1 44 44 SER CA C 13 60.138 0.400 . 1 . . . . A 42 SER CA . 30556 1 408 . 1 . 1 44 44 SER CB C 13 63.646 0.400 . 1 . . . . A 42 SER CB . 30556 1 409 . 1 . 1 44 44 SER N N 15 110.645 0.400 . 1 . . . . A 42 SER N . 30556 1 410 . 1 . 1 45 45 SER H H 1 7.582 0.020 . 1 . . . . A 43 SER H . 30556 1 411 . 1 . 1 45 45 SER HA H 1 4.566 0.020 . 1 . . . . A 43 SER HA . 30556 1 412 . 1 . 1 45 45 SER HB2 H 1 3.902 0.020 . 2 . . . . A 43 SER HB2 . 30556 1 413 . 1 . 1 45 45 SER HB3 H 1 3.902 0.020 . 2 . . . . A 43 SER HB3 . 30556 1 414 . 1 . 1 45 45 SER C C 13 172.737 0.400 . 1 . . . . A 43 SER C . 30556 1 415 . 1 . 1 45 45 SER CA C 13 59.986 0.400 . 1 . . . . A 43 SER CA . 30556 1 416 . 1 . 1 45 45 SER CB C 13 65.424 0.400 . 1 . . . . A 43 SER CB . 30556 1 417 . 1 . 1 45 45 SER N N 15 114.459 0.400 . 1 . . . . A 43 SER N . 30556 1 418 . 1 . 1 46 46 CYS H H 1 7.146 0.020 . 1 . . . . A 44 CYS H . 30556 1 419 . 1 . 1 46 46 CYS HA H 1 5.196 0.020 . 1 . . . . A 44 CYS HA . 30556 1 420 . 1 . 1 46 46 CYS HB2 H 1 2.573 0.020 . 2 . . . . A 44 CYS HB2 . 30556 1 421 . 1 . 1 46 46 CYS HB3 H 1 2.941 0.020 . 2 . . . . A 44 CYS HB3 . 30556 1 422 . 1 . 1 46 46 CYS CA C 13 52.169 0.400 . 1 . . . . A 44 CYS CA . 30556 1 423 . 1 . 1 46 46 CYS CB C 13 45.634 0.400 . 1 . . . . A 44 CYS CB . 30556 1 424 . 1 . 1 46 46 CYS N N 15 116.693 0.400 . 1 . . . . A 44 CYS N . 30556 1 425 . 1 . 1 47 47 PRO HA H 1 4.448 0.020 . 1 . . . . A 45 PRO HA . 30556 1 426 . 1 . 1 47 47 PRO HB2 H 1 2.402 0.020 . 2 . . . . A 45 PRO HB2 . 30556 1 427 . 1 . 1 47 47 PRO HB3 H 1 1.632 0.020 . 2 . . . . A 45 PRO HB3 . 30556 1 428 . 1 . 1 47 47 PRO HG2 H 1 1.629 0.020 . 2 . . . . A 45 PRO HG2 . 30556 1 429 . 1 . 1 47 47 PRO HG3 H 1 1.629 0.020 . 2 . . . . A 45 PRO HG3 . 30556 1 430 . 1 . 1 47 47 PRO HD2 H 1 3.432 0.020 . 2 . . . . A 45 PRO HD2 . 30556 1 431 . 1 . 1 47 47 PRO HD3 H 1 3.579 0.020 . 2 . . . . A 45 PRO HD3 . 30556 1 432 . 1 . 1 47 47 PRO CA C 13 62.324 0.400 . 1 . . . . A 45 PRO CA . 30556 1 433 . 1 . 1 47 47 PRO CB C 13 32.805 0.400 . 1 . . . . A 45 PRO CB . 30556 1 434 . 1 . 1 47 47 PRO CG C 13 27.451 0.400 . 1 . . . . A 45 PRO CG . 30556 1 435 . 1 . 1 47 47 PRO CD C 13 50.359 0.400 . 1 . . . . A 45 PRO CD . 30556 1 436 . 1 . 1 48 48 GLN H H 1 9.092 0.020 . 1 . . . . A 46 GLN H . 30556 1 437 . 1 . 1 48 48 GLN HA H 1 3.908 0.020 . 1 . . . . A 46 GLN HA . 30556 1 438 . 1 . 1 48 48 GLN HB2 H 1 2.153 0.020 . 2 . . . . A 46 GLN HB2 . 30556 1 439 . 1 . 1 48 48 GLN HB3 H 1 2.153 0.020 . 2 . . . . A 46 GLN HB3 . 30556 1 440 . 1 . 1 48 48 GLN HG2 H 1 2.452 0.020 . 2 . . . . A 46 GLN HG2 . 30556 1 441 . 1 . 1 48 48 GLN HG3 H 1 2.452 0.020 . 2 . . . . A 46 GLN HG3 . 30556 1 442 . 1 . 1 48 48 GLN HE21 H 1 6.924 0.020 . 2 . . . . A 46 GLN HE21 . 30556 1 443 . 1 . 1 48 48 GLN HE22 H 1 7.589 0.020 . 2 . . . . A 46 GLN HE22 . 30556 1 444 . 1 . 1 48 48 GLN C C 13 178.365 0.400 . 1 . . . . A 46 GLN C . 30556 1 445 . 1 . 1 48 48 GLN CA C 13 59.896 0.400 . 1 . . . . A 46 GLN CA . 30556 1 446 . 1 . 1 48 48 GLN CB C 13 28.404 0.400 . 1 . . . . A 46 GLN CB . 30556 1 447 . 1 . 1 48 48 GLN CG C 13 33.934 0.400 . 1 . . . . A 46 GLN CG . 30556 1 448 . 1 . 1 48 48 GLN N N 15 125.003 0.400 . 1 . . . . A 46 GLN N . 30556 1 449 . 1 . 1 48 48 GLN NE2 N 15 112.576 0.400 . 1 . . . . A 46 GLN NE2 . 30556 1 450 . 1 . 1 49 49 GLN H H 1 9.424 0.020 . 1 . . . . A 47 GLN H . 30556 1 451 . 1 . 1 49 49 GLN HA H 1 4.120 0.020 . 1 . . . . A 47 GLN HA . 30556 1 452 . 1 . 1 49 49 GLN HB2 H 1 2.093 0.020 . 2 . . . . A 47 GLN HB2 . 30556 1 453 . 1 . 1 49 49 GLN HB3 H 1 2.093 0.020 . 2 . . . . A 47 GLN HB3 . 30556 1 454 . 1 . 1 49 49 GLN HG2 H 1 2.274 0.020 . 2 . . . . A 47 GLN HG2 . 30556 1 455 . 1 . 1 49 49 GLN HG3 H 1 2.274 0.020 . 2 . . . . A 47 GLN HG3 . 30556 1 456 . 1 . 1 49 49 GLN HE21 H 1 7.153 0.020 . 2 . . . . A 47 GLN HE21 . 30556 1 457 . 1 . 1 49 49 GLN HE22 H 1 6.572 0.020 . 2 . . . . A 47 GLN HE22 . 30556 1 458 . 1 . 1 49 49 GLN C C 13 177.696 0.400 . 1 . . . . A 47 GLN C . 30556 1 459 . 1 . 1 49 49 GLN CA C 13 59.062 0.400 . 1 . . . . A 47 GLN CA . 30556 1 460 . 1 . 1 49 49 GLN CB C 13 28.439 0.400 . 1 . . . . A 47 GLN CB . 30556 1 461 . 1 . 1 49 49 GLN CG C 13 37.001 0.400 . 1 . . . . A 47 GLN CG . 30556 1 462 . 1 . 1 49 49 GLN N N 15 116.647 0.400 . 1 . . . . A 47 GLN N . 30556 1 463 . 1 . 1 49 49 GLN NE2 N 15 112.108 0.400 . 1 . . . . A 47 GLN NE2 . 30556 1 464 . 1 . 1 50 50 TRP H H 1 8.133 0.020 . 1 . . . . A 48 TRP H . 30556 1 465 . 1 . 1 50 50 TRP HA H 1 4.332 0.020 . 1 . . . . A 48 TRP HA . 30556 1 466 . 1 . 1 50 50 TRP HB2 H 1 3.228 0.020 . 2 . . . . A 48 TRP HB2 . 30556 1 467 . 1 . 1 50 50 TRP HB3 H 1 3.228 0.020 . 2 . . . . A 48 TRP HB3 . 30556 1 468 . 1 . 1 50 50 TRP HD1 H 1 6.686 0.020 . 1 . . . . A 48 TRP HD1 . 30556 1 469 . 1 . 1 50 50 TRP HE1 H 1 11.087 0.020 . 1 . . . . A 48 TRP HE1 . 30556 1 470 . 1 . 1 50 50 TRP HZ2 H 1 7.877 0.020 . 1 . . . . A 48 TRP HZ2 . 30556 1 471 . 1 . 1 50 50 TRP C C 13 176.897 0.400 . 1 . . . . A 48 TRP C . 30556 1 472 . 1 . 1 50 50 TRP CA C 13 59.880 0.400 . 1 . . . . A 48 TRP CA . 30556 1 473 . 1 . 1 50 50 TRP CB C 13 28.588 0.400 . 1 . . . . A 48 TRP CB . 30556 1 474 . 1 . 1 50 50 TRP CD1 C 13 123.878 0.400 . 1 . . . . A 48 TRP CD1 . 30556 1 475 . 1 . 1 50 50 TRP CZ2 C 13 114.473 0.400 . 1 . . . . A 48 TRP CZ2 . 30556 1 476 . 1 . 1 50 50 TRP N N 15 119.356 0.400 . 1 . . . . A 48 TRP N . 30556 1 477 . 1 . 1 50 50 TRP NE1 N 15 128.277 0.400 . 1 . . . . A 48 TRP NE1 . 30556 1 478 . 1 . 1 51 51 ILE H H 1 7.734 0.020 . 1 . . . . A 49 ILE H . 30556 1 479 . 1 . 1 51 51 ILE HA H 1 3.616 0.020 . 1 . . . . A 49 ILE HA . 30556 1 480 . 1 . 1 51 51 ILE HB H 1 1.892 0.020 . 1 . . . . A 49 ILE HB . 30556 1 481 . 1 . 1 51 51 ILE HG12 H 1 0.358 0.020 . 2 . . . . A 49 ILE HG12 . 30556 1 482 . 1 . 1 51 51 ILE HG13 H 1 1.231 0.020 . 2 . . . . A 49 ILE HG13 . 30556 1 483 . 1 . 1 51 51 ILE HG21 H 1 0.696 0.020 . 1 . . . . A 49 ILE HG21 . 30556 1 484 . 1 . 1 51 51 ILE HG22 H 1 0.696 0.020 . 1 . . . . A 49 ILE HG22 . 30556 1 485 . 1 . 1 51 51 ILE HG23 H 1 0.696 0.020 . 1 . . . . A 49 ILE HG23 . 30556 1 486 . 1 . 1 51 51 ILE HD11 H 1 0.377 0.020 . 1 . . . . A 49 ILE HD11 . 30556 1 487 . 1 . 1 51 51 ILE HD12 H 1 0.377 0.020 . 1 . . . . A 49 ILE HD12 . 30556 1 488 . 1 . 1 51 51 ILE HD13 H 1 0.377 0.020 . 1 . . . . A 49 ILE HD13 . 30556 1 489 . 1 . 1 51 51 ILE C C 13 177.168 0.400 . 1 . . . . A 49 ILE C . 30556 1 490 . 1 . 1 51 51 ILE CA C 13 65.419 0.400 . 1 . . . . A 49 ILE CA . 30556 1 491 . 1 . 1 51 51 ILE CB C 13 37.457 0.400 . 1 . . . . A 49 ILE CB . 30556 1 492 . 1 . 1 51 51 ILE CG1 C 13 28.031 0.400 . 1 . . . . A 49 ILE CG1 . 30556 1 493 . 1 . 1 51 51 ILE CG2 C 13 17.217 0.400 . 1 . . . . A 49 ILE CG2 . 30556 1 494 . 1 . 1 51 51 ILE CD1 C 13 13.575 0.400 . 1 . . . . A 49 ILE CD1 . 30556 1 495 . 1 . 1 51 51 ILE N N 15 120.020 0.400 . 1 . . . . A 49 ILE N . 30556 1 496 . 1 . 1 52 52 LYS H H 1 7.564 0.020 . 1 . . . . A 50 LYS H . 30556 1 497 . 1 . 1 52 52 LYS HA H 1 4.136 0.020 . 1 . . . . A 50 LYS HA . 30556 1 498 . 1 . 1 52 52 LYS HB2 H 1 1.850 0.020 . 2 . . . . A 50 LYS HB2 . 30556 1 499 . 1 . 1 52 52 LYS HB3 H 1 1.774 0.020 . 2 . . . . A 50 LYS HB3 . 30556 1 500 . 1 . 1 52 52 LYS HG2 H 1 1.436 0.020 . 2 . . . . A 50 LYS HG2 . 30556 1 501 . 1 . 1 52 52 LYS HG3 H 1 1.436 0.020 . 2 . . . . A 50 LYS HG3 . 30556 1 502 . 1 . 1 52 52 LYS HD2 H 1 1.730 0.020 . 2 . . . . A 50 LYS HD2 . 30556 1 503 . 1 . 1 52 52 LYS HD3 H 1 1.730 0.020 . 2 . . . . A 50 LYS HD3 . 30556 1 504 . 1 . 1 52 52 LYS HE2 H 1 2.997 0.020 . 2 . . . . A 50 LYS HE2 . 30556 1 505 . 1 . 1 52 52 LYS HE3 H 1 2.997 0.020 . 2 . . . . A 50 LYS HE3 . 30556 1 506 . 1 . 1 52 52 LYS C C 13 178.594 0.400 . 1 . . . . A 50 LYS C . 30556 1 507 . 1 . 1 52 52 LYS CA C 13 59.302 0.400 . 1 . . . . A 50 LYS CA . 30556 1 508 . 1 . 1 52 52 LYS CB C 13 32.463 0.400 . 1 . . . . A 50 LYS CB . 30556 1 509 . 1 . 1 52 52 LYS CG C 13 25.084 0.400 . 1 . . . . A 50 LYS CG . 30556 1 510 . 1 . 1 52 52 LYS CD C 13 29.407 0.400 . 1 . . . . A 50 LYS CD . 30556 1 511 . 1 . 1 52 52 LYS CE C 13 42.227 0.400 . 1 . . . . A 50 LYS CE . 30556 1 512 . 1 . 1 52 52 LYS N N 15 115.853 0.400 . 1 . . . . A 50 LYS N . 30556 1 513 . 1 . 1 53 53 TYR H H 1 7.425 0.020 . 1 . . . . A 51 TYR H . 30556 1 514 . 1 . 1 53 53 TYR HA H 1 4.085 0.020 . 1 . . . . A 51 TYR HA . 30556 1 515 . 1 . 1 53 53 TYR HB2 H 1 2.833 0.020 . 2 . . . . A 51 TYR HB2 . 30556 1 516 . 1 . 1 53 53 TYR HB3 H 1 2.633 0.020 . 2 . . . . A 51 TYR HB3 . 30556 1 517 . 1 . 1 53 53 TYR HD1 H 1 6.877 0.020 . 1 . . . . A 51 TYR HD1 . 30556 1 518 . 1 . 1 53 53 TYR HD2 H 1 6.877 0.020 . 1 . . . . A 51 TYR HD2 . 30556 1 519 . 1 . 1 53 53 TYR HE1 H 1 7.075 0.020 . 1 . . . . A 51 TYR HE1 . 30556 1 520 . 1 . 1 53 53 TYR HE2 H 1 7.075 0.020 . 1 . . . . A 51 TYR HE2 . 30556 1 521 . 1 . 1 53 53 TYR C C 13 177.091 0.400 . 1 . . . . A 51 TYR C . 30556 1 522 . 1 . 1 53 53 TYR CA C 13 61.519 0.400 . 1 . . . . A 51 TYR CA . 30556 1 523 . 1 . 1 53 53 TYR CB C 13 38.150 0.400 . 1 . . . . A 51 TYR CB . 30556 1 524 . 1 . 1 53 53 TYR CD1 C 13 131.164 0.400 . 1 . . . . A 51 TYR CD1 . 30556 1 525 . 1 . 1 53 53 TYR CE1 C 13 118.717 0.400 . 1 . . . . A 51 TYR CE1 . 30556 1 526 . 1 . 1 53 53 TYR N N 15 118.186 0.400 . 1 . . . . A 51 TYR N . 30556 1 527 . 1 . 1 54 54 PHE H H 1 9.002 0.020 . 1 . . . . A 52 PHE H . 30556 1 528 . 1 . 1 54 54 PHE HA H 1 4.610 0.020 . 1 . . . . A 52 PHE HA . 30556 1 529 . 1 . 1 54 54 PHE HB2 H 1 3.553 0.020 . 2 . . . . A 52 PHE HB2 . 30556 1 530 . 1 . 1 54 54 PHE HB3 H 1 3.553 0.020 . 2 . . . . A 52 PHE HB3 . 30556 1 531 . 1 . 1 54 54 PHE HD1 H 1 7.236 0.020 . 1 . . . . A 52 PHE HD1 . 30556 1 532 . 1 . 1 54 54 PHE HD2 H 1 7.236 0.020 . 1 . . . . A 52 PHE HD2 . 30556 1 533 . 1 . 1 54 54 PHE C C 13 178.353 0.400 . 1 . . . . A 52 PHE C . 30556 1 534 . 1 . 1 54 54 PHE CA C 13 59.783 0.400 . 1 . . . . A 52 PHE CA . 30556 1 535 . 1 . 1 54 54 PHE CB C 13 37.995 0.400 . 1 . . . . A 52 PHE CB . 30556 1 536 . 1 . 1 54 54 PHE CD1 C 13 129.948 0.400 . 1 . . . . A 52 PHE CD1 . 30556 1 537 . 1 . 1 54 54 PHE N N 15 119.095 0.400 . 1 . . . . A 52 PHE N . 30556 1 538 . 1 . 1 55 55 ASP H H 1 9.328 0.020 . 1 . . . . A 53 ASP H . 30556 1 539 . 1 . 1 55 55 ASP HA H 1 4.867 0.020 . 1 . . . . A 53 ASP HA . 30556 1 540 . 1 . 1 55 55 ASP HB2 H 1 2.938 0.020 . 2 . . . . A 53 ASP HB2 . 30556 1 541 . 1 . 1 55 55 ASP HB3 H 1 2.791 0.020 . 2 . . . . A 53 ASP HB3 . 30556 1 542 . 1 . 1 55 55 ASP C C 13 179.680 0.400 . 1 . . . . A 53 ASP C . 30556 1 543 . 1 . 1 55 55 ASP CA C 13 57.680 0.400 . 1 . . . . A 53 ASP CA . 30556 1 544 . 1 . 1 55 55 ASP CB C 13 39.702 0.400 . 1 . . . . A 53 ASP CB . 30556 1 545 . 1 . 1 55 55 ASP N N 15 121.095 0.400 . 1 . . . . A 53 ASP N . 30556 1 546 . 1 . 1 56 56 LYS H H 1 7.857 0.020 . 1 . . . . A 54 LYS H . 30556 1 547 . 1 . 1 56 56 LYS C C 13 177.406 0.400 . 1 . . . . A 54 LYS C . 30556 1 548 . 1 . 1 56 56 LYS N N 15 120.463 0.400 . 1 . . . . A 54 LYS N . 30556 1 549 . 1 . 1 57 57 ARG H H 1 8.572 0.020 . 1 . . . . A 55 ARG H . 30556 1 550 . 1 . 1 57 57 ARG N N 15 119.410 0.400 . 1 . . . . A 55 ARG N . 30556 1 551 . 1 . 1 58 58 ARG HA H 1 4.393 0.020 . 1 . . . . A 56 ARG HA . 30556 1 552 . 1 . 1 58 58 ARG HB2 H 1 2.370 0.020 . 2 . . . . A 56 ARG HB2 . 30556 1 553 . 1 . 1 58 58 ARG HB3 H 1 1.887 0.020 . 2 . . . . A 56 ARG HB3 . 30556 1 554 . 1 . 1 58 58 ARG C C 13 176.772 0.400 . 1 . . . . A 56 ARG C . 30556 1 555 . 1 . 1 58 58 ARG CA C 13 55.664 0.400 . 1 . . . . A 56 ARG CA . 30556 1 556 . 1 . 1 58 58 ARG CB C 13 29.281 0.400 . 1 . . . . A 56 ARG CB . 30556 1 557 . 1 . 1 59 59 ASP H H 1 7.560 0.020 . 1 . . . . A 57 ASP H . 30556 1 558 . 1 . 1 59 59 ASP HA H 1 5.411 0.020 . 1 . . . . A 57 ASP HA . 30556 1 559 . 1 . 1 59 59 ASP HB2 H 1 3.652 0.020 . 2 . . . . A 57 ASP HB2 . 30556 1 560 . 1 . 1 59 59 ASP HB3 H 1 2.626 0.020 . 2 . . . . A 57 ASP HB3 . 30556 1 561 . 1 . 1 59 59 ASP C C 13 176.274 0.400 . 1 . . . . A 57 ASP C . 30556 1 562 . 1 . 1 59 59 ASP CA C 13 53.504 0.400 . 1 . . . . A 57 ASP CA . 30556 1 563 . 1 . 1 59 59 ASP CB C 13 42.524 0.400 . 1 . . . . A 57 ASP CB . 30556 1 564 . 1 . 1 59 59 ASP N N 15 115.377 0.400 . 1 . . . . A 57 ASP N . 30556 1 565 . 1 . 1 60 60 TYR H H 1 7.687 0.020 . 1 . . . . A 58 TYR H . 30556 1 566 . 1 . 1 60 60 TYR HA H 1 4.240 0.020 . 1 . . . . A 58 TYR HA . 30556 1 567 . 1 . 1 60 60 TYR HB2 H 1 3.511 0.020 . 2 . . . . A 58 TYR HB2 . 30556 1 568 . 1 . 1 60 60 TYR HB3 H 1 3.158 0.020 . 2 . . . . A 58 TYR HB3 . 30556 1 569 . 1 . 1 60 60 TYR HD1 H 1 6.868 0.020 . 1 . . . . A 58 TYR HD1 . 30556 1 570 . 1 . 1 60 60 TYR HD2 H 1 6.868 0.020 . 1 . . . . A 58 TYR HD2 . 30556 1 571 . 1 . 1 60 60 TYR HE1 H 1 6.669 0.020 . 1 . . . . A 58 TYR HE1 . 30556 1 572 . 1 . 1 60 60 TYR HE2 H 1 6.669 0.020 . 1 . . . . A 58 TYR HE2 . 30556 1 573 . 1 . 1 60 60 TYR C C 13 178.345 0.400 . 1 . . . . A 58 TYR C . 30556 1 574 . 1 . 1 60 60 TYR CA C 13 60.596 0.400 . 1 . . . . A 58 TYR CA . 30556 1 575 . 1 . 1 60 60 TYR CB C 13 40.775 0.400 . 1 . . . . A 58 TYR CB . 30556 1 576 . 1 . 1 60 60 TYR CD1 C 13 132.520 0.400 . 1 . . . . A 58 TYR CD1 . 30556 1 577 . 1 . 1 60 60 TYR CE1 C 13 118.363 0.400 . 1 . . . . A 58 TYR CE1 . 30556 1 578 . 1 . 1 60 60 TYR N N 15 122.078 0.400 . 1 . . . . A 58 TYR N . 30556 1 579 . 1 . 1 61 61 LEU H H 1 8.136 0.020 . 1 . . . . A 59 LEU H . 30556 1 580 . 1 . 1 61 61 LEU HA H 1 3.620 0.020 . 1 . . . . A 59 LEU HA . 30556 1 581 . 1 . 1 61 61 LEU HB2 H 1 1.844 0.020 . 2 . . . . A 59 LEU HB2 . 30556 1 582 . 1 . 1 61 61 LEU HB3 H 1 1.125 0.020 . 2 . . . . A 59 LEU HB3 . 30556 1 583 . 1 . 1 61 61 LEU HG H 1 1.102 0.020 . 1 . . . . A 59 LEU HG . 30556 1 584 . 1 . 1 61 61 LEU HD11 H 1 0.512 0.020 . 2 . . . . A 59 LEU HD11 . 30556 1 585 . 1 . 1 61 61 LEU HD12 H 1 0.512 0.020 . 2 . . . . A 59 LEU HD12 . 30556 1 586 . 1 . 1 61 61 LEU HD13 H 1 0.512 0.020 . 2 . . . . A 59 LEU HD13 . 30556 1 587 . 1 . 1 61 61 LEU HD21 H 1 0.577 0.020 . 2 . . . . A 59 LEU HD21 . 30556 1 588 . 1 . 1 61 61 LEU HD22 H 1 0.577 0.020 . 2 . . . . A 59 LEU HD22 . 30556 1 589 . 1 . 1 61 61 LEU HD23 H 1 0.577 0.020 . 2 . . . . A 59 LEU HD23 . 30556 1 590 . 1 . 1 61 61 LEU C C 13 179.997 0.400 . 1 . . . . A 59 LEU C . 30556 1 591 . 1 . 1 61 61 LEU CA C 13 58.124 0.400 . 1 . . . . A 59 LEU CA . 30556 1 592 . 1 . 1 61 61 LEU CB C 13 41.541 0.400 . 1 . . . . A 59 LEU CB . 30556 1 593 . 1 . 1 61 61 LEU CG C 13 25.439 0.400 . 1 . . . . A 59 LEU CG . 30556 1 594 . 1 . 1 61 61 LEU CD1 C 13 21.083 0.400 . 1 . . . . A 59 LEU CD1 . 30556 1 595 . 1 . 1 61 61 LEU CD2 C 13 26.109 0.400 . 1 . . . . A 59 LEU CD2 . 30556 1 596 . 1 . 1 61 61 LEU N N 15 122.915 0.400 . 1 . . . . A 59 LEU N . 30556 1 597 . 1 . 1 62 62 LYS H H 1 8.433 0.020 . 1 . . . . A 60 LYS H . 30556 1 598 . 1 . 1 62 62 LYS HA H 1 4.171 0.020 . 1 . . . . A 60 LYS HA . 30556 1 599 . 1 . 1 62 62 LYS HB2 H 1 1.883 0.020 . 2 . . . . A 60 LYS HB2 . 30556 1 600 . 1 . 1 62 62 LYS HB3 H 1 1.883 0.020 . 2 . . . . A 60 LYS HB3 . 30556 1 601 . 1 . 1 62 62 LYS HG2 H 1 1.549 0.020 . 2 . . . . A 60 LYS HG2 . 30556 1 602 . 1 . 1 62 62 LYS HG3 H 1 1.549 0.020 . 2 . . . . A 60 LYS HG3 . 30556 1 603 . 1 . 1 62 62 LYS HD2 H 1 1.689 0.020 . 2 . . . . A 60 LYS HD2 . 30556 1 604 . 1 . 1 62 62 LYS HD3 H 1 1.689 0.020 . 2 . . . . A 60 LYS HD3 . 30556 1 605 . 1 . 1 62 62 LYS HE2 H 1 2.967 0.020 . 2 . . . . A 60 LYS HE2 . 30556 1 606 . 1 . 1 62 62 LYS HE3 H 1 2.967 0.020 . 2 . . . . A 60 LYS HE3 . 30556 1 607 . 1 . 1 62 62 LYS C C 13 178.875 0.400 . 1 . . . . A 60 LYS C . 30556 1 608 . 1 . 1 62 62 LYS CA C 13 57.295 0.400 . 1 . . . . A 60 LYS CA . 30556 1 609 . 1 . 1 62 62 LYS CB C 13 32.033 0.400 . 1 . . . . A 60 LYS CB . 30556 1 610 . 1 . 1 62 62 LYS CG C 13 25.395 0.400 . 1 . . . . A 60 LYS CG . 30556 1 611 . 1 . 1 62 62 LYS CD C 13 29.167 0.400 . 1 . . . . A 60 LYS CD . 30556 1 612 . 1 . 1 62 62 LYS CE C 13 42.131 0.400 . 1 . . . . A 60 LYS CE . 30556 1 613 . 1 . 1 62 62 LYS N N 15 119.809 0.400 . 1 . . . . A 60 LYS N . 30556 1 614 . 1 . 1 63 63 PHE H H 1 7.944 0.020 . 1 . . . . A 61 PHE H . 30556 1 615 . 1 . 1 63 63 PHE HA H 1 4.321 0.020 . 1 . . . . A 61 PHE HA . 30556 1 616 . 1 . 1 63 63 PHE HB2 H 1 3.151 0.020 . 2 . . . . A 61 PHE HB2 . 30556 1 617 . 1 . 1 63 63 PHE HB3 H 1 3.151 0.020 . 2 . . . . A 61 PHE HB3 . 30556 1 618 . 1 . 1 63 63 PHE HD1 H 1 7.417 0.020 . 1 . . . . A 61 PHE HD1 . 30556 1 619 . 1 . 1 63 63 PHE HD2 H 1 7.417 0.020 . 1 . . . . A 61 PHE HD2 . 30556 1 620 . 1 . 1 63 63 PHE CA C 13 61.087 0.400 . 1 . . . . A 61 PHE CA . 30556 1 621 . 1 . 1 63 63 PHE CB C 13 39.083 0.400 . 1 . . . . A 61 PHE CB . 30556 1 622 . 1 . 1 63 63 PHE CD1 C 13 131.441 0.400 . 1 . . . . A 61 PHE CD1 . 30556 1 623 . 1 . 1 63 63 PHE N N 15 120.823 0.400 . 1 . . . . A 61 PHE N . 30556 1 624 . 1 . 1 64 64 LYS HA H 1 4.401 0.020 . 1 . . . . A 62 LYS HA . 30556 1 625 . 1 . 1 64 64 LYS HB2 H 1 1.688 0.020 . 2 . . . . A 62 LYS HB2 . 30556 1 626 . 1 . 1 64 64 LYS HB3 H 1 1.688 0.020 . 2 . . . . A 62 LYS HB3 . 30556 1 627 . 1 . 1 64 64 LYS HG2 H 1 1.389 0.020 . 2 . . . . A 62 LYS HG2 . 30556 1 628 . 1 . 1 64 64 LYS HG3 H 1 1.389 0.020 . 2 . . . . A 62 LYS HG3 . 30556 1 629 . 1 . 1 64 64 LYS HD2 H 1 1.542 0.020 . 2 . . . . A 62 LYS HD2 . 30556 1 630 . 1 . 1 64 64 LYS HD3 H 1 1.542 0.020 . 2 . . . . A 62 LYS HD3 . 30556 1 631 . 1 . 1 64 64 LYS HE2 H 1 2.825 0.020 . 2 . . . . A 62 LYS HE2 . 30556 1 632 . 1 . 1 64 64 LYS HE3 H 1 2.825 0.020 . 2 . . . . A 62 LYS HE3 . 30556 1 633 . 1 . 1 64 64 LYS C C 13 177.021 0.400 . 1 . . . . A 62 LYS C . 30556 1 634 . 1 . 1 64 64 LYS CA C 13 63.002 0.400 . 1 . . . . A 62 LYS CA . 30556 1 635 . 1 . 1 64 64 LYS CB C 13 32.026 0.400 . 1 . . . . A 62 LYS CB . 30556 1 636 . 1 . 1 64 64 LYS CG C 13 25.067 0.400 . 1 . . . . A 62 LYS CG . 30556 1 637 . 1 . 1 64 64 LYS CD C 13 29.009 0.400 . 1 . . . . A 62 LYS CD . 30556 1 638 . 1 . 1 64 64 LYS CE C 13 42.074 0.400 . 1 . . . . A 62 LYS CE . 30556 1 639 . 1 . 1 65 65 GLU H H 1 8.655 0.020 . 1 . . . . A 63 GLU H . 30556 1 640 . 1 . 1 65 65 GLU C C 13 177.934 0.400 . 1 . . . . A 63 GLU C . 30556 1 641 . 1 . 1 65 65 GLU N N 15 118.011 0.400 . 1 . . . . A 63 GLU N . 30556 1 642 . 1 . 1 66 66 LYS H H 1 8.303 0.020 . 1 . . . . A 64 LYS H . 30556 1 643 . 1 . 1 66 66 LYS HA H 1 3.515 0.020 . 1 . . . . A 64 LYS HA . 30556 1 644 . 1 . 1 66 66 LYS HB2 H 1 1.485 0.020 . 2 . . . . A 64 LYS HB2 . 30556 1 645 . 1 . 1 66 66 LYS HB3 H 1 1.485 0.020 . 2 . . . . A 64 LYS HB3 . 30556 1 646 . 1 . 1 66 66 LYS C C 13 177.542 0.400 . 1 . . . . A 64 LYS C . 30556 1 647 . 1 . 1 66 66 LYS CA C 13 59.048 0.400 . 1 . . . . A 64 LYS CA . 30556 1 648 . 1 . 1 66 66 LYS CB C 13 29.022 0.400 . 1 . . . . A 64 LYS CB . 30556 1 649 . 1 . 1 66 66 LYS N N 15 119.848 0.400 . 1 . . . . A 64 LYS N . 30556 1 650 . 1 . 1 67 67 PHE H H 1 7.595 0.020 . 1 . . . . A 65 PHE H . 30556 1 651 . 1 . 1 67 67 PHE HA H 1 4.489 0.020 . 1 . . . . A 65 PHE HA . 30556 1 652 . 1 . 1 67 67 PHE HB2 H 1 3.031 0.020 . 2 . . . . A 65 PHE HB2 . 30556 1 653 . 1 . 1 67 67 PHE HB3 H 1 3.031 0.020 . 2 . . . . A 65 PHE HB3 . 30556 1 654 . 1 . 1 67 67 PHE HD1 H 1 7.278 0.020 . 1 . . . . A 65 PHE HD1 . 30556 1 655 . 1 . 1 67 67 PHE HD2 H 1 7.278 0.020 . 1 . . . . A 65 PHE HD2 . 30556 1 656 . 1 . 1 67 67 PHE C C 13 175.170 0.400 . 1 . . . . A 65 PHE C . 30556 1 657 . 1 . 1 67 67 PHE CA C 13 57.218 0.400 . 1 . . . . A 65 PHE CA . 30556 1 658 . 1 . 1 67 67 PHE CB C 13 39.506 0.400 . 1 . . . . A 65 PHE CB . 30556 1 659 . 1 . 1 67 67 PHE CD2 C 13 131.597 0.400 . 1 . . . . A 65 PHE CD2 . 30556 1 660 . 1 . 1 67 67 PHE N N 15 116.841 0.400 . 1 . . . . A 65 PHE N . 30556 1 661 . 1 . 1 68 68 GLU H H 1 7.993 0.020 . 1 . . . . A 66 GLU H . 30556 1 662 . 1 . 1 68 68 GLU HA H 1 4.605 0.020 . 1 . . . . A 66 GLU HA . 30556 1 663 . 1 . 1 68 68 GLU C C 13 176.953 0.400 . 1 . . . . A 66 GLU C . 30556 1 664 . 1 . 1 68 68 GLU CA C 13 57.377 0.400 . 1 . . . . A 66 GLU CA . 30556 1 665 . 1 . 1 68 68 GLU N N 15 122.282 0.400 . 1 . . . . A 66 GLU N . 30556 1 666 . 1 . 1 69 69 ALA H H 1 7.877 0.020 . 1 . . . . A 67 ALA H . 30556 1 667 . 1 . 1 69 69 ALA HA H 1 4.138 0.020 . 1 . . . . A 67 ALA HA . 30556 1 668 . 1 . 1 69 69 ALA HB1 H 1 1.343 0.020 . 1 . . . . A 67 ALA HB1 . 30556 1 669 . 1 . 1 69 69 ALA HB2 H 1 1.343 0.020 . 1 . . . . A 67 ALA HB2 . 30556 1 670 . 1 . 1 69 69 ALA HB3 H 1 1.343 0.020 . 1 . . . . A 67 ALA HB3 . 30556 1 671 . 1 . 1 69 69 ALA C C 13 178.632 0.400 . 1 . . . . A 67 ALA C . 30556 1 672 . 1 . 1 69 69 ALA CA C 13 53.819 0.400 . 1 . . . . A 67 ALA CA . 30556 1 673 . 1 . 1 69 69 ALA CB C 13 18.835 0.400 . 1 . . . . A 67 ALA CB . 30556 1 674 . 1 . 1 69 69 ALA N N 15 122.709 0.400 . 1 . . . . A 67 ALA N . 30556 1 675 . 1 . 1 70 70 GLY H H 1 8.056 0.020 . 1 . . . . A 68 GLY H . 30556 1 676 . 1 . 1 70 70 GLY HA2 H 1 3.874 0.020 . 2 . . . . A 68 GLY HA2 . 30556 1 677 . 1 . 1 70 70 GLY HA3 H 1 3.874 0.020 . 2 . . . . A 68 GLY HA3 . 30556 1 678 . 1 . 1 70 70 GLY C C 13 174.648 0.400 . 1 . . . . A 68 GLY C . 30556 1 679 . 1 . 1 70 70 GLY CA C 13 45.739 0.400 . 1 . . . . A 68 GLY CA . 30556 1 680 . 1 . 1 70 70 GLY N N 15 106.899 0.400 . 1 . . . . A 68 GLY N . 30556 1 681 . 1 . 1 71 71 GLN H H 1 7.769 0.020 . 1 . . . . A 69 GLN H . 30556 1 682 . 1 . 1 71 71 GLN HA H 1 4.169 0.020 . 1 . . . . A 69 GLN HA . 30556 1 683 . 1 . 1 71 71 GLN HB2 H 1 1.852 0.020 . 2 . . . . A 69 GLN HB2 . 30556 1 684 . 1 . 1 71 71 GLN HB3 H 1 1.852 0.020 . 2 . . . . A 69 GLN HB3 . 30556 1 685 . 1 . 1 71 71 GLN HG2 H 1 2.307 0.020 . 2 . . . . A 69 GLN HG2 . 30556 1 686 . 1 . 1 71 71 GLN HG3 H 1 2.307 0.020 . 2 . . . . A 69 GLN HG3 . 30556 1 687 . 1 . 1 71 71 GLN HE21 H 1 7.450 0.020 . 2 . . . . A 69 GLN HE21 . 30556 1 688 . 1 . 1 71 71 GLN HE22 H 1 6.804 0.020 . 2 . . . . A 69 GLN HE22 . 30556 1 689 . 1 . 1 71 71 GLN C C 13 175.545 0.400 . 1 . . . . A 69 GLN C . 30556 1 690 . 1 . 1 71 71 GLN CA C 13 56.101 0.400 . 1 . . . . A 69 GLN CA . 30556 1 691 . 1 . 1 71 71 GLN CB C 13 29.138 0.400 . 1 . . . . A 69 GLN CB . 30556 1 692 . 1 . 1 71 71 GLN CG C 13 33.394 0.400 . 1 . . . . A 69 GLN CG . 30556 1 693 . 1 . 1 71 71 GLN N N 15 118.491 0.400 . 1 . . . . A 69 GLN N . 30556 1 694 . 1 . 1 71 71 GLN NE2 N 15 113.600 0.400 . 1 . . . . A 69 GLN NE2 . 30556 1 695 . 1 . 1 72 72 PHE H H 1 7.982 0.020 . 1 . . . . A 70 PHE H . 30556 1 696 . 1 . 1 72 72 PHE HA H 1 4.353 0.020 . 1 . . . . A 70 PHE HA . 30556 1 697 . 1 . 1 72 72 PHE HB2 H 1 2.803 0.020 . 2 . . . . A 70 PHE HB2 . 30556 1 698 . 1 . 1 72 72 PHE HB3 H 1 2.642 0.020 . 2 . . . . A 70 PHE HB3 . 30556 1 699 . 1 . 1 72 72 PHE HD1 H 1 7.245 0.020 . 1 . . . . A 70 PHE HD1 . 30556 1 700 . 1 . 1 72 72 PHE HD2 H 1 7.245 0.020 . 1 . . . . A 70 PHE HD2 . 30556 1 701 . 1 . 1 72 72 PHE C C 13 178.486 0.400 . 1 . . . . A 70 PHE C . 30556 1 702 . 1 . 1 72 72 PHE CA C 13 57.245 0.400 . 1 . . . . A 70 PHE CA . 30556 1 703 . 1 . 1 72 72 PHE CB C 13 41.138 0.400 . 1 . . . . A 70 PHE CB . 30556 1 704 . 1 . 1 72 72 PHE CD1 C 13 132.116 0.400 . 1 . . . . A 70 PHE CD1 . 30556 1 705 . 1 . 1 72 72 PHE N N 15 119.117 0.400 . 1 . . . . A 70 PHE N . 30556 1 706 . 1 . 1 73 73 GLU H H 1 7.919 0.020 . 1 . . . . A 71 GLU H . 30556 1 707 . 1 . 1 73 73 GLU N N 15 119.025 0.400 . 1 . . . . A 71 GLU N . 30556 1 708 . 1 . 1 74 74 PRO HA H 1 4.253 0.020 . 1 . . . . A 72 PRO HA . 30556 1 709 . 1 . 1 74 74 PRO HB2 H 1 2.085 0.020 . 2 . . . . A 72 PRO HB2 . 30556 1 710 . 1 . 1 74 74 PRO HB3 H 1 1.851 0.020 . 2 . . . . A 72 PRO HB3 . 30556 1 711 . 1 . 1 74 74 PRO HG2 H 1 2.027 0.020 . 2 . . . . A 72 PRO HG2 . 30556 1 712 . 1 . 1 74 74 PRO HG3 H 1 2.027 0.020 . 2 . . . . A 72 PRO HG3 . 30556 1 713 . 1 . 1 74 74 PRO HD2 H 1 3.659 0.020 . 2 . . . . A 72 PRO HD2 . 30556 1 714 . 1 . 1 74 74 PRO HD3 H 1 3.718 0.020 . 2 . . . . A 72 PRO HD3 . 30556 1 715 . 1 . 1 74 74 PRO C C 13 176.989 0.400 . 1 . . . . A 72 PRO C . 30556 1 716 . 1 . 1 74 74 PRO CA C 13 63.259 0.400 . 1 . . . . A 72 PRO CA . 30556 1 717 . 1 . 1 74 74 PRO CB C 13 31.977 0.400 . 1 . . . . A 72 PRO CB . 30556 1 718 . 1 . 1 74 74 PRO CG C 13 27.386 0.400 . 1 . . . . A 72 PRO CG . 30556 1 719 . 1 . 1 74 74 PRO CD C 13 50.340 0.400 . 1 . . . . A 72 PRO CD . 30556 1 720 . 1 . 1 75 75 SER H H 1 8.355 0.020 . 1 . . . . A 73 SER H . 30556 1 721 . 1 . 1 75 75 SER HA H 1 4.424 0.020 . 1 . . . . A 73 SER HA . 30556 1 722 . 1 . 1 75 75 SER HB2 H 1 3.861 0.020 . 2 . . . . A 73 SER HB2 . 30556 1 723 . 1 . 1 75 75 SER HB3 H 1 3.861 0.020 . 2 . . . . A 73 SER HB3 . 30556 1 724 . 1 . 1 75 75 SER C C 13 174.741 0.400 . 1 . . . . A 73 SER C . 30556 1 725 . 1 . 1 75 75 SER CA C 13 58.394 0.400 . 1 . . . . A 73 SER CA . 30556 1 726 . 1 . 1 75 75 SER CB C 13 64.032 0.400 . 1 . . . . A 73 SER CB . 30556 1 727 . 1 . 1 75 75 SER N N 15 115.855 0.400 . 1 . . . . A 73 SER N . 30556 1 728 . 1 . 1 76 76 GLU H H 1 8.488 0.020 . 1 . . . . A 74 GLU H . 30556 1 729 . 1 . 1 76 76 GLU HA H 1 4.383 0.020 . 1 . . . . A 74 GLU HA . 30556 1 730 . 1 . 1 76 76 GLU HB2 H 1 2.112 0.020 . 2 . . . . A 74 GLU HB2 . 30556 1 731 . 1 . 1 76 76 GLU HB3 H 1 1.976 0.020 . 2 . . . . A 74 GLU HB3 . 30556 1 732 . 1 . 1 76 76 GLU HG2 H 1 2.255 0.020 . 2 . . . . A 74 GLU HG2 . 30556 1 733 . 1 . 1 76 76 GLU HG3 H 1 2.255 0.020 . 2 . . . . A 74 GLU HG3 . 30556 1 734 . 1 . 1 76 76 GLU C C 13 176.746 0.400 . 1 . . . . A 74 GLU C . 30556 1 735 . 1 . 1 76 76 GLU CA C 13 56.666 0.400 . 1 . . . . A 74 GLU CA . 30556 1 736 . 1 . 1 76 76 GLU CB C 13 30.348 0.400 . 1 . . . . A 74 GLU CB . 30556 1 737 . 1 . 1 76 76 GLU CG C 13 36.249 0.400 . 1 . . . . A 74 GLU CG . 30556 1 738 . 1 . 1 76 76 GLU N N 15 122.655 0.400 . 1 . . . . A 74 GLU N . 30556 1 739 . 1 . 1 77 77 THR H H 1 8.224 0.020 . 1 . . . . A 75 THR H . 30556 1 740 . 1 . 1 77 77 THR HA H 1 4.422 0.020 . 1 . . . . A 75 THR HA . 30556 1 741 . 1 . 1 77 77 THR HB H 1 4.246 0.020 . 1 . . . . A 75 THR HB . 30556 1 742 . 1 . 1 77 77 THR HG21 H 1 1.199 0.020 . 1 . . . . A 75 THR HG21 . 30556 1 743 . 1 . 1 77 77 THR HG22 H 1 1.199 0.020 . 1 . . . . A 75 THR HG22 . 30556 1 744 . 1 . 1 77 77 THR HG23 H 1 1.199 0.020 . 1 . . . . A 75 THR HG23 . 30556 1 745 . 1 . 1 77 77 THR C C 13 174.784 0.400 . 1 . . . . A 75 THR C . 30556 1 746 . 1 . 1 77 77 THR CA C 13 61.820 0.400 . 1 . . . . A 75 THR CA . 30556 1 747 . 1 . 1 77 77 THR CB C 13 69.819 0.400 . 1 . . . . A 75 THR CB . 30556 1 748 . 1 . 1 77 77 THR CG2 C 13 21.602 0.400 . 1 . . . . A 75 THR CG2 . 30556 1 749 . 1 . 1 77 77 THR N N 15 114.900 0.400 . 1 . . . . A 75 THR N . 30556 1 750 . 1 . 1 78 78 THR H H 1 8.098 0.020 . 1 . . . . A 76 THR H . 30556 1 751 . 1 . 1 78 78 THR HA H 1 4.386 0.020 . 1 . . . . A 76 THR HA . 30556 1 752 . 1 . 1 78 78 THR HB H 1 4.224 0.020 . 1 . . . . A 76 THR HB . 30556 1 753 . 1 . 1 78 78 THR HG21 H 1 1.220 0.020 . 1 . . . . A 76 THR HG21 . 30556 1 754 . 1 . 1 78 78 THR HG22 H 1 1.220 0.020 . 1 . . . . A 76 THR HG22 . 30556 1 755 . 1 . 1 78 78 THR HG23 H 1 1.220 0.020 . 1 . . . . A 76 THR HG23 . 30556 1 756 . 1 . 1 78 78 THR C C 13 174.284 0.400 . 1 . . . . A 76 THR C . 30556 1 757 . 1 . 1 78 78 THR CA C 13 62.008 0.400 . 1 . . . . A 76 THR CA . 30556 1 758 . 1 . 1 78 78 THR CB C 13 69.812 0.400 . 1 . . . . A 76 THR CB . 30556 1 759 . 1 . 1 78 78 THR CG2 C 13 21.847 0.400 . 1 . . . . A 76 THR CG2 . 30556 1 760 . 1 . 1 78 78 THR N N 15 116.629 0.400 . 1 . . . . A 76 THR N . 30556 1 761 . 1 . 1 79 79 ALA H H 1 8.305 0.020 . 1 . . . . A 77 ALA H . 30556 1 762 . 1 . 1 79 79 ALA HA H 1 4.332 0.020 . 1 . . . . A 77 ALA HA . 30556 1 763 . 1 . 1 79 79 ALA HB1 H 1 1.394 0.020 . 1 . . . . A 77 ALA HB1 . 30556 1 764 . 1 . 1 79 79 ALA HB2 H 1 1.394 0.020 . 1 . . . . A 77 ALA HB2 . 30556 1 765 . 1 . 1 79 79 ALA HB3 H 1 1.394 0.020 . 1 . . . . A 77 ALA HB3 . 30556 1 766 . 1 . 1 79 79 ALA C C 13 177.524 0.400 . 1 . . . . A 77 ALA C . 30556 1 767 . 1 . 1 79 79 ALA CA C 13 52.537 0.400 . 1 . . . . A 77 ALA CA . 30556 1 768 . 1 . 1 79 79 ALA CB C 13 19.328 0.400 . 1 . . . . A 77 ALA CB . 30556 1 769 . 1 . 1 79 79 ALA N N 15 126.989 0.400 . 1 . . . . A 77 ALA N . 30556 1 770 . 1 . 1 80 80 LYS H H 1 8.317 0.020 . 1 . . . . A 78 LYS H . 30556 1 771 . 1 . 1 80 80 LYS HA H 1 4.359 0.020 . 1 . . . . A 78 LYS HA . 30556 1 772 . 1 . 1 80 80 LYS HB2 H 1 1.887 0.020 . 2 . . . . A 78 LYS HB2 . 30556 1 773 . 1 . 1 80 80 LYS HB3 H 1 1.756 0.020 . 2 . . . . A 78 LYS HB3 . 30556 1 774 . 1 . 1 80 80 LYS HG2 H 1 1.462 0.020 . 2 . . . . A 78 LYS HG2 . 30556 1 775 . 1 . 1 80 80 LYS HG3 H 1 1.462 0.020 . 2 . . . . A 78 LYS HG3 . 30556 1 776 . 1 . 1 80 80 LYS HD2 H 1 1.721 0.020 . 2 . . . . A 78 LYS HD2 . 30556 1 777 . 1 . 1 80 80 LYS HD3 H 1 1.721 0.020 . 2 . . . . A 78 LYS HD3 . 30556 1 778 . 1 . 1 80 80 LYS HE2 H 1 3.002 0.020 . 2 . . . . A 78 LYS HE2 . 30556 1 779 . 1 . 1 80 80 LYS HE3 H 1 3.002 0.020 . 2 . . . . A 78 LYS HE3 . 30556 1 780 . 1 . 1 80 80 LYS C C 13 175.886 0.400 . 1 . . . . A 78 LYS C . 30556 1 781 . 1 . 1 80 80 LYS CA C 13 56.206 0.400 . 1 . . . . A 78 LYS CA . 30556 1 782 . 1 . 1 80 80 LYS CB C 13 33.148 0.400 . 1 . . . . A 78 LYS CB . 30556 1 783 . 1 . 1 80 80 LYS CG C 13 24.764 0.400 . 1 . . . . A 78 LYS CG . 30556 1 784 . 1 . 1 80 80 LYS CD C 13 29.246 0.400 . 1 . . . . A 78 LYS CD . 30556 1 785 . 1 . 1 80 80 LYS CE C 13 42.340 0.400 . 1 . . . . A 78 LYS CE . 30556 1 786 . 1 . 1 80 80 LYS N N 15 121.535 0.400 . 1 . . . . A 78 LYS N . 30556 1 787 . 1 . 1 81 81 SER H H 1 7.967 0.020 . 1 . . . . A 79 SER H . 30556 1 788 . 1 . 1 81 81 SER HA H 1 4.433 0.020 . 1 . . . . A 79 SER HA . 30556 1 789 . 1 . 1 81 81 SER HB2 H 1 4.028 0.020 . 2 . . . . A 79 SER HB2 . 30556 1 790 . 1 . 1 81 81 SER HB3 H 1 4.028 0.020 . 2 . . . . A 79 SER HB3 . 30556 1 791 . 1 . 1 81 81 SER C C 13 178.682 0.400 . 1 . . . . A 79 SER C . 30556 1 792 . 1 . 1 81 81 SER CA C 13 60.014 0.400 . 1 . . . . A 79 SER CA . 30556 1 793 . 1 . 1 81 81 SER CB C 13 63.650 0.400 . 1 . . . . A 79 SER CB . 30556 1 794 . 1 . 1 81 81 SER N N 15 122.901 0.400 . 1 . . . . A 79 SER N . 30556 1 stop_ save_