################################### # 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 52557 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name sdAb-mrh-IgG _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 1H-15N HSQC' . . . 52557 1 3 '2D 1H-13C HSQC' . . . 52557 1 4 '3D CBCA(CO)NH' . . . 52557 1 5 '3D C(CO)NH' . . . 52557 1 6 '3D HNCO' . . . 52557 1 7 '3D HNCA' . . . 52557 1 8 '3D HNCACB' . . . 52557 1 9 '3D HBHA(CO)NH' . . . 52557 1 10 '3D HCCH-TOCSY' . . . 52557 1 11 '3D (H)CCH-TOCSY' . . . 52557 1 12 '3D 1H-15N TOCSY' . . . 52557 1 13 '3D 1H-15N NOESY' . . . 52557 1 14 '3D 1H-13C NOESY aliphatic' . . . 52557 1 15 '3D 1H-13C NOESY aromatic' . . . 52557 1 16 '3D HCCH-COSY' . . . 52557 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 $software_1 . . 52557 1 2 $software_2 . . 52557 1 3 $software_3 . . 52557 1 4 $software_4 . . 52557 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 1 1 GLN HA H 1 4.434 0.003 . 1 . . . . . 1 GLN HA . 52557 1 2 . 1 . 1 1 1 GLN HB2 H 1 2.539 0.003 . 2 . . . . . 1 GLN HB2 . 52557 1 3 . 1 . 1 1 1 GLN HB3 H 1 2.046 0.002 . 2 . . . . . 1 GLN HB3 . 52557 1 4 . 1 . 1 1 1 GLN HG2 H 1 2.423 0.007 . 1 . . . . . 1 GLN HG2 . 52557 1 5 . 1 . 1 1 1 GLN HG3 H 1 2.423 0.007 . 1 . . . . . 1 GLN HG3 . 52557 1 6 . 1 . 1 1 1 GLN CA C 13 59.133 0.044 . 1 . . . . . 1 GLN CA . 52557 1 7 . 1 . 1 1 1 GLN CB C 13 28.035 0.718 . 1 . . . . . 1 GLN CB . 52557 1 8 . 1 . 1 1 1 GLN CG C 13 32.023 0.000 . 1 . . . . . 1 GLN CG . 52557 1 9 . 1 . 1 2 2 VAL H H 1 8.406 0.008 . 1 . . . . . 2 VAL H . 52557 1 10 . 1 . 1 2 2 VAL HA H 1 4.299 0.009 . 1 . . . . . 2 VAL HA . 52557 1 11 . 1 . 1 2 2 VAL HB H 1 1.982 0.007 . 1 . . . . . 2 VAL HB . 52557 1 12 . 1 . 1 2 2 VAL HG11 H 1 0.774 0.010 . 2 . . . . . 2 VAL HG11 . 52557 1 13 . 1 . 1 2 2 VAL HG12 H 1 0.774 0.010 . 2 . . . . . 2 VAL HG12 . 52557 1 14 . 1 . 1 2 2 VAL HG13 H 1 0.774 0.010 . 2 . . . . . 2 VAL HG13 . 52557 1 15 . 1 . 1 2 2 VAL HG21 H 1 0.966 0.008 . 2 . . . . . 2 VAL HG21 . 52557 1 16 . 1 . 1 2 2 VAL HG22 H 1 0.966 0.008 . 2 . . . . . 2 VAL HG22 . 52557 1 17 . 1 . 1 2 2 VAL HG23 H 1 0.966 0.008 . 2 . . . . . 2 VAL HG23 . 52557 1 18 . 1 . 1 2 2 VAL C C 13 177.420 0.000 . 1 . . . . . 2 VAL C . 52557 1 19 . 1 . 1 2 2 VAL CA C 13 63.861 0.074 . 1 . . . . . 2 VAL CA . 52557 1 20 . 1 . 1 2 2 VAL CB C 13 31.914 0.027 . 1 . . . . . 2 VAL CB . 52557 1 21 . 1 . 1 2 2 VAL CG1 C 13 21.424 0.000 . 2 . . . . . 2 VAL CG1 . 52557 1 22 . 1 . 1 2 2 VAL CG2 C 13 22.315 0.000 . 2 . . . . . 2 VAL CG2 . 52557 1 23 . 1 . 1 2 2 VAL N N 15 122.060 0.025 . 1 . . . . . 2 VAL N . 52557 1 24 . 1 . 1 3 3 GLN H H 1 8.706 0.004 . 1 . . . . . 3 GLN H . 52557 1 25 . 1 . 1 3 3 GLN HA H 1 4.708 0.005 . 1 . . . . . 3 GLN HA . 52557 1 26 . 1 . 1 3 3 GLN HB2 H 1 1.988 0.002 . 2 . . . . . 3 GLN HB2 . 52557 1 27 . 1 . 1 3 3 GLN HB3 H 1 1.890 0.005 . 2 . . . . . 3 GLN HB3 . 52557 1 28 . 1 . 1 3 3 GLN HG2 H 1 2.187 0.001 . 2 . . . . . 3 GLN HG2 . 52557 1 29 . 1 . 1 3 3 GLN HG3 H 1 2.226 0.020 . 2 . . . . . 3 GLN HG3 . 52557 1 30 . 1 . 1 3 3 GLN HE21 H 1 7.370 0.011 . 1 . . . . . 3 GLN HE21 . 52557 1 31 . 1 . 1 3 3 GLN HE22 H 1 6.813 0.007 . 1 . . . . . 3 GLN HE22 . 52557 1 32 . 1 . 1 3 3 GLN C C 13 176.087 0.000 . 1 . . . . . 3 GLN C . 52557 1 33 . 1 . 1 3 3 GLN CA C 13 55.517 0.031 . 1 . . . . . 3 GLN CA . 52557 1 34 . 1 . 1 3 3 GLN CB C 13 32.259 0.067 . 1 . . . . . 3 GLN CB . 52557 1 35 . 1 . 1 3 3 GLN CG C 13 34.257 0.000 . 1 . . . . . 3 GLN CG . 52557 1 36 . 1 . 1 3 3 GLN N N 15 127.563 0.052 . 1 . . . . . 3 GLN N . 52557 1 37 . 1 . 1 3 3 GLN NE2 N 15 111.407 0.025 . 1 . . . . . 3 GLN NE2 . 52557 1 38 . 1 . 1 4 4 LEU H H 1 8.270 0.007 . 1 . . . . . 4 LEU H . 52557 1 39 . 1 . 1 4 4 LEU HA H 1 5.086 0.003 . 1 . . . . . 4 LEU HA . 52557 1 40 . 1 . 1 4 4 LEU HB2 H 1 1.501 0.009 . 2 . . . . . 4 LEU HB2 . 52557 1 41 . 1 . 1 4 4 LEU HB3 H 1 1.207 0.015 . 2 . . . . . 4 LEU HB3 . 52557 1 42 . 1 . 1 4 4 LEU HG H 1 0.650 0.003 . 1 . . . . . 4 LEU HG . 52557 1 43 . 1 . 1 4 4 LEU HD11 H 1 0.992 0.014 . 1 . . . . . 4 LEU HD11 . 52557 1 44 . 1 . 1 4 4 LEU HD12 H 1 0.992 0.014 . 1 . . . . . 4 LEU HD12 . 52557 1 45 . 1 . 1 4 4 LEU HD13 H 1 0.992 0.014 . 1 . . . . . 4 LEU HD13 . 52557 1 46 . 1 . 1 4 4 LEU HD21 H 1 0.654 0.000 . 1 . . . . . 4 LEU HD21 . 52557 1 47 . 1 . 1 4 4 LEU HD22 H 1 0.654 0.000 . 1 . . . . . 4 LEU HD22 . 52557 1 48 . 1 . 1 4 4 LEU HD23 H 1 0.654 0.000 . 1 . . . . . 4 LEU HD23 . 52557 1 49 . 1 . 1 4 4 LEU C C 13 173.679 0.000 . 1 . . . . . 4 LEU C . 52557 1 50 . 1 . 1 4 4 LEU CA C 13 53.613 0.013 . 1 . . . . . 4 LEU CA . 52557 1 51 . 1 . 1 4 4 LEU CB C 13 44.472 0.045 . 1 . . . . . 4 LEU CB . 52557 1 52 . 1 . 1 4 4 LEU CG C 13 26.649 0.000 . 1 . . . . . 4 LEU CG . 52557 1 53 . 1 . 1 4 4 LEU CD1 C 13 25.134 0.000 . 1 . . . . . 4 LEU CD1 . 52557 1 54 . 1 . 1 4 4 LEU CD2 C 13 25.134 0.000 . 1 . . . . . 4 LEU CD2 . 52557 1 55 . 1 . 1 4 4 LEU N N 15 125.678 0.023 . 1 . . . . . 4 LEU N . 52557 1 56 . 1 . 1 5 5 VAL H H 1 8.580 0.009 . 1 . . . . . 5 VAL H . 52557 1 57 . 1 . 1 5 5 VAL HA H 1 4.453 0.003 . 1 . . . . . 5 VAL HA . 52557 1 58 . 1 . 1 5 5 VAL HB H 1 2.096 0.005 . 1 . . . . . 5 VAL HB . 52557 1 59 . 1 . 1 5 5 VAL HG11 H 1 0.954 0.006 . 2 . . . . . 5 VAL HG11 . 52557 1 60 . 1 . 1 5 5 VAL HG12 H 1 0.954 0.006 . 2 . . . . . 5 VAL HG12 . 52557 1 61 . 1 . 1 5 5 VAL HG13 H 1 0.954 0.006 . 2 . . . . . 5 VAL HG13 . 52557 1 62 . 1 . 1 5 5 VAL HG21 H 1 0.825 0.001 . 2 . . . . . 5 VAL HG21 . 52557 1 63 . 1 . 1 5 5 VAL HG22 H 1 0.825 0.001 . 2 . . . . . 5 VAL HG22 . 52557 1 64 . 1 . 1 5 5 VAL HG23 H 1 0.825 0.001 . 2 . . . . . 5 VAL HG23 . 52557 1 65 . 1 . 1 5 5 VAL C C 13 175.517 0.000 . 1 . . . . . 5 VAL C . 52557 1 66 . 1 . 1 5 5 VAL CA C 13 62.112 0.055 . 1 . . . . . 5 VAL CA . 52557 1 67 . 1 . 1 5 5 VAL CB C 13 34.912 0.028 . 1 . . . . . 5 VAL CB . 52557 1 68 . 1 . 1 5 5 VAL CG1 C 13 20.890 0.000 . 1 . . . . . 5 VAL CG1 . 52557 1 69 . 1 . 1 5 5 VAL CG2 C 13 20.890 0.000 . 1 . . . . . 5 VAL CG2 . 52557 1 70 . 1 . 1 5 5 VAL N N 15 120.807 0.032 . 1 . . . . . 5 VAL N . 52557 1 71 . 1 . 1 6 6 GLU H H 1 10.077 0.005 . 1 . . . . . 6 GLU H . 52557 1 72 . 1 . 1 6 6 GLU HA H 1 5.639 0.002 . 1 . . . . . 6 GLU HA . 52557 1 73 . 1 . 1 6 6 GLU HB2 H 1 2.158 0.010 . 2 . . . . . 6 GLU HB2 . 52557 1 74 . 1 . 1 6 6 GLU HB3 H 1 2.059 0.010 . 2 . . . . . 6 GLU HB3 . 52557 1 75 . 1 . 1 6 6 GLU HG2 H 1 2.902 0.004 . 2 . . . . . 6 GLU HG2 . 52557 1 76 . 1 . 1 6 6 GLU HG3 H 1 2.435 0.008 . 2 . . . . . 6 GLU HG3 . 52557 1 77 . 1 . 1 6 6 GLU C C 13 176.320 0.000 . 1 . . . . . 6 GLU C . 52557 1 78 . 1 . 1 6 6 GLU CA C 13 57.252 0.009 . 1 . . . . . 6 GLU CA . 52557 1 79 . 1 . 1 6 6 GLU CB C 13 30.721 0.012 . 1 . . . . . 6 GLU CB . 52557 1 80 . 1 . 1 6 6 GLU CG C 13 37.509 0.082 . 1 . . . . . 6 GLU CG . 52557 1 81 . 1 . 1 6 6 GLU N N 15 132.081 0.035 . 1 . . . . . 6 GLU N . 52557 1 82 . 1 . 1 7 7 SER H H 1 9.484 0.005 . 1 . . . . . 7 SER H . 52557 1 83 . 1 . 1 7 7 SER HA H 1 4.743 0.002 . 1 . . . . . 7 SER HA . 52557 1 84 . 1 . 1 7 7 SER HB2 H 1 3.909 0.007 . 1 . . . . . 7 SER HB2 . 52557 1 85 . 1 . 1 7 7 SER HB3 H 1 3.909 0.007 . 1 . . . . . 7 SER HB3 . 52557 1 86 . 1 . 1 7 7 SER C C 13 176.884 0.000 . 1 . . . . . 7 SER C . 52557 1 87 . 1 . 1 7 7 SER CA C 13 58.143 0.002 . 1 . . . . . 7 SER CA . 52557 1 88 . 1 . 1 7 7 SER CB C 13 65.614 0.039 . 1 . . . . . 7 SER CB . 52557 1 89 . 1 . 1 7 7 SER N N 15 114.812 0.044 . 1 . . . . . 7 SER N . 52557 1 90 . 1 . 1 8 8 GLY H H 1 8.694 0.005 . 1 . . . . . 8 GLY H . 52557 1 91 . 1 . 1 8 8 GLY HA2 H 1 3.726 0.006 . 2 . . . . . 8 GLY HA2 . 52557 1 92 . 1 . 1 8 8 GLY HA3 H 1 4.689 0.004 . 2 . . . . . 8 GLY HA3 . 52557 1 93 . 1 . 1 8 8 GLY C C 13 173.419 0.000 . 1 . . . . . 8 GLY C . 52557 1 94 . 1 . 1 8 8 GLY CA C 13 45.066 0.019 . 1 . . . . . 8 GLY CA . 52557 1 95 . 1 . 1 8 8 GLY N N 15 107.357 0.008 . 1 . . . . . 8 GLY N . 52557 1 96 . 1 . 1 9 9 GLY H H 1 7.736 0.003 . 1 . . . . . 9 GLY H . 52557 1 97 . 1 . 1 9 9 GLY HA2 H 1 3.484 0.004 . 2 . . . . . 9 GLY HA2 . 52557 1 98 . 1 . 1 9 9 GLY HA3 H 1 3.925 0.005 . 2 . . . . . 9 GLY HA3 . 52557 1 99 . 1 . 1 9 9 GLY C C 13 174.437 0.000 . 1 . . . . . 9 GLY C . 52557 1 100 . 1 . 1 9 9 GLY CA C 13 45.501 0.055 . 1 . . . . . 9 GLY CA . 52557 1 101 . 1 . 1 9 9 GLY N N 15 106.539 0.031 . 1 . . . . . 9 GLY N . 52557 1 102 . 1 . 1 10 10 GLY H H 1 7.250 0.004 . 1 . . . . . 10 GLY H . 52557 1 103 . 1 . 1 10 10 GLY HA2 H 1 3.973 0.006 . 2 . . . . . 10 GLY HA2 . 52557 1 104 . 1 . 1 10 10 GLY HA3 H 1 4.059 0.007 . 2 . . . . . 10 GLY HA3 . 52557 1 105 . 1 . 1 10 10 GLY C C 13 172.954 0.000 . 1 . . . . . 10 GLY C . 52557 1 106 . 1 . 1 10 10 GLY CA C 13 45.076 0.025 . 1 . . . . . 10 GLY CA . 52557 1 107 . 1 . 1 10 10 GLY N N 15 107.205 0.038 . 1 . . . . . 10 GLY N . 52557 1 108 . 1 . 1 11 11 LEU H H 1 8.115 0.005 . 1 . . . . . 11 LEU H . 52557 1 109 . 1 . 1 11 11 LEU HA H 1 5.286 0.003 . 1 . . . . . 11 LEU HA . 52557 1 110 . 1 . 1 11 11 LEU HB2 H 1 1.544 0.007 . 2 . . . . . 11 LEU HB2 . 52557 1 111 . 1 . 1 11 11 LEU HB3 H 1 1.394 0.010 . 2 . . . . . 11 LEU HB3 . 52557 1 112 . 1 . 1 11 11 LEU HG H 1 1.350 0.008 . 1 . . . . . 11 LEU HG . 52557 1 113 . 1 . 1 11 11 LEU HD11 H 1 0.759 0.008 . 2 . . . . . 11 LEU HD11 . 52557 1 114 . 1 . 1 11 11 LEU HD12 H 1 0.759 0.008 . 2 . . . . . 11 LEU HD12 . 52557 1 115 . 1 . 1 11 11 LEU HD13 H 1 0.759 0.008 . 2 . . . . . 11 LEU HD13 . 52557 1 116 . 1 . 1 11 11 LEU HD21 H 1 0.710 0.011 . 2 . . . . . 11 LEU HD21 . 52557 1 117 . 1 . 1 11 11 LEU HD22 H 1 0.710 0.011 . 2 . . . . . 11 LEU HD22 . 52557 1 118 . 1 . 1 11 11 LEU HD23 H 1 0.710 0.011 . 2 . . . . . 11 LEU HD23 . 52557 1 119 . 1 . 1 11 11 LEU C C 13 170.322 0.000 . 1 . . . . . 11 LEU C . 52557 1 120 . 1 . 1 11 11 LEU CA C 13 54.148 0.013 . 1 . . . . . 11 LEU CA . 52557 1 121 . 1 . 1 11 11 LEU CB C 13 43.325 0.023 . 1 . . . . . 11 LEU CB . 52557 1 122 . 1 . 1 11 11 LEU CG C 13 27.694 0.000 . 1 . . . . . 11 LEU CG . 52557 1 123 . 1 . 1 11 11 LEU CD1 C 13 24.327 0.000 . 2 . . . . . 11 LEU CD1 . 52557 1 124 . 1 . 1 11 11 LEU CD2 C 13 25.275 0.000 . 2 . . . . . 11 LEU CD2 . 52557 1 125 . 1 . 1 11 11 LEU N N 15 122.789 0.013 . 1 . . . . . 11 LEU N . 52557 1 126 . 1 . 1 12 12 VAL H H 1 8.980 0.004 . 1 . . . . . 12 VAL H . 52557 1 127 . 1 . 1 12 12 VAL HA H 1 4.530 0.003 . 1 . . . . . 12 VAL HA . 52557 1 128 . 1 . 1 12 12 VAL HB H 1 1.922 0.005 . 1 . . . . . 12 VAL HB . 52557 1 129 . 1 . 1 12 12 VAL HG11 H 1 0.770 0.000 . 2 . . . . . 12 VAL HG11 . 52557 1 130 . 1 . 1 12 12 VAL HG12 H 1 0.770 0.000 . 2 . . . . . 12 VAL HG12 . 52557 1 131 . 1 . 1 12 12 VAL HG13 H 1 0.770 0.000 . 2 . . . . . 12 VAL HG13 . 52557 1 132 . 1 . 1 12 12 VAL HG21 H 1 0.801 0.007 . 2 . . . . . 12 VAL HG21 . 52557 1 133 . 1 . 1 12 12 VAL HG22 H 1 0.801 0.007 . 2 . . . . . 12 VAL HG22 . 52557 1 134 . 1 . 1 12 12 VAL HG23 H 1 0.801 0.007 . 2 . . . . . 12 VAL HG23 . 52557 1 135 . 1 . 1 12 12 VAL C C 13 176.663 0.000 . 1 . . . . . 12 VAL C . 52557 1 136 . 1 . 1 12 12 VAL CA C 13 59.553 0.004 . 1 . . . . . 12 VAL CA . 52557 1 137 . 1 . 1 12 12 VAL CB C 13 35.736 0.018 . 1 . . . . . 12 VAL CB . 52557 1 138 . 1 . 1 12 12 VAL CG1 C 13 20.988 0.000 . 2 . . . . . 12 VAL CG1 . 52557 1 139 . 1 . 1 12 12 VAL CG2 C 13 21.651 0.000 . 2 . . . . . 12 VAL CG2 . 52557 1 140 . 1 . 1 12 12 VAL N N 15 123.864 0.016 . 1 . . . . . 12 VAL N . 52557 1 141 . 1 . 1 13 13 GLN H H 1 8.208 0.007 . 1 . . . . . 13 GLN H . 52557 1 142 . 1 . 1 13 13 GLN HA H 1 4.692 0.007 . 1 . . . . . 13 GLN HA . 52557 1 143 . 1 . 1 13 13 GLN HB2 H 1 1.831 0.005 . 2 . . . . . 13 GLN HB2 . 52557 1 144 . 1 . 1 13 13 GLN HB3 H 1 2.018 0.005 . 2 . . . . . 13 GLN HB3 . 52557 1 145 . 1 . 1 13 13 GLN HG2 H 1 2.363 0.011 . 2 . . . . . 13 GLN HG2 . 52557 1 146 . 1 . 1 13 13 GLN HG3 H 1 2.020 0.005 . 2 . . . . . 13 GLN HG3 . 52557 1 147 . 1 . 1 13 13 GLN HE21 H 1 7.590 0.004 . 1 . . . . . 13 GLN HE21 . 52557 1 148 . 1 . 1 13 13 GLN HE22 H 1 6.737 0.005 . 1 . . . . . 13 GLN HE22 . 52557 1 149 . 1 . 1 13 13 GLN C C 13 173.236 0.000 . 1 . . . . . 13 GLN C . 52557 1 150 . 1 . 1 13 13 GLN CA C 13 53.717 0.023 . 1 . . . . . 13 GLN CA . 52557 1 151 . 1 . 1 13 13 GLN CB C 13 27.945 0.059 . 1 . . . . . 13 GLN CB . 52557 1 152 . 1 . 1 13 13 GLN CG C 13 33.685 0.005 . 1 . . . . . 13 GLN CG . 52557 1 153 . 1 . 1 13 13 GLN N N 15 122.173 0.032 . 1 . . . . . 13 GLN N . 52557 1 154 . 1 . 1 13 13 GLN NE2 N 15 114.558 0.012 . 1 . . . . . 13 GLN NE2 . 52557 1 155 . 1 . 1 14 14 PRO HA H 1 3.891 0.005 . 1 . . . . . 14 PRO HA . 52557 1 156 . 1 . 1 14 14 PRO HB2 H 1 2.155 0.006 . 2 . . . . . 14 PRO HB2 . 52557 1 157 . 1 . 1 14 14 PRO HB3 H 1 1.904 0.002 . 2 . . . . . 14 PRO HB3 . 52557 1 158 . 1 . 1 14 14 PRO CA C 13 63.759 0.050 . 1 . . . . . 14 PRO CA . 52557 1 159 . 1 . 1 14 14 PRO CB C 13 31.386 0.004 . 1 . . . . . 14 PRO CB . 52557 1 160 . 1 . 1 15 15 GLY H H 1 9.842 0.005 . 1 . . . . . 15 GLY H . 52557 1 161 . 1 . 1 15 15 GLY HA2 H 1 3.776 0.002 . 2 . . . . . 15 GLY HA2 . 52557 1 162 . 1 . 1 15 15 GLY HA3 H 1 4.397 0.001 . 2 . . . . . 15 GLY HA3 . 52557 1 163 . 1 . 1 15 15 GLY C C 13 177.469 0.000 . 1 . . . . . 15 GLY C . 52557 1 164 . 1 . 1 15 15 GLY CA C 13 44.895 0.023 . 1 . . . . . 15 GLY CA . 52557 1 165 . 1 . 1 15 15 GLY N N 15 114.678 0.024 . 1 . . . . . 15 GLY N . 52557 1 166 . 1 . 1 16 16 GLY H H 1 8.417 0.007 . 1 . . . . . 16 GLY H . 52557 1 167 . 1 . 1 16 16 GLY HA2 H 1 3.701 0.006 . 2 . . . . . 16 GLY HA2 . 52557 1 168 . 1 . 1 16 16 GLY HA3 H 1 4.285 0.017 . 2 . . . . . 16 GLY HA3 . 52557 1 169 . 1 . 1 16 16 GLY C C 13 175.322 0.000 . 1 . . . . . 16 GLY C . 52557 1 170 . 1 . 1 16 16 GLY CA C 13 44.697 0.011 . 1 . . . . . 16 GLY CA . 52557 1 171 . 1 . 1 16 16 GLY N N 15 109.340 0.018 . 1 . . . . . 16 GLY N . 52557 1 172 . 1 . 1 17 17 SER H H 1 7.871 0.005 . 1 . . . . . 17 SER H . 52557 1 173 . 1 . 1 17 17 SER HA H 1 5.751 0.002 . 1 . . . . . 17 SER HA . 52557 1 174 . 1 . 1 17 17 SER HB2 H 1 3.715 0.001 . 2 . . . . . 17 SER HB2 . 52557 1 175 . 1 . 1 17 17 SER HB3 H 1 3.560 0.003 . 2 . . . . . 17 SER HB3 . 52557 1 176 . 1 . 1 17 17 SER C C 13 170.614 0.000 . 1 . . . . . 17 SER C . 52557 1 177 . 1 . 1 17 17 SER CA C 13 56.941 0.062 . 1 . . . . . 17 SER CA . 52557 1 178 . 1 . 1 17 17 SER CB C 13 67.129 0.044 . 1 . . . . . 17 SER CB . 52557 1 179 . 1 . 1 17 17 SER N N 15 110.514 0.019 . 1 . . . . . 17 SER N . 52557 1 180 . 1 . 1 18 18 LEU H H 1 8.686 0.007 . 1 . . . . . 18 LEU H . 52557 1 181 . 1 . 1 18 18 LEU HA H 1 4.329 0.006 . 1 . . . . . 18 LEU HA . 52557 1 182 . 1 . 1 18 18 LEU HB2 H 1 1.217 0.005 . 1 . . . . . 18 LEU HB2 . 52557 1 183 . 1 . 1 18 18 LEU HB3 H 1 1.217 0.005 . 1 . . . . . 18 LEU HB3 . 52557 1 184 . 1 . 1 18 18 LEU HG H 1 1.222 0.005 . 1 . . . . . 18 LEU HG . 52557 1 185 . 1 . 1 18 18 LEU HD11 H 1 0.695 0.012 . 1 . . . . . 18 LEU HD11 . 52557 1 186 . 1 . 1 18 18 LEU HD12 H 1 0.695 0.012 . 1 . . . . . 18 LEU HD12 . 52557 1 187 . 1 . 1 18 18 LEU HD13 H 1 0.695 0.012 . 1 . . . . . 18 LEU HD13 . 52557 1 188 . 1 . 1 18 18 LEU C C 13 173.178 0.000 . 1 . . . . . 18 LEU C . 52557 1 189 . 1 . 1 18 18 LEU CA C 13 54.469 0.052 . 1 . . . . . 18 LEU CA . 52557 1 190 . 1 . 1 18 18 LEU CB C 13 48.135 0.022 . 1 . . . . . 18 LEU CB . 52557 1 191 . 1 . 1 18 18 LEU CG C 13 26.816 0.027 . 1 . . . . . 18 LEU CG . 52557 1 192 . 1 . 1 18 18 LEU CD1 C 13 25.931 0.000 . 1 . . . . . 18 LEU CD1 . 52557 1 193 . 1 . 1 18 18 LEU N N 15 122.565 0.027 . 1 . . . . . 18 LEU N . 52557 1 194 . 1 . 1 19 19 ARG H H 1 8.027 0.004 . 1 . . . . . 19 ARG H . 52557 1 195 . 1 . 1 19 19 ARG HA H 1 4.974 0.003 . 1 . . . . . 19 ARG HA . 52557 1 196 . 1 . 1 19 19 ARG HB2 H 1 1.641 0.006 . 1 . . . . . 19 ARG HB2 . 52557 1 197 . 1 . 1 19 19 ARG HB3 H 1 1.641 0.006 . 1 . . . . . 19 ARG HB3 . 52557 1 198 . 1 . 1 19 19 ARG HG2 H 1 1.232 0.009 . 1 . . . . . 19 ARG HG2 . 52557 1 199 . 1 . 1 19 19 ARG HG3 H 1 1.232 0.009 . 1 . . . . . 19 ARG HG3 . 52557 1 200 . 1 . 1 19 19 ARG HD2 H 1 2.944 0.003 . 1 . . . . . 19 ARG HD2 . 52557 1 201 . 1 . 1 19 19 ARG HD3 H 1 2.944 0.003 . 1 . . . . . 19 ARG HD3 . 52557 1 202 . 1 . 1 19 19 ARG C C 13 173.432 0.000 . 1 . . . . . 19 ARG C . 52557 1 203 . 1 . 1 19 19 ARG CA C 13 54.443 0.068 . 1 . . . . . 19 ARG CA . 52557 1 204 . 1 . 1 19 19 ARG CB C 13 32.468 0.038 . 1 . . . . . 19 ARG CB . 52557 1 205 . 1 . 1 19 19 ARG CG C 13 27.989 0.075 . 1 . . . . . 19 ARG CG . 52557 1 206 . 1 . 1 19 19 ARG CD C 13 43.617 0.026 . 1 . . . . . 19 ARG CD . 52557 1 207 . 1 . 1 19 19 ARG N N 15 122.150 0.043 . 1 . . . . . 19 ARG N . 52557 1 208 . 1 . 1 20 20 LEU H H 1 8.918 0.004 . 1 . . . . . 20 LEU H . 52557 1 209 . 1 . 1 20 20 LEU HA H 1 4.933 0.021 . 1 . . . . . 20 LEU HA . 52557 1 210 . 1 . 1 20 20 LEU HB2 H 1 1.155 0.014 . 2 . . . . . 20 LEU HB2 . 52557 1 211 . 1 . 1 20 20 LEU HB3 H 1 0.832 0.005 . 2 . . . . . 20 LEU HB3 . 52557 1 212 . 1 . 1 20 20 LEU HG H 1 -0.146 0.005 . 1 . . . . . 20 LEU HG . 52557 1 213 . 1 . 1 20 20 LEU HD11 H 1 0.184 0.005 . 1 . . . . . 20 LEU HD11 . 52557 1 214 . 1 . 1 20 20 LEU HD12 H 1 0.184 0.005 . 1 . . . . . 20 LEU HD12 . 52557 1 215 . 1 . 1 20 20 LEU HD13 H 1 0.184 0.005 . 1 . . . . . 20 LEU HD13 . 52557 1 216 . 1 . 1 20 20 LEU HD21 H 1 -0.146 0.005 . 1 . . . . . 20 LEU HD21 . 52557 1 217 . 1 . 1 20 20 LEU HD22 H 1 -0.146 0.005 . 1 . . . . . 20 LEU HD22 . 52557 1 218 . 1 . 1 20 20 LEU HD23 H 1 -0.146 0.005 . 1 . . . . . 20 LEU HD23 . 52557 1 219 . 1 . 1 20 20 LEU C C 13 175.562 0.000 . 1 . . . . . 20 LEU C . 52557 1 220 . 1 . 1 20 20 LEU CA C 13 52.977 0.103 . 1 . . . . . 20 LEU CA . 52557 1 221 . 1 . 1 20 20 LEU CB C 13 43.387 0.031 . 1 . . . . . 20 LEU CB . 52557 1 222 . 1 . 1 20 20 LEU CG C 13 26.161 0.000 . 1 . . . . . 20 LEU CG . 52557 1 223 . 1 . 1 20 20 LEU CD1 C 13 20.604 0.059 . 1 . . . . . 20 LEU CD1 . 52557 1 224 . 1 . 1 20 20 LEU CD2 C 13 20.567 0.000 . 1 . . . . . 20 LEU CD2 . 52557 1 225 . 1 . 1 20 20 LEU N N 15 127.060 0.019 . 1 . . . . . 20 LEU N . 52557 1 226 . 1 . 1 21 21 SER H H 1 8.823 0.008 . 1 . . . . . 21 SER H . 52557 1 227 . 1 . 1 21 21 SER HA H 1 5.493 0.001 . 1 . . . . . 21 SER HA . 52557 1 228 . 1 . 1 21 21 SER HB2 H 1 3.764 0.011 . 1 . . . . . 21 SER HB2 . 52557 1 229 . 1 . 1 21 21 SER HB3 H 1 3.764 0.011 . 1 . . . . . 21 SER HB3 . 52557 1 230 . 1 . 1 21 21 SER C C 13 176.915 0.000 . 1 . . . . . 21 SER C . 52557 1 231 . 1 . 1 21 21 SER CA C 13 57.406 0.025 . 1 . . . . . 21 SER CA . 52557 1 232 . 1 . 1 21 21 SER CB C 13 66.906 0.042 . 1 . . . . . 21 SER CB . 52557 1 233 . 1 . 1 21 21 SER N N 15 114.185 0.025 . 1 . . . . . 21 SER N . 52557 1 234 . 1 . 1 22 22 CYS H H 1 8.984 0.006 . 1 . . . . . 22 CYS H . 52557 1 235 . 1 . 1 22 22 CYS HA H 1 5.196 0.008 . 1 . . . . . 22 CYS HA . 52557 1 236 . 1 . 1 22 22 CYS HB2 H 1 2.748 0.002 . 2 . . . . . 22 CYS HB2 . 52557 1 237 . 1 . 1 22 22 CYS HB3 H 1 3.233 0.004 . 2 . . . . . 22 CYS HB3 . 52557 1 238 . 1 . 1 22 22 CYS C C 13 172.651 0.000 . 1 . . . . . 22 CYS C . 52557 1 239 . 1 . 1 22 22 CYS CA C 13 54.023 0.024 . 1 . . . . . 22 CYS CA . 52557 1 240 . 1 . 1 22 22 CYS CB C 13 43.088 0.042 . 1 . . . . . 22 CYS CB . 52557 1 241 . 1 . 1 22 22 CYS N N 15 123.115 0.028 . 1 . . . . . 22 CYS N . 52557 1 242 . 1 . 1 23 23 ALA H H 1 8.558 0.008 . 1 . . . . . 23 ALA H . 52557 1 243 . 1 . 1 23 23 ALA HA H 1 5.120 0.005 . 1 . . . . . 23 ALA HA . 52557 1 244 . 1 . 1 23 23 ALA HB1 H 1 1.333 0.001 . 1 . . . . . 23 ALA HB1 . 52557 1 245 . 1 . 1 23 23 ALA HB2 H 1 1.333 0.001 . 1 . . . . . 23 ALA HB2 . 52557 1 246 . 1 . 1 23 23 ALA HB3 H 1 1.333 0.001 . 1 . . . . . 23 ALA HB3 . 52557 1 247 . 1 . 1 23 23 ALA C C 13 171.288 0.000 . 1 . . . . . 23 ALA C . 52557 1 248 . 1 . 1 23 23 ALA CA C 13 51.167 0.078 . 1 . . . . . 23 ALA CA . 52557 1 249 . 1 . 1 23 23 ALA CB C 13 20.474 0.022 . 1 . . . . . 23 ALA CB . 52557 1 250 . 1 . 1 23 23 ALA N N 15 130.717 0.017 . 1 . . . . . 23 ALA N . 52557 1 251 . 1 . 1 24 24 ALA H H 1 8.233 0.007 . 1 . . . . . 24 ALA H . 52557 1 252 . 1 . 1 24 24 ALA HA H 1 5.535 0.005 . 1 . . . . . 24 ALA HA . 52557 1 253 . 1 . 1 24 24 ALA HB1 H 1 1.235 0.006 . 1 . . . . . 24 ALA HB1 . 52557 1 254 . 1 . 1 24 24 ALA HB2 H 1 1.235 0.006 . 1 . . . . . 24 ALA HB2 . 52557 1 255 . 1 . 1 24 24 ALA HB3 H 1 1.235 0.006 . 1 . . . . . 24 ALA HB3 . 52557 1 256 . 1 . 1 24 24 ALA C C 13 176.760 0.000 . 1 . . . . . 24 ALA C . 52557 1 257 . 1 . 1 24 24 ALA CA C 13 50.552 0.037 . 1 . . . . . 24 ALA CA . 52557 1 258 . 1 . 1 24 24 ALA CB C 13 24.545 0.021 . 1 . . . . . 24 ALA CB . 52557 1 259 . 1 . 1 24 24 ALA N N 15 127.478 0.032 . 1 . . . . . 24 ALA N . 52557 1 260 . 1 . 1 25 25 SER H H 1 8.976 0.006 . 1 . . . . . 25 SER H . 52557 1 261 . 1 . 1 25 25 SER HA H 1 4.595 0.002 . 1 . . . . . 25 SER HA . 52557 1 262 . 1 . 1 25 25 SER HB2 H 1 3.850 0.003 . 1 . . . . . 25 SER HB2 . 52557 1 263 . 1 . 1 25 25 SER HB3 H 1 3.850 0.003 . 1 . . . . . 25 SER HB3 . 52557 1 264 . 1 . 1 25 25 SER C C 13 176.316 0.000 . 1 . . . . . 25 SER C . 52557 1 265 . 1 . 1 25 25 SER CA C 13 58.026 0.078 . 1 . . . . . 25 SER CA . 52557 1 266 . 1 . 1 25 25 SER CB C 13 65.621 0.027 . 1 . . . . . 25 SER CB . 52557 1 267 . 1 . 1 25 25 SER N N 15 113.835 0.016 . 1 . . . . . 25 SER N . 52557 1 268 . 1 . 1 26 26 GLY H H 1 8.704 0.006 . 1 . . . . . 26 GLY H . 52557 1 269 . 1 . 1 26 26 GLY HA2 H 1 4.558 0.013 . 2 . . . . . 26 GLY HA2 . 52557 1 270 . 1 . 1 26 26 GLY HA3 H 1 3.713 0.003 . 2 . . . . . 26 GLY HA3 . 52557 1 271 . 1 . 1 26 26 GLY C C 13 174.335 0.000 . 1 . . . . . 26 GLY C . 52557 1 272 . 1 . 1 26 26 GLY CA C 13 46.033 0.079 . 1 . . . . . 26 GLY CA . 52557 1 273 . 1 . 1 26 26 GLY N N 15 107.344 0.015 . 1 . . . . . 26 GLY N . 52557 1 274 . 1 . 1 27 27 PHE H H 1 7.358 0.004 . 1 . . . . . 27 PHE H . 52557 1 275 . 1 . 1 27 27 PHE HA H 1 4.929 0.001 . 1 . . . . . 27 PHE HA . 52557 1 276 . 1 . 1 27 27 PHE HB2 H 1 3.210 0.001 . 2 . . . . . 27 PHE HB2 . 52557 1 277 . 1 . 1 27 27 PHE HB3 H 1 3.155 0.001 . 2 . . . . . 27 PHE HB3 . 52557 1 278 . 1 . 1 27 27 PHE C C 13 173.667 0.000 . 1 . . . . . 27 PHE C . 52557 1 279 . 1 . 1 27 27 PHE CA C 13 54.876 0.048 . 1 . . . . . 27 PHE CA . 52557 1 280 . 1 . 1 27 27 PHE CB C 13 39.240 0.008 . 1 . . . . . 27 PHE CB . 52557 1 281 . 1 . 1 27 27 PHE N N 15 113.356 0.116 . 1 . . . . . 27 PHE N . 52557 1 282 . 1 . 1 28 28 THR HA H 1 4.248 0.002 . 1 . . . . . 28 THR HA . 52557 1 283 . 1 . 1 28 28 THR HB H 1 4.328 0.001 . 1 . . . . . 28 THR HB . 52557 1 284 . 1 . 1 28 28 THR HG21 H 1 1.197 0.014 . 1 . . . . . 28 THR HG21 . 52557 1 285 . 1 . 1 28 28 THR HG22 H 1 1.197 0.014 . 1 . . . . . 28 THR HG22 . 52557 1 286 . 1 . 1 28 28 THR HG23 H 1 1.197 0.014 . 1 . . . . . 28 THR HG23 . 52557 1 287 . 1 . 1 28 28 THR CA C 13 61.870 0.000 . 1 . . . . . 28 THR CA . 52557 1 288 . 1 . 1 28 28 THR CB C 13 66.832 0.014 . 1 . . . . . 28 THR CB . 52557 1 289 . 1 . 1 28 28 THR CG2 C 13 22.904 0.000 . 1 . . . . . 28 THR CG2 . 52557 1 290 . 1 . 1 29 29 PHE H H 1 8.362 0.003 . 1 . . . . . 29 PHE H . 52557 1 291 . 1 . 1 29 29 PHE HA H 1 3.731 0.003 . 1 . . . . . 29 PHE HA . 52557 1 292 . 1 . 1 29 29 PHE HB2 H 1 2.538 0.011 . 2 . . . . . 29 PHE HB2 . 52557 1 293 . 1 . 1 29 29 PHE HB3 H 1 2.978 0.005 . 2 . . . . . 29 PHE HB3 . 52557 1 294 . 1 . 1 29 29 PHE HD1 H 1 7.043 0.009 . 1 . . . . . 29 PHE HD1 . 52557 1 295 . 1 . 1 29 29 PHE HD2 H 1 7.043 0.009 . 1 . . . . . 29 PHE HD2 . 52557 1 296 . 1 . 1 29 29 PHE HE1 H 1 7.283 0.010 . 1 . . . . . 29 PHE HE1 . 52557 1 297 . 1 . 1 29 29 PHE HE2 H 1 7.283 0.010 . 1 . . . . . 29 PHE HE2 . 52557 1 298 . 1 . 1 29 29 PHE HZ H 1 7.094 0.000 . 1 . . . . . 29 PHE HZ . 52557 1 299 . 1 . 1 29 29 PHE C C 13 175.023 0.000 . 1 . . . . . 29 PHE C . 52557 1 300 . 1 . 1 29 29 PHE CA C 13 62.214 0.035 . 1 . . . . . 29 PHE CA . 52557 1 301 . 1 . 1 29 29 PHE CB C 13 39.950 0.029 . 1 . . . . . 29 PHE CB . 52557 1 302 . 1 . 1 29 29 PHE CD1 C 13 132.688 0.000 . 1 . . . . . 29 PHE CD1 . 52557 1 303 . 1 . 1 29 29 PHE CD2 C 13 132.688 0.000 . 1 . . . . . 29 PHE CD2 . 52557 1 304 . 1 . 1 29 29 PHE CE1 C 13 131.316 0.000 . 1 . . . . . 29 PHE CE1 . 52557 1 305 . 1 . 1 29 29 PHE CE2 C 13 131.316 0.000 . 1 . . . . . 29 PHE CE2 . 52557 1 306 . 1 . 1 29 29 PHE N N 15 135.751 0.016 . 1 . . . . . 29 PHE N . 52557 1 307 . 1 . 1 30 30 SER H H 1 8.675 0.004 . 1 . . . . . 30 SER H . 52557 1 308 . 1 . 1 30 30 SER HA H 1 3.804 0.003 . 1 . . . . . 30 SER HA . 52557 1 309 . 1 . 1 30 30 SER HB2 H 1 4.005 0.012 . 2 . . . . . 30 SER HB2 . 52557 1 310 . 1 . 1 30 30 SER HB3 H 1 3.859 0.005 . 2 . . . . . 30 SER HB3 . 52557 1 311 . 1 . 1 30 30 SER C C 13 176.880 0.000 . 1 . . . . . 30 SER C . 52557 1 312 . 1 . 1 30 30 SER CA C 13 62.018 1.074 . 1 . . . . . 30 SER CA . 52557 1 313 . 1 . 1 30 30 SER CB C 13 61.653 1.055 . 1 . . . . . 30 SER CB . 52557 1 314 . 1 . 1 30 30 SER N N 15 110.452 0.041 . 1 . . . . . 30 SER N . 52557 1 315 . 1 . 1 31 31 ASP H H 1 7.024 0.005 . 1 . . . . . 31 ASP H . 52557 1 316 . 1 . 1 31 31 ASP HA H 1 5.003 0.002 . 1 . . . . . 31 ASP HA . 52557 1 317 . 1 . 1 31 31 ASP HB2 H 1 2.462 0.005 . 2 . . . . . 31 ASP HB2 . 52557 1 318 . 1 . 1 31 31 ASP HB3 H 1 2.886 0.002 . 2 . . . . . 31 ASP HB3 . 52557 1 319 . 1 . 1 31 31 ASP C C 13 172.139 0.000 . 1 . . . . . 31 ASP C . 52557 1 320 . 1 . 1 31 31 ASP CA C 13 53.575 0.032 . 1 . . . . . 31 ASP CA . 52557 1 321 . 1 . 1 31 31 ASP CB C 13 42.724 0.043 . 1 . . . . . 31 ASP CB . 52557 1 322 . 1 . 1 31 31 ASP N N 15 117.101 0.019 . 1 . . . . . 31 ASP N . 52557 1 323 . 1 . 1 32 32 THR H H 1 7.512 0.003 . 1 . . . . . 32 THR H . 52557 1 324 . 1 . 1 32 32 THR HA H 1 4.742 0.007 . 1 . . . . . 32 THR HA . 52557 1 325 . 1 . 1 32 32 THR HB H 1 3.974 0.003 . 1 . . . . . 32 THR HB . 52557 1 326 . 1 . 1 32 32 THR HG21 H 1 1.441 0.004 . 1 . . . . . 32 THR HG21 . 52557 1 327 . 1 . 1 32 32 THR HG22 H 1 1.441 0.004 . 1 . . . . . 32 THR HG22 . 52557 1 328 . 1 . 1 32 32 THR HG23 H 1 1.441 0.004 . 1 . . . . . 32 THR HG23 . 52557 1 329 . 1 . 1 32 32 THR C C 13 176.651 0.000 . 1 . . . . . 32 THR C . 52557 1 330 . 1 . 1 32 32 THR CA C 13 62.745 0.044 . 1 . . . . . 32 THR CA . 52557 1 331 . 1 . 1 32 32 THR CB C 13 71.339 0.059 . 1 . . . . . 32 THR CB . 52557 1 332 . 1 . 1 32 32 THR CG2 C 13 21.765 0.019 . 1 . . . . . 32 THR CG2 . 52557 1 333 . 1 . 1 32 32 THR N N 15 115.026 0.023 . 1 . . . . . 32 THR N . 52557 1 334 . 1 . 1 33 33 TRP H H 1 9.237 0.490 . 1 . . . . . 33 TRP H . 52557 1 335 . 1 . 1 33 33 TRP HA H 1 4.203 0.004 . 1 . . . . . 33 TRP HA . 52557 1 336 . 1 . 1 33 33 TRP HB2 H 1 2.829 0.000 . 2 . . . . . 33 TRP HB2 . 52557 1 337 . 1 . 1 33 33 TRP HB3 H 1 3.013 0.013 . 2 . . . . . 33 TRP HB3 . 52557 1 338 . 1 . 1 33 33 TRP HD1 H 1 7.489 0.007 . 1 . . . . . 33 TRP HD1 . 52557 1 339 . 1 . 1 33 33 TRP HE1 H 1 10.508 0.001 . 1 . . . . . 33 TRP HE1 . 52557 1 340 . 1 . 1 33 33 TRP HE3 H 1 7.360 0.010 . 1 . . . . . 33 TRP HE3 . 52557 1 341 . 1 . 1 33 33 TRP HZ2 H 1 7.629 0.009 . 1 . . . . . 33 TRP HZ2 . 52557 1 342 . 1 . 1 33 33 TRP HZ3 H 1 6.914 0.002 . 1 . . . . . 33 TRP HZ3 . 52557 1 343 . 1 . 1 33 33 TRP HH2 H 1 7.236 0.023 . 1 . . . . . 33 TRP HH2 . 52557 1 344 . 1 . 1 33 33 TRP C C 13 175.119 0.000 . 1 . . . . . 33 TRP C . 52557 1 345 . 1 . 1 33 33 TRP CA C 13 60.084 0.097 . 1 . . . . . 33 TRP CA . 52557 1 346 . 1 . 1 33 33 TRP CB C 13 28.925 0.072 . 1 . . . . . 33 TRP CB . 52557 1 347 . 1 . 1 33 33 TRP CD1 C 13 126.883 0.000 . 1 . . . . . 33 TRP CD1 . 52557 1 348 . 1 . 1 33 33 TRP CE3 C 13 120.642 0.000 . 1 . . . . . 33 TRP CE3 . 52557 1 349 . 1 . 1 33 33 TRP CZ2 C 13 115.565 0.000 . 1 . . . . . 33 TRP CZ2 . 52557 1 350 . 1 . 1 33 33 TRP CZ3 C 13 122.319 0.000 . 1 . . . . . 33 TRP CZ3 . 52557 1 351 . 1 . 1 33 33 TRP CH2 C 13 124.837 0.000 . 1 . . . . . 33 TRP CH2 . 52557 1 352 . 1 . 1 33 33 TRP N N 15 131.372 0.056 . 1 . . . . . 33 TRP N . 52557 1 353 . 1 . 1 33 33 TRP NE1 N 15 131.372 0.027 . 1 . . . . . 33 TRP NE1 . 52557 1 354 . 1 . 1 34 34 MET H H 1 8.566 0.005 . 1 . . . . . 34 MET H . 52557 1 355 . 1 . 1 34 34 MET HA H 1 5.698 0.004 . 1 . . . . . 34 MET HA . 52557 1 356 . 1 . 1 34 34 MET HB2 H 1 1.930 0.012 . 2 . . . . . 34 MET HB2 . 52557 1 357 . 1 . 1 34 34 MET HB3 H 1 1.566 0.005 . 2 . . . . . 34 MET HB3 . 52557 1 358 . 1 . 1 34 34 MET HG2 H 1 2.395 0.012 . 1 . . . . . 34 MET HG2 . 52557 1 359 . 1 . 1 34 34 MET HG3 H 1 2.397 0.012 . 1 . . . . . 34 MET HG3 . 52557 1 360 . 1 . 1 34 34 MET HE1 H 1 1.933 0.009 . 1 . . . . . 34 MET HE1 . 52557 1 361 . 1 . 1 34 34 MET HE2 H 1 1.933 0.009 . 1 . . . . . 34 MET HE2 . 52557 1 362 . 1 . 1 34 34 MET HE3 H 1 1.933 0.009 . 1 . . . . . 34 MET HE3 . 52557 1 363 . 1 . 1 34 34 MET C C 13 175.080 0.000 . 1 . . . . . 34 MET C . 52557 1 364 . 1 . 1 34 34 MET CA C 13 52.138 0.025 . 1 . . . . . 34 MET CA . 52557 1 365 . 1 . 1 34 34 MET CB C 13 34.586 0.042 . 1 . . . . . 34 MET CB . 52557 1 366 . 1 . 1 34 34 MET CG C 13 30.787 0.033 . 1 . . . . . 34 MET CG . 52557 1 367 . 1 . 1 34 34 MET CE C 13 15.268 0.000 . 1 . . . . . 34 MET CE . 52557 1 368 . 1 . 1 34 34 MET N N 15 116.853 0.045 . 1 . . . . . 34 MET N . 52557 1 369 . 1 . 1 35 35 ASN H H 1 8.349 0.005 . 1 . . . . . 35 ASN H . 52557 1 370 . 1 . 1 35 35 ASN HA H 1 6.107 0.003 . 1 . . . . . 35 ASN HA . 52557 1 371 . 1 . 1 35 35 ASN HB2 H 1 2.426 0.004 . 2 . . . . . 35 ASN HB2 . 52557 1 372 . 1 . 1 35 35 ASN HB3 H 1 2.853 0.008 . 2 . . . . . 35 ASN HB3 . 52557 1 373 . 1 . 1 35 35 ASN HD21 H 1 7.712 0.006 . 1 . . . . . 35 ASN HD21 . 52557 1 374 . 1 . 1 35 35 ASN HD22 H 1 6.269 0.007 . 1 . . . . . 35 ASN HD22 . 52557 1 375 . 1 . 1 35 35 ASN C C 13 175.829 0.000 . 1 . . . . . 35 ASN C . 52557 1 376 . 1 . 1 35 35 ASN CA C 13 52.755 0.078 . 1 . . . . . 35 ASN CA . 52557 1 377 . 1 . 1 35 35 ASN CB C 13 45.790 0.037 . 1 . . . . . 35 ASN CB . 52557 1 378 . 1 . 1 35 35 ASN N N 15 114.074 0.031 . 1 . . . . . 35 ASN N . 52557 1 379 . 1 . 1 35 35 ASN ND2 N 15 114.178 0.002 . 1 . . . . . 35 ASN ND2 . 52557 1 380 . 1 . 1 36 36 TRP H H 1 8.793 0.006 . 1 . . . . . 36 TRP H . 52557 1 381 . 1 . 1 36 36 TRP HA H 1 5.675 0.002 . 1 . . . . . 36 TRP HA . 52557 1 382 . 1 . 1 36 36 TRP HB2 H 1 3.179 0.002 . 2 . . . . . 36 TRP HB2 . 52557 1 383 . 1 . 1 36 36 TRP HB3 H 1 2.724 0.007 . 2 . . . . . 36 TRP HB3 . 52557 1 384 . 1 . 1 36 36 TRP HD1 H 1 6.969 0.001 . 1 . . . . . 36 TRP HD1 . 52557 1 385 . 1 . 1 36 36 TRP HE1 H 1 7.711 0.001 . 1 . . . . . 36 TRP HE1 . 52557 1 386 . 1 . 1 36 36 TRP HE3 H 1 7.663 0.006 . 1 . . . . . 36 TRP HE3 . 52557 1 387 . 1 . 1 36 36 TRP HZ2 H 1 6.920 0.010 . 1 . . . . . 36 TRP HZ2 . 52557 1 388 . 1 . 1 36 36 TRP HZ3 H 1 6.806 0.004 . 1 . . . . . 36 TRP HZ3 . 52557 1 389 . 1 . 1 36 36 TRP HH2 H 1 7.025 0.001 . 1 . . . . . 36 TRP HH2 . 52557 1 390 . 1 . 1 36 36 TRP C C 13 174.317 0.000 . 1 . . . . . 36 TRP C . 52557 1 391 . 1 . 1 36 36 TRP CA C 13 56.808 0.073 . 1 . . . . . 36 TRP CA . 52557 1 392 . 1 . 1 36 36 TRP CB C 13 32.752 0.044 . 1 . . . . . 36 TRP CB . 52557 1 393 . 1 . 1 36 36 TRP CD1 C 13 125.499 0.000 . 1 . . . . . 36 TRP CD1 . 52557 1 394 . 1 . 1 36 36 TRP CE3 C 13 120.902 0.000 . 1 . . . . . 36 TRP CE3 . 52557 1 395 . 1 . 1 36 36 TRP CZ2 C 13 113.857 0.000 . 1 . . . . . 36 TRP CZ2 . 52557 1 396 . 1 . 1 36 36 TRP CZ3 C 13 122.163 0.000 . 1 . . . . . 36 TRP CZ3 . 52557 1 397 . 1 . 1 36 36 TRP CH2 C 13 125.037 0.000 . 1 . . . . . 36 TRP CH2 . 52557 1 398 . 1 . 1 36 36 TRP N N 15 116.186 0.039 . 1 . . . . . 36 TRP N . 52557 1 399 . 1 . 1 36 36 TRP NE1 N 15 122.435 0.019 . 1 . . . . . 36 TRP NE1 . 52557 1 400 . 1 . 1 37 37 VAL H H 1 9.870 0.004 . 1 . . . . . 37 VAL H . 52557 1 401 . 1 . 1 37 37 VAL HA H 1 5.020 0.002 . 1 . . . . . 37 VAL HA . 52557 1 402 . 1 . 1 37 37 VAL HB H 1 2.107 0.003 . 1 . . . . . 37 VAL HB . 52557 1 403 . 1 . 1 37 37 VAL HG11 H 1 0.830 0.004 . 2 . . . . . 37 VAL HG11 . 52557 1 404 . 1 . 1 37 37 VAL HG12 H 1 0.830 0.004 . 2 . . . . . 37 VAL HG12 . 52557 1 405 . 1 . 1 37 37 VAL HG13 H 1 0.830 0.004 . 2 . . . . . 37 VAL HG13 . 52557 1 406 . 1 . 1 37 37 VAL HG21 H 1 0.956 0.015 . 2 . . . . . 37 VAL HG21 . 52557 1 407 . 1 . 1 37 37 VAL HG22 H 1 0.956 0.015 . 2 . . . . . 37 VAL HG22 . 52557 1 408 . 1 . 1 37 37 VAL HG23 H 1 0.956 0.015 . 2 . . . . . 37 VAL HG23 . 52557 1 409 . 1 . 1 37 37 VAL C C 13 175.401 0.000 . 1 . . . . . 37 VAL C . 52557 1 410 . 1 . 1 37 37 VAL CA C 13 59.102 0.058 . 1 . . . . . 37 VAL CA . 52557 1 411 . 1 . 1 37 37 VAL CB C 13 35.339 0.019 . 1 . . . . . 37 VAL CB . 52557 1 412 . 1 . 1 37 37 VAL CG1 C 13 21.079 0.000 . 2 . . . . . 37 VAL CG1 . 52557 1 413 . 1 . 1 37 37 VAL CG2 C 13 21.987 0.000 . 2 . . . . . 37 VAL CG2 . 52557 1 414 . 1 . 1 37 37 VAL N N 15 117.819 0.037 . 1 . . . . . 37 VAL N . 52557 1 415 . 1 . 1 38 38 ARG H H 1 9.682 0.003 . 1 . . . . . 38 ARG H . 52557 1 416 . 1 . 1 38 38 ARG HA H 1 5.780 0.005 . 1 . . . . . 38 ARG HA . 52557 1 417 . 1 . 1 38 38 ARG HB2 H 1 0.821 0.018 . 2 . . . . . 38 ARG HB2 . 52557 1 418 . 1 . 1 38 38 ARG HB3 H 1 0.827 0.014 . 2 . . . . . 38 ARG HB3 . 52557 1 419 . 1 . 1 38 38 ARG C C 13 172.880 0.000 . 1 . . . . . 38 ARG C . 52557 1 420 . 1 . 1 38 38 ARG CA C 13 53.937 0.061 . 1 . . . . . 38 ARG CA . 52557 1 421 . 1 . 1 38 38 ARG CB C 13 33.291 0.054 . 1 . . . . . 38 ARG CB . 52557 1 422 . 1 . 1 38 38 ARG N N 15 119.109 0.020 . 1 . . . . . 38 ARG N . 52557 1 423 . 1 . 1 39 39 GLN H H 1 9.214 0.005 . 1 . . . . . 39 GLN H . 52557 1 424 . 1 . 1 39 39 GLN HA H 1 4.888 0.006 . 1 . . . . . 39 GLN HA . 52557 1 425 . 1 . 1 39 39 GLN HB2 H 1 1.798 0.007 . 2 . . . . . 39 GLN HB2 . 52557 1 426 . 1 . 1 39 39 GLN HB3 H 1 2.187 0.007 . 2 . . . . . 39 GLN HB3 . 52557 1 427 . 1 . 1 39 39 GLN C C 13 173.479 0.000 . 1 . . . . . 39 GLN C . 52557 1 428 . 1 . 1 39 39 GLN CA C 13 54.986 0.106 . 1 . . . . . 39 GLN CA . 52557 1 429 . 1 . 1 39 39 GLN CB C 13 32.866 0.034 . 1 . . . . . 39 GLN CB . 52557 1 430 . 1 . 1 39 39 GLN N N 15 121.228 0.016 . 1 . . . . . 39 GLN N . 52557 1 431 . 1 . 1 40 40 ALA H H 1 9.608 0.008 . 1 . . . . . 40 ALA H . 52557 1 432 . 1 . 1 40 40 ALA HA H 1 4.794 0.011 . 1 . . . . . 40 ALA HA . 52557 1 433 . 1 . 1 40 40 ALA HB1 H 1 1.448 0.009 . 1 . . . . . 40 ALA HB1 . 52557 1 434 . 1 . 1 40 40 ALA HB2 H 1 1.448 0.009 . 1 . . . . . 40 ALA HB2 . 52557 1 435 . 1 . 1 40 40 ALA HB3 H 1 1.448 0.009 . 1 . . . . . 40 ALA HB3 . 52557 1 436 . 1 . 1 40 40 ALA C C 13 174.845 0.000 . 1 . . . . . 40 ALA C . 52557 1 437 . 1 . 1 40 40 ALA CA C 13 50.241 0.001 . 1 . . . . . 40 ALA CA . 52557 1 438 . 1 . 1 40 40 ALA CB C 13 18.074 0.026 . 1 . . . . . 40 ALA CB . 52557 1 439 . 1 . 1 40 40 ALA N N 15 136.693 0.018 . 1 . . . . . 40 ALA N . 52557 1 440 . 1 . 1 41 41 PRO HA H 1 4.326 0.004 . 1 . . . . . 41 PRO HA . 52557 1 441 . 1 . 1 41 41 PRO HB2 H 1 2.271 0.013 . 2 . . . . . 41 PRO HB2 . 52557 1 442 . 1 . 1 41 41 PRO HB3 H 1 1.907 0.009 . 2 . . . . . 41 PRO HB3 . 52557 1 443 . 1 . 1 41 41 PRO HG2 H 1 2.133 0.006 . 1 . . . . . 41 PRO HG2 . 52557 1 444 . 1 . 1 41 41 PRO HG3 H 1 2.133 0.006 . 1 . . . . . 41 PRO HG3 . 52557 1 445 . 1 . 1 41 41 PRO HD2 H 1 3.811 0.013 . 2 . . . . . 41 PRO HD2 . 52557 1 446 . 1 . 1 41 41 PRO HD3 H 1 3.634 0.014 . 2 . . . . . 41 PRO HD3 . 52557 1 447 . 1 . 1 41 41 PRO CA C 13 64.154 0.055 . 1 . . . . . 41 PRO CA . 52557 1 448 . 1 . 1 41 41 PRO CB C 13 31.453 0.038 . 1 . . . . . 41 PRO CB . 52557 1 449 . 1 . 1 41 41 PRO CG C 13 27.936 0.073 . 1 . . . . . 41 PRO CG . 52557 1 450 . 1 . 1 41 41 PRO CD C 13 50.403 0.062 . 1 . . . . . 41 PRO CD . 52557 1 451 . 1 . 1 42 42 GLY H H 1 8.773 0.008 . 1 . . . . . 42 GLY H . 52557 1 452 . 1 . 1 42 42 GLY HA2 H 1 3.762 0.004 . 2 . . . . . 42 GLY HA2 . 52557 1 453 . 1 . 1 42 42 GLY HA3 H 1 4.120 0.017 . 2 . . . . . 42 GLY HA3 . 52557 1 454 . 1 . 1 42 42 GLY C C 13 178.408 0.000 . 1 . . . . . 42 GLY C . 52557 1 455 . 1 . 1 42 42 GLY CA C 13 45.768 0.060 . 1 . . . . . 42 GLY CA . 52557 1 456 . 1 . 1 42 42 GLY N N 15 112.951 0.022 . 1 . . . . . 42 GLY N . 52557 1 457 . 1 . 1 43 43 LYS H H 1 8.054 0.005 . 1 . . . . . 43 LYS H . 52557 1 458 . 1 . 1 43 43 LYS HA H 1 4.816 0.005 . 1 . . . . . 43 LYS HA . 52557 1 459 . 1 . 1 43 43 LYS HB2 H 1 2.048 0.011 . 1 . . . . . 43 LYS HB2 . 52557 1 460 . 1 . 1 43 43 LYS HB3 H 1 2.048 0.011 . 1 . . . . . 43 LYS HB3 . 52557 1 461 . 1 . 1 43 43 LYS HG2 H 1 1.296 0.010 . 2 . . . . . 43 LYS HG2 . 52557 1 462 . 1 . 1 43 43 LYS HG3 H 1 1.437 0.009 . 2 . . . . . 43 LYS HG3 . 52557 1 463 . 1 . 1 43 43 LYS HD2 H 1 1.615 0.004 . 2 . . . . . 43 LYS HD2 . 52557 1 464 . 1 . 1 43 43 LYS HD3 H 1 1.712 0.010 . 2 . . . . . 43 LYS HD3 . 52557 1 465 . 1 . 1 43 43 LYS HE2 H 1 2.984 0.009 . 1 . . . . . 43 LYS HE2 . 52557 1 466 . 1 . 1 43 43 LYS HE3 H 1 2.984 0.009 . 1 . . . . . 43 LYS HE3 . 52557 1 467 . 1 . 1 43 43 LYS C C 13 174.149 0.000 . 1 . . . . . 43 LYS C . 52557 1 468 . 1 . 1 43 43 LYS CA C 13 54.032 0.002 . 1 . . . . . 43 LYS CA . 52557 1 469 . 1 . 1 43 43 LYS CB C 13 35.223 0.007 . 1 . . . . . 43 LYS CB . 52557 1 470 . 1 . 1 43 43 LYS CG C 13 24.800 0.000 . 1 . . . . . 43 LYS CG . 52557 1 471 . 1 . 1 43 43 LYS CD C 13 28.639 0.115 . 1 . . . . . 43 LYS CD . 52557 1 472 . 1 . 1 43 43 LYS CE C 13 42.563 0.000 . 1 . . . . . 43 LYS CE . 52557 1 473 . 1 . 1 43 43 LYS N N 15 120.059 0.018 . 1 . . . . . 43 LYS N . 52557 1 474 . 1 . 1 44 44 GLY H H 1 8.290 0.007 . 1 . . . . . 44 GLY H . 52557 1 475 . 1 . 1 44 44 GLY HA2 H 1 3.715 0.001 . 2 . . . . . 44 GLY HA2 . 52557 1 476 . 1 . 1 44 44 GLY HA3 H 1 4.239 0.004 . 2 . . . . . 44 GLY HA3 . 52557 1 477 . 1 . 1 44 44 GLY C C 13 176.556 0.000 . 1 . . . . . 44 GLY C . 52557 1 478 . 1 . 1 44 44 GLY CA C 13 44.251 0.059 . 1 . . . . . 44 GLY CA . 52557 1 479 . 1 . 1 44 44 GLY N N 15 106.079 0.020 . 1 . . . . . 44 GLY N . 52557 1 480 . 1 . 1 45 45 LEU H H 1 8.100 0.006 . 1 . . . . . 45 LEU H . 52557 1 481 . 1 . 1 45 45 LEU HA H 1 4.421 0.003 . 1 . . . . . 45 LEU HA . 52557 1 482 . 1 . 1 45 45 LEU HB2 H 1 1.493 0.005 . 2 . . . . . 45 LEU HB2 . 52557 1 483 . 1 . 1 45 45 LEU HB3 H 1 1.270 0.004 . 2 . . . . . 45 LEU HB3 . 52557 1 484 . 1 . 1 45 45 LEU HG H 1 1.405 0.013 . 1 . . . . . 45 LEU HG . 52557 1 485 . 1 . 1 45 45 LEU HD11 H 1 0.563 0.008 . 2 . . . . . 45 LEU HD11 . 52557 1 486 . 1 . 1 45 45 LEU HD12 H 1 0.563 0.008 . 2 . . . . . 45 LEU HD12 . 52557 1 487 . 1 . 1 45 45 LEU HD13 H 1 0.563 0.008 . 2 . . . . . 45 LEU HD13 . 52557 1 488 . 1 . 1 45 45 LEU HD21 H 1 0.635 0.016 . 2 . . . . . 45 LEU HD21 . 52557 1 489 . 1 . 1 45 45 LEU HD22 H 1 0.635 0.016 . 2 . . . . . 45 LEU HD22 . 52557 1 490 . 1 . 1 45 45 LEU HD23 H 1 0.635 0.016 . 2 . . . . . 45 LEU HD23 . 52557 1 491 . 1 . 1 45 45 LEU C C 13 172.742 0.000 . 1 . . . . . 45 LEU C . 52557 1 492 . 1 . 1 45 45 LEU CA C 13 55.534 0.050 . 1 . . . . . 45 LEU CA . 52557 1 493 . 1 . 1 45 45 LEU CB C 13 43.586 0.047 . 1 . . . . . 45 LEU CB . 52557 1 494 . 1 . 1 45 45 LEU CG C 13 27.404 0.000 . 1 . . . . . 45 LEU CG . 52557 1 495 . 1 . 1 45 45 LEU CD1 C 13 25.264 0.000 . 1 . . . . . 45 LEU CD1 . 52557 1 496 . 1 . 1 45 45 LEU N N 15 120.334 0.015 . 1 . . . . . 45 LEU N . 52557 1 497 . 1 . 1 46 46 TYR H H 1 9.277 0.005 . 1 . . . . . 46 TYR H . 52557 1 498 . 1 . 1 46 46 TYR HA H 1 4.782 0.002 . 1 . . . . . 46 TYR HA . 52557 1 499 . 1 . 1 46 46 TYR HB2 H 1 2.761 0.004 . 2 . . . . . 46 TYR HB2 . 52557 1 500 . 1 . 1 46 46 TYR HB3 H 1 3.009 0.002 . 2 . . . . . 46 TYR HB3 . 52557 1 501 . 1 . 1 46 46 TYR HD1 H 1 7.133 0.011 . 1 . . . . . 46 TYR HD1 . 52557 1 502 . 1 . 1 46 46 TYR HD2 H 1 7.133 0.011 . 1 . . . . . 46 TYR HD2 . 52557 1 503 . 1 . 1 46 46 TYR HE1 H 1 6.768 0.000 . 1 . . . . . 46 TYR HE1 . 52557 1 504 . 1 . 1 46 46 TYR HE2 H 1 6.768 0.000 . 1 . . . . . 46 TYR HE2 . 52557 1 505 . 1 . 1 46 46 TYR C C 13 176.492 0.000 . 1 . . . . . 46 TYR C . 52557 1 506 . 1 . 1 46 46 TYR CA C 13 56.921 0.076 . 1 . . . . . 46 TYR CA . 52557 1 507 . 1 . 1 46 46 TYR CB C 13 41.781 0.022 . 1 . . . . . 46 TYR CB . 52557 1 508 . 1 . 1 46 46 TYR CD1 C 13 133.725 0.000 . 1 . . . . . 46 TYR CD1 . 52557 1 509 . 1 . 1 46 46 TYR CD2 C 13 133.725 0.000 . 1 . . . . . 46 TYR CD2 . 52557 1 510 . 1 . 1 46 46 TYR CE1 C 13 118.073 0.000 . 1 . . . . . 46 TYR CE1 . 52557 1 511 . 1 . 1 46 46 TYR CE2 C 13 118.073 0.000 . 1 . . . . . 46 TYR CE2 . 52557 1 512 . 1 . 1 46 46 TYR N N 15 123.580 0.012 . 1 . . . . . 46 TYR N . 52557 1 513 . 1 . 1 47 47 TRP H H 1 9.007 0.004 . 1 . . . . . 47 TRP H . 52557 1 514 . 1 . 1 47 47 TRP HA H 1 4.278 0.005 . 1 . . . . . 47 TRP HA . 52557 1 515 . 1 . 1 47 47 TRP HB2 H 1 2.908 0.002 . 2 . . . . . 47 TRP HB2 . 52557 1 516 . 1 . 1 47 47 TRP HB3 H 1 3.292 0.006 . 2 . . . . . 47 TRP HB3 . 52557 1 517 . 1 . 1 47 47 TRP HD1 H 1 6.658 0.011 . 1 . . . . . 47 TRP HD1 . 52557 1 518 . 1 . 1 47 47 TRP HE1 H 1 9.704 0.013 . 1 . . . . . 47 TRP HE1 . 52557 1 519 . 1 . 1 47 47 TRP HZ2 H 1 7.214 0.010 . 1 . . . . . 47 TRP HZ2 . 52557 1 520 . 1 . 1 47 47 TRP HZ3 H 1 6.190 0.000 . 1 . . . . . 47 TRP HZ3 . 52557 1 521 . 1 . 1 47 47 TRP HH2 H 1 6.804 0.002 . 1 . . . . . 47 TRP HH2 . 52557 1 522 . 1 . 1 47 47 TRP C C 13 174.996 0.000 . 1 . . . . . 47 TRP C . 52557 1 523 . 1 . 1 47 47 TRP CA C 13 59.909 0.040 . 1 . . . . . 47 TRP CA . 52557 1 524 . 1 . 1 47 47 TRP CB C 13 28.351 0.024 . 1 . . . . . 47 TRP CB . 52557 1 525 . 1 . 1 47 47 TRP CD1 C 13 124.631 0.000 . 1 . . . . . 47 TRP CD1 . 52557 1 526 . 1 . 1 47 47 TRP CZ2 C 13 114.021 0.000 . 1 . . . . . 47 TRP CZ2 . 52557 1 527 . 1 . 1 47 47 TRP CZ3 C 13 121.540 0.000 . 1 . . . . . 47 TRP CZ3 . 52557 1 528 . 1 . 1 47 47 TRP CH2 C 13 123.979 0.000 . 1 . . . . . 47 TRP CH2 . 52557 1 529 . 1 . 1 47 47 TRP N N 15 128.159 0.014 . 1 . . . . . 47 TRP N . 52557 1 530 . 1 . 1 47 47 TRP NE1 N 15 129.758 0.013 . 1 . . . . . 47 TRP NE1 . 52557 1 531 . 1 . 1 48 48 ILE H H 1 7.542 0.004 . 1 . . . . . 48 ILE H . 52557 1 532 . 1 . 1 48 48 ILE HA H 1 4.320 0.023 . 1 . . . . . 48 ILE HA . 52557 1 533 . 1 . 1 48 48 ILE HB H 1 1.842 0.004 . 1 . . . . . 48 ILE HB . 52557 1 534 . 1 . 1 48 48 ILE HG12 H 1 1.180 0.002 . 2 . . . . . 48 ILE HG12 . 52557 1 535 . 1 . 1 48 48 ILE HG13 H 1 1.346 0.002 . 2 . . . . . 48 ILE HG13 . 52557 1 536 . 1 . 1 48 48 ILE HG21 H 1 0.935 0.020 . 1 . . . . . 48 ILE HG21 . 52557 1 537 . 1 . 1 48 48 ILE HG22 H 1 0.935 0.020 . 1 . . . . . 48 ILE HG22 . 52557 1 538 . 1 . 1 48 48 ILE HG23 H 1 0.935 0.020 . 1 . . . . . 48 ILE HG23 . 52557 1 539 . 1 . 1 48 48 ILE HD11 H 1 0.959 0.008 . 1 . . . . . 48 ILE HD11 . 52557 1 540 . 1 . 1 48 48 ILE HD12 H 1 0.959 0.008 . 1 . . . . . 48 ILE HD12 . 52557 1 541 . 1 . 1 48 48 ILE HD13 H 1 0.959 0.008 . 1 . . . . . 48 ILE HD13 . 52557 1 542 . 1 . 1 48 48 ILE C C 13 174.583 0.000 . 1 . . . . . 48 ILE C . 52557 1 543 . 1 . 1 48 48 ILE CA C 13 60.216 0.141 . 1 . . . . . 48 ILE CA . 52557 1 544 . 1 . 1 48 48 ILE CB C 13 40.166 0.065 . 1 . . . . . 48 ILE CB . 52557 1 545 . 1 . 1 48 48 ILE CG1 C 13 26.555 0.001 . 1 . . . . . 48 ILE CG1 . 52557 1 546 . 1 . 1 48 48 ILE CG2 C 13 18.499 0.000 . 1 . . . . . 48 ILE CG2 . 52557 1 547 . 1 . 1 48 48 ILE CD1 C 13 13.315 0.000 . 1 . . . . . 48 ILE CD1 . 52557 1 548 . 1 . 1 48 48 ILE N N 15 118.902 0.022 . 1 . . . . . 48 ILE N . 52557 1 549 . 1 . 1 49 49 SER H H 1 6.913 0.003 . 1 . . . . . 49 SER H . 52557 1 550 . 1 . 1 49 49 SER HA H 1 4.805 0.005 . 1 . . . . . 49 SER HA . 52557 1 551 . 1 . 1 49 49 SER HB2 H 1 3.559 0.002 . 2 . . . . . 49 SER HB2 . 52557 1 552 . 1 . 1 49 49 SER HB3 H 1 3.797 0.003 . 2 . . . . . 49 SER HB3 . 52557 1 553 . 1 . 1 49 49 SER C C 13 174.267 0.000 . 1 . . . . . 49 SER C . 52557 1 554 . 1 . 1 49 49 SER CA C 13 57.428 0.019 . 1 . . . . . 49 SER CA . 52557 1 555 . 1 . 1 49 49 SER CB C 13 65.855 0.015 . 1 . . . . . 49 SER CB . 52557 1 556 . 1 . 1 49 49 SER N N 15 110.464 0.028 . 1 . . . . . 49 SER N . 52557 1 557 . 1 . 1 50 50 ALA H H 1 8.934 0.004 . 1 . . . . . 50 ALA H . 52557 1 558 . 1 . 1 50 50 ALA HA H 1 5.789 0.003 . 1 . . . . . 50 ALA HA . 52557 1 559 . 1 . 1 50 50 ALA HB1 H 1 1.959 0.001 . 1 . . . . . 50 ALA HB1 . 52557 1 560 . 1 . 1 50 50 ALA HB2 H 1 1.959 0.001 . 1 . . . . . 50 ALA HB2 . 52557 1 561 . 1 . 1 50 50 ALA HB3 H 1 1.959 0.001 . 1 . . . . . 50 ALA HB3 . 52557 1 562 . 1 . 1 50 50 ALA C C 13 172.247 0.000 . 1 . . . . . 50 ALA C . 52557 1 563 . 1 . 1 50 50 ALA CA C 13 51.401 0.094 . 1 . . . . . 50 ALA CA . 52557 1 564 . 1 . 1 50 50 ALA CB C 13 26.108 0.019 . 1 . . . . . 50 ALA CB . 52557 1 565 . 1 . 1 50 50 ALA N N 15 125.398 0.016 . 1 . . . . . 50 ALA N . 52557 1 566 . 1 . 1 51 51 ILE H H 1 9.237 0.003 . 1 . . . . . 51 ILE H . 52557 1 567 . 1 . 1 51 51 ILE HA H 1 5.045 0.003 . 1 . . . . . 51 ILE HA . 52557 1 568 . 1 . 1 51 51 ILE HB H 1 1.736 0.009 . 1 . . . . . 51 ILE HB . 52557 1 569 . 1 . 1 51 51 ILE HG12 H 1 1.735 0.008 . 2 . . . . . 51 ILE HG12 . 52557 1 570 . 1 . 1 51 51 ILE HG13 H 1 1.498 0.001 . 2 . . . . . 51 ILE HG13 . 52557 1 571 . 1 . 1 51 51 ILE HG21 H 1 0.922 0.002 . 1 . . . . . 51 ILE HG21 . 52557 1 572 . 1 . 1 51 51 ILE HG22 H 1 0.922 0.002 . 1 . . . . . 51 ILE HG22 . 52557 1 573 . 1 . 1 51 51 ILE HG23 H 1 0.922 0.002 . 1 . . . . . 51 ILE HG23 . 52557 1 574 . 1 . 1 51 51 ILE C C 13 175.105 0.000 . 1 . . . . . 51 ILE C . 52557 1 575 . 1 . 1 51 51 ILE CA C 13 59.082 0.048 . 1 . . . . . 51 ILE CA . 52557 1 576 . 1 . 1 51 51 ILE CB C 13 41.824 0.063 . 1 . . . . . 51 ILE CB . 52557 1 577 . 1 . 1 51 51 ILE CG1 C 13 31.982 3.284 . 1 . . . . . 51 ILE CG1 . 52557 1 578 . 1 . 1 51 51 ILE CG2 C 13 14.780 0.000 . 1 . . . . . 51 ILE CG2 . 52557 1 579 . 1 . 1 51 51 ILE N N 15 116.899 0.031 . 1 . . . . . 51 ILE N . 52557 1 580 . 1 . 1 52 52 ASN H H 1 8.015 0.003 . 1 . . . . . 52 ASN H . 52557 1 581 . 1 . 1 52 52 ASN HA H 1 2.598 0.000 . 1 . . . . . 52 ASN HA . 52557 1 582 . 1 . 1 52 52 ASN HB2 H 1 1.488 0.000 . 2 . . . . . 52 ASN HB2 . 52557 1 583 . 1 . 1 52 52 ASN HB3 H 1 2.110 0.001 . 2 . . . . . 52 ASN HB3 . 52557 1 584 . 1 . 1 52 52 ASN HD21 H 1 7.179 0.000 . 1 . . . . . 52 ASN HD21 . 52557 1 585 . 1 . 1 52 52 ASN HD22 H 1 7.522 0.010 . 1 . . . . . 52 ASN HD22 . 52557 1 586 . 1 . 1 52 52 ASN C C 13 171.563 0.000 . 1 . . . . . 52 ASN C . 52557 1 587 . 1 . 1 52 52 ASN CA C 13 52.188 0.012 . 1 . . . . . 52 ASN CA . 52557 1 588 . 1 . 1 52 52 ASN CB C 13 36.257 0.002 . 1 . . . . . 52 ASN CB . 52557 1 589 . 1 . 1 52 52 ASN N N 15 129.700 0.045 . 1 . . . . . 52 ASN N . 52557 1 590 . 1 . 1 52 52 ASN ND2 N 15 115.214 0.012 . 1 . . . . . 52 ASN ND2 . 52557 1 591 . 1 . 1 53 53 PRO HA H 1 3.391 0.000 . 1 . . . . . 53 PRO HA . 52557 1 592 . 1 . 1 53 53 PRO HB2 H 1 2.402 0.010 . 2 . . . . . 53 PRO HB2 . 52557 1 593 . 1 . 1 53 53 PRO HB3 H 1 1.675 0.022 . 2 . . . . . 53 PRO HB3 . 52557 1 594 . 1 . 1 53 53 PRO CA C 13 67.282 0.032 . 1 . . . . . 53 PRO CA . 52557 1 595 . 1 . 1 53 53 PRO CB C 13 31.461 0.005 . 1 . . . . . 53 PRO CB . 52557 1 596 . 1 . 1 54 54 ASP H H 1 6.840 0.003 . 1 . . . . . 54 ASP H . 52557 1 597 . 1 . 1 54 54 ASP HA H 1 4.388 0.003 . 1 . . . . . 54 ASP HA . 52557 1 598 . 1 . 1 54 54 ASP HB2 H 1 2.512 0.005 . 2 . . . . . 54 ASP HB2 . 52557 1 599 . 1 . 1 54 54 ASP HB3 H 1 2.943 0.004 . 2 . . . . . 54 ASP HB3 . 52557 1 600 . 1 . 1 54 54 ASP C C 13 175.137 0.000 . 1 . . . . . 54 ASP C . 52557 1 601 . 1 . 1 54 54 ASP CA C 13 53.607 0.001 . 1 . . . . . 54 ASP CA . 52557 1 602 . 1 . 1 54 54 ASP CB C 13 40.557 0.024 . 1 . . . . . 54 ASP CB . 52557 1 603 . 1 . 1 54 54 ASP N N 15 107.878 0.023 . 1 . . . . . 54 ASP N . 52557 1 604 . 1 . 1 55 55 GLY H H 1 7.514 0.003 . 1 . . . . . 55 GLY H . 52557 1 605 . 1 . 1 55 55 GLY HA2 H 1 3.393 0.005 . 2 . . . . . 55 GLY HA2 . 52557 1 606 . 1 . 1 55 55 GLY HA3 H 1 4.192 0.002 . 2 . . . . . 55 GLY HA3 . 52557 1 607 . 1 . 1 55 55 GLY C C 13 177.581 0.000 . 1 . . . . . 55 GLY C . 52557 1 608 . 1 . 1 55 55 GLY CA C 13 44.966 0.018 . 1 . . . . . 55 GLY CA . 52557 1 609 . 1 . 1 55 55 GLY N N 15 109.525 0.019 . 1 . . . . . 55 GLY N . 52557 1 610 . 1 . 1 56 56 GLY H H 1 8.759 0.003 . 1 . . . . . 56 GLY H . 52557 1 611 . 1 . 1 56 56 GLY HA2 H 1 3.786 0.006 . 2 . . . . . 56 GLY HA2 . 52557 1 612 . 1 . 1 56 56 GLY HA3 H 1 4.085 0.014 . 2 . . . . . 56 GLY HA3 . 52557 1 613 . 1 . 1 56 56 GLY C C 13 173.668 0.000 . 1 . . . . . 56 GLY C . 52557 1 614 . 1 . 1 56 56 GLY CA C 13 45.819 0.076 . 1 . . . . . 56 GLY CA . 52557 1 615 . 1 . 1 56 56 GLY N N 15 109.767 0.029 . 1 . . . . . 56 GLY N . 52557 1 616 . 1 . 1 57 57 ASN H H 1 8.077 0.004 . 1 . . . . . 57 ASN H . 52557 1 617 . 1 . 1 57 57 ASN HA H 1 5.188 0.001 . 1 . . . . . 57 ASN HA . 52557 1 618 . 1 . 1 57 57 ASN HB2 H 1 2.447 0.002 . 2 . . . . . 57 ASN HB2 . 52557 1 619 . 1 . 1 57 57 ASN HB3 H 1 2.581 0.011 . 2 . . . . . 57 ASN HB3 . 52557 1 620 . 1 . 1 57 57 ASN HD21 H 1 7.084 0.022 . 1 . . . . . 57 ASN HD21 . 52557 1 621 . 1 . 1 57 57 ASN HD22 H 1 7.508 0.004 . 1 . . . . . 57 ASN HD22 . 52557 1 622 . 1 . 1 57 57 ASN C C 13 173.667 0.000 . 1 . . . . . 57 ASN C . 52557 1 623 . 1 . 1 57 57 ASN CA C 13 52.479 0.015 . 1 . . . . . 57 ASN CA . 52557 1 624 . 1 . 1 57 57 ASN CB C 13 40.841 0.070 . 1 . . . . . 57 ASN CB . 52557 1 625 . 1 . 1 57 57 ASN N N 15 118.733 0.026 . 1 . . . . . 57 ASN N . 52557 1 626 . 1 . 1 57 57 ASN ND2 N 15 115.285 0.000 . 1 . . . . . 57 ASN ND2 . 52557 1 627 . 1 . 1 58 58 THR H H 1 8.130 0.003 . 1 . . . . . 58 THR H . 52557 1 628 . 1 . 1 58 58 THR HA H 1 5.190 0.002 . 1 . . . . . 58 THR HA . 52557 1 629 . 1 . 1 58 58 THR HB H 1 3.993 0.003 . 1 . . . . . 58 THR HB . 52557 1 630 . 1 . 1 58 58 THR HG21 H 1 1.197 0.006 . 1 . . . . . 58 THR HG21 . 52557 1 631 . 1 . 1 58 58 THR HG22 H 1 1.197 0.006 . 1 . . . . . 58 THR HG22 . 52557 1 632 . 1 . 1 58 58 THR HG23 H 1 1.197 0.006 . 1 . . . . . 58 THR HG23 . 52557 1 633 . 1 . 1 58 58 THR C C 13 173.210 0.000 . 1 . . . . . 58 THR C . 52557 1 634 . 1 . 1 58 58 THR CA C 13 58.667 0.136 . 1 . . . . . 58 THR CA . 52557 1 635 . 1 . 1 58 58 THR CB C 13 72.902 0.044 . 1 . . . . . 58 THR CB . 52557 1 636 . 1 . 1 58 58 THR CG2 C 13 22.960 0.000 . 1 . . . . . 58 THR CG2 . 52557 1 637 . 1 . 1 58 58 THR N N 15 112.463 0.029 . 1 . . . . . 58 THR N . 52557 1 638 . 1 . 1 59 59 ALA H H 1 8.464 0.005 . 1 . . . . . 59 ALA H . 52557 1 639 . 1 . 1 59 59 ALA HA H 1 4.942 0.003 . 1 . . . . . 59 ALA HA . 52557 1 640 . 1 . 1 59 59 ALA HB1 H 1 1.681 0.009 . 1 . . . . . 59 ALA HB1 . 52557 1 641 . 1 . 1 59 59 ALA HB2 H 1 1.681 0.009 . 1 . . . . . 59 ALA HB2 . 52557 1 642 . 1 . 1 59 59 ALA HB3 H 1 1.681 0.009 . 1 . . . . . 59 ALA HB3 . 52557 1 643 . 1 . 1 59 59 ALA C C 13 173.433 0.000 . 1 . . . . . 59 ALA C . 52557 1 644 . 1 . 1 59 59 ALA CA C 13 51.387 0.081 . 1 . . . . . 59 ALA CA . 52557 1 645 . 1 . 1 59 59 ALA CB C 13 23.086 0.023 . 1 . . . . . 59 ALA CB . 52557 1 646 . 1 . 1 59 59 ALA N N 15 122.580 0.027 . 1 . . . . . 59 ALA N . 52557 1 647 . 1 . 1 60 60 TYR H H 1 8.863 0.005 . 1 . . . . . 60 TYR H . 52557 1 648 . 1 . 1 60 60 TYR HA H 1 4.950 0.004 . 1 . . . . . 60 TYR HA . 52557 1 649 . 1 . 1 60 60 TYR HB2 H 1 2.483 0.002 . 2 . . . . . 60 TYR HB2 . 52557 1 650 . 1 . 1 60 60 TYR HB3 H 1 3.064 0.004 . 2 . . . . . 60 TYR HB3 . 52557 1 651 . 1 . 1 60 60 TYR HD1 H 1 7.085 0.013 . 1 . . . . . 60 TYR HD1 . 52557 1 652 . 1 . 1 60 60 TYR HD2 H 1 7.085 0.013 . 1 . . . . . 60 TYR HD2 . 52557 1 653 . 1 . 1 60 60 TYR HE1 H 1 6.795 0.014 . 1 . . . . . 60 TYR HE1 . 52557 1 654 . 1 . 1 60 60 TYR HE2 H 1 6.795 0.014 . 1 . . . . . 60 TYR HE2 . 52557 1 655 . 1 . 1 60 60 TYR C C 13 175.429 0.000 . 1 . . . . . 60 TYR C . 52557 1 656 . 1 . 1 60 60 TYR CA C 13 57.324 0.003 . 1 . . . . . 60 TYR CA . 52557 1 657 . 1 . 1 60 60 TYR CB C 13 43.665 0.031 . 1 . . . . . 60 TYR CB . 52557 1 658 . 1 . 1 60 60 TYR CD1 C 13 132.324 0.000 . 1 . . . . . 60 TYR CD1 . 52557 1 659 . 1 . 1 60 60 TYR CD2 C 13 132.324 0.000 . 1 . . . . . 60 TYR CD2 . 52557 1 660 . 1 . 1 60 60 TYR CE1 C 13 117.788 0.000 . 1 . . . . . 60 TYR CE1 . 52557 1 661 . 1 . 1 60 60 TYR CE2 C 13 117.788 0.000 . 1 . . . . . 60 TYR CE2 . 52557 1 662 . 1 . 1 60 60 TYR N N 15 116.785 0.031 . 1 . . . . . 60 TYR N . 52557 1 663 . 1 . 1 61 61 ALA H H 1 8.036 0.003 . 1 . . . . . 61 ALA H . 52557 1 664 . 1 . 1 61 61 ALA HA H 1 4.650 0.001 . 1 . . . . . 61 ALA HA . 52557 1 665 . 1 . 1 61 61 ALA HB1 H 1 1.699 0.000 . 1 . . . . . 61 ALA HB1 . 52557 1 666 . 1 . 1 61 61 ALA HB2 H 1 1.699 0.000 . 1 . . . . . 61 ALA HB2 . 52557 1 667 . 1 . 1 61 61 ALA HB3 H 1 1.699 0.000 . 1 . . . . . 61 ALA HB3 . 52557 1 668 . 1 . 1 61 61 ALA C C 13 175.727 0.000 . 1 . . . . . 61 ALA C . 52557 1 669 . 1 . 1 61 61 ALA CA C 13 52.073 0.040 . 1 . . . . . 61 ALA CA . 52557 1 670 . 1 . 1 61 61 ALA CB C 13 19.500 0.011 . 1 . . . . . 61 ALA CB . 52557 1 671 . 1 . 1 61 61 ALA N N 15 125.918 0.018 . 1 . . . . . 61 ALA N . 52557 1 672 . 1 . 1 62 62 ASP H H 1 9.157 0.006 . 1 . . . . . 62 ASP H . 52557 1 673 . 1 . 1 62 62 ASP HA H 1 4.337 0.001 . 1 . . . . . 62 ASP HA . 52557 1 674 . 1 . 1 62 62 ASP HB2 H 1 2.757 0.002 . 1 . . . . . 62 ASP HB2 . 52557 1 675 . 1 . 1 62 62 ASP HB3 H 1 2.757 0.002 . 1 . . . . . 62 ASP HB3 . 52557 1 676 . 1 . 1 62 62 ASP C C 13 179.004 0.000 . 1 . . . . . 62 ASP C . 52557 1 677 . 1 . 1 62 62 ASP CA C 13 58.075 0.066 . 1 . . . . . 62 ASP CA . 52557 1 678 . 1 . 1 62 62 ASP CB C 13 40.417 0.010 . 1 . . . . . 62 ASP CB . 52557 1 679 . 1 . 1 62 62 ASP N N 15 122.993 0.020 . 1 . . . . . 62 ASP N . 52557 1 680 . 1 . 1 63 63 SER H H 1 8.162 0.003 . 1 . . . . . 63 SER H . 52557 1 681 . 1 . 1 63 63 SER HA H 1 4.208 0.000 . 1 . . . . . 63 SER HA . 52557 1 682 . 1 . 1 63 63 SER HB2 H 1 3.876 0.000 . 2 . . . . . 63 SER HB2 . 52557 1 683 . 1 . 1 63 63 SER HB3 H 1 3.808 0.000 . 2 . . . . . 63 SER HB3 . 52557 1 684 . 1 . 1 63 63 SER C C 13 178.167 0.000 . 1 . . . . . 63 SER C . 52557 1 685 . 1 . 1 63 63 SER CA C 13 60.076 0.022 . 1 . . . . . 63 SER CA . 52557 1 686 . 1 . 1 63 63 SER CB C 13 62.833 0.036 . 1 . . . . . 63 SER CB . 52557 1 687 . 1 . 1 63 63 SER N N 15 110.422 0.034 . 1 . . . . . 63 SER N . 52557 1 688 . 1 . 1 64 64 VAL H H 1 7.310 0.005 . 1 . . . . . 64 VAL H . 52557 1 689 . 1 . 1 64 64 VAL HA H 1 4.120 0.004 . 1 . . . . . 64 VAL HA . 52557 1 690 . 1 . 1 64 64 VAL HB H 1 1.108 0.002 . 1 . . . . . 64 VAL HB . 52557 1 691 . 1 . 1 64 64 VAL HG11 H 1 0.908 0.004 . 2 . . . . . 64 VAL HG11 . 52557 1 692 . 1 . 1 64 64 VAL HG12 H 1 0.908 0.004 . 2 . . . . . 64 VAL HG12 . 52557 1 693 . 1 . 1 64 64 VAL HG13 H 1 0.908 0.004 . 2 . . . . . 64 VAL HG13 . 52557 1 694 . 1 . 1 64 64 VAL HG21 H 1 0.269 0.004 . 2 . . . . . 64 VAL HG21 . 52557 1 695 . 1 . 1 64 64 VAL HG22 H 1 0.269 0.004 . 2 . . . . . 64 VAL HG22 . 52557 1 696 . 1 . 1 64 64 VAL HG23 H 1 0.269 0.004 . 2 . . . . . 64 VAL HG23 . 52557 1 697 . 1 . 1 64 64 VAL C C 13 175.497 0.000 . 1 . . . . . 64 VAL C . 52557 1 698 . 1 . 1 64 64 VAL CA C 13 60.264 0.131 . 1 . . . . . 64 VAL CA . 52557 1 699 . 1 . 1 64 64 VAL CB C 13 31.569 0.024 . 1 . . . . . 64 VAL CB . 52557 1 700 . 1 . 1 64 64 VAL CG1 C 13 19.557 0.000 . 2 . . . . . 64 VAL CG1 . 52557 1 701 . 1 . 1 64 64 VAL CG2 C 13 20.887 0.000 . 2 . . . . . 64 VAL CG2 . 52557 1 702 . 1 . 1 64 64 VAL N N 15 111.186 0.022 . 1 . . . . . 64 VAL N . 52557 1 703 . 1 . 1 65 65 LYS H H 1 7.328 0.002 . 1 . . . . . 65 LYS H . 52557 1 704 . 1 . 1 65 65 LYS HA H 1 3.646 0.009 . 1 . . . . . 65 LYS HA . 52557 1 705 . 1 . 1 65 65 LYS HB2 H 1 1.844 0.004 . 1 . . . . . 65 LYS HB2 . 52557 1 706 . 1 . 1 65 65 LYS HB3 H 1 1.844 0.004 . 1 . . . . . 65 LYS HB3 . 52557 1 707 . 1 . 1 65 65 LYS HG2 H 1 1.431 0.008 . 1 . . . . . 65 LYS HG2 . 52557 1 708 . 1 . 1 65 65 LYS HG3 H 1 1.431 0.008 . 1 . . . . . 65 LYS HG3 . 52557 1 709 . 1 . 1 65 65 LYS HD2 H 1 1.814 0.002 . 1 . . . . . 65 LYS HD2 . 52557 1 710 . 1 . 1 65 65 LYS HD3 H 1 1.814 0.002 . 1 . . . . . 65 LYS HD3 . 52557 1 711 . 1 . 1 65 65 LYS HE2 H 1 3.089 0.012 . 1 . . . . . 65 LYS HE2 . 52557 1 712 . 1 . 1 65 65 LYS HE3 H 1 3.089 0.012 . 1 . . . . . 65 LYS HE3 . 52557 1 713 . 1 . 1 65 65 LYS C C 13 175.046 0.000 . 1 . . . . . 65 LYS C . 52557 1 714 . 1 . 1 65 65 LYS CA C 13 58.343 0.090 . 1 . . . . . 65 LYS CA . 52557 1 715 . 1 . 1 65 65 LYS CB C 13 32.499 0.040 . 1 . . . . . 65 LYS CB . 52557 1 716 . 1 . 1 65 65 LYS CG C 13 25.009 0.000 . 1 . . . . . 65 LYS CG . 52557 1 717 . 1 . 1 65 65 LYS CD C 13 29.604 0.000 . 1 . . . . . 65 LYS CD . 52557 1 718 . 1 . 1 65 65 LYS CE C 13 42.283 0.000 . 1 . . . . . 65 LYS CE . 52557 1 719 . 1 . 1 65 65 LYS N N 15 125.637 0.030 . 1 . . . . . 65 LYS N . 52557 1 720 . 1 . 1 66 66 GLY H H 1 9.246 0.004 . 1 . . . . . 66 GLY H . 52557 1 721 . 1 . 1 66 66 GLY HA2 H 1 3.549 0.002 . 2 . . . . . 66 GLY HA2 . 52557 1 722 . 1 . 1 66 66 GLY HA3 H 1 4.278 0.003 . 2 . . . . . 66 GLY HA3 . 52557 1 723 . 1 . 1 66 66 GLY C C 13 177.337 0.000 . 1 . . . . . 66 GLY C . 52557 1 724 . 1 . 1 66 66 GLY CA C 13 45.321 0.058 . 1 . . . . . 66 GLY CA . 52557 1 725 . 1 . 1 66 66 GLY N N 15 116.724 0.105 . 1 . . . . . 66 GLY N . 52557 1 726 . 1 . 1 67 67 ARG H H 1 7.611 0.003 . 1 . . . . . 67 ARG H . 52557 1 727 . 1 . 1 67 67 ARG HA H 1 4.627 0.004 . 1 . . . . . 67 ARG HA . 52557 1 728 . 1 . 1 67 67 ARG HB2 H 1 2.253 0.005 . 2 . . . . . 67 ARG HB2 . 52557 1 729 . 1 . 1 67 67 ARG HB3 H 1 1.580 0.002 . 2 . . . . . 67 ARG HB3 . 52557 1 730 . 1 . 1 67 67 ARG HG2 H 1 1.437 0.007 . 1 . . . . . 67 ARG HG2 . 52557 1 731 . 1 . 1 67 67 ARG HG3 H 1 1.437 0.007 . 1 . . . . . 67 ARG HG3 . 52557 1 732 . 1 . 1 67 67 ARG C C 13 173.837 0.000 . 1 . . . . . 67 ARG C . 52557 1 733 . 1 . 1 67 67 ARG CA C 13 57.145 0.075 . 1 . . . . . 67 ARG CA . 52557 1 734 . 1 . 1 67 67 ARG CB C 13 30.850 0.010 . 1 . . . . . 67 ARG CB . 52557 1 735 . 1 . 1 67 67 ARG CG C 13 28.450 0.000 . 1 . . . . . 67 ARG CG . 52557 1 736 . 1 . 1 67 67 ARG N N 15 116.873 0.028 . 1 . . . . . 67 ARG N . 52557 1 737 . 1 . 1 68 68 PHE H H 1 7.511 0.004 . 1 . . . . . 68 PHE H . 52557 1 738 . 1 . 1 68 68 PHE HA H 1 6.060 0.005 . 1 . . . . . 68 PHE HA . 52557 1 739 . 1 . 1 68 68 PHE HB2 H 1 2.933 0.003 . 1 . . . . . 68 PHE HB2 . 52557 1 740 . 1 . 1 68 68 PHE HB3 H 1 2.933 0.003 . 1 . . . . . 68 PHE HB3 . 52557 1 741 . 1 . 1 68 68 PHE HD1 H 1 7.018 0.010 . 1 . . . . . 68 PHE HD1 . 52557 1 742 . 1 . 1 68 68 PHE HD2 H 1 7.018 0.010 . 1 . . . . . 68 PHE HD2 . 52557 1 743 . 1 . 1 68 68 PHE HE1 H 1 7.250 0.002 . 1 . . . . . 68 PHE HE1 . 52557 1 744 . 1 . 1 68 68 PHE HE2 H 1 7.250 0.002 . 1 . . . . . 68 PHE HE2 . 52557 1 745 . 1 . 1 68 68 PHE C C 13 175.652 0.000 . 1 . . . . . 68 PHE C . 52557 1 746 . 1 . 1 68 68 PHE CA C 13 52.561 0.004 . 1 . . . . . 68 PHE CA . 52557 1 747 . 1 . 1 68 68 PHE CB C 13 39.263 0.039 . 1 . . . . . 68 PHE CB . 52557 1 748 . 1 . 1 68 68 PHE CD1 C 13 129.149 0.000 . 1 . . . . . 68 PHE CD1 . 52557 1 749 . 1 . 1 68 68 PHE CD2 C 13 129.149 0.000 . 1 . . . . . 68 PHE CD2 . 52557 1 750 . 1 . 1 68 68 PHE CE1 C 13 131.489 0.000 . 1 . . . . . 68 PHE CE1 . 52557 1 751 . 1 . 1 68 68 PHE CE2 C 13 131.489 0.000 . 1 . . . . . 68 PHE CE2 . 52557 1 752 . 1 . 1 68 68 PHE N N 15 120.056 0.055 . 1 . . . . . 68 PHE N . 52557 1 753 . 1 . 1 69 69 THR H H 1 9.069 0.003 . 1 . . . . . 69 THR H . 52557 1 754 . 1 . 1 69 69 THR HA H 1 5.169 0.003 . 1 . . . . . 69 THR HA . 52557 1 755 . 1 . 1 69 69 THR HB H 1 3.870 0.002 . 1 . . . . . 69 THR HB . 52557 1 756 . 1 . 1 69 69 THR HG21 H 1 1.202 0.008 . 1 . . . . . 69 THR HG21 . 52557 1 757 . 1 . 1 69 69 THR HG22 H 1 1.202 0.008 . 1 . . . . . 69 THR HG22 . 52557 1 758 . 1 . 1 69 69 THR HG23 H 1 1.202 0.008 . 1 . . . . . 69 THR HG23 . 52557 1 759 . 1 . 1 69 69 THR C C 13 174.592 0.000 . 1 . . . . . 69 THR C . 52557 1 760 . 1 . 1 69 69 THR CA C 13 61.342 0.053 . 1 . . . . . 69 THR CA . 52557 1 761 . 1 . 1 69 69 THR CB C 13 71.725 0.014 . 1 . . . . . 69 THR CB . 52557 1 762 . 1 . 1 69 69 THR CG2 C 13 21.293 0.000 . 1 . . . . . 69 THR CG2 . 52557 1 763 . 1 . 1 69 69 THR N N 15 113.557 0.048 . 1 . . . . . 69 THR N . 52557 1 764 . 1 . 1 70 70 ILE H H 1 9.521 0.003 . 1 . . . . . 70 ILE H . 52557 1 765 . 1 . 1 70 70 ILE HA H 1 5.504 0.007 . 1 . . . . . 70 ILE HA . 52557 1 766 . 1 . 1 70 70 ILE HB H 1 1.940 0.020 . 1 . . . . . 70 ILE HB . 52557 1 767 . 1 . 1 70 70 ILE HG21 H 1 1.076 0.009 . 1 . . . . . 70 ILE HG21 . 52557 1 768 . 1 . 1 70 70 ILE HG22 H 1 1.076 0.009 . 1 . . . . . 70 ILE HG22 . 52557 1 769 . 1 . 1 70 70 ILE HG23 H 1 1.076 0.009 . 1 . . . . . 70 ILE HG23 . 52557 1 770 . 1 . 1 70 70 ILE HD11 H 1 0.925 0.007 . 1 . . . . . 70 ILE HD11 . 52557 1 771 . 1 . 1 70 70 ILE HD12 H 1 0.925 0.007 . 1 . . . . . 70 ILE HD12 . 52557 1 772 . 1 . 1 70 70 ILE HD13 H 1 0.925 0.007 . 1 . . . . . 70 ILE HD13 . 52557 1 773 . 1 . 1 70 70 ILE C C 13 174.574 0.000 . 1 . . . . . 70 ILE C . 52557 1 774 . 1 . 1 70 70 ILE CA C 13 59.020 0.040 . 1 . . . . . 70 ILE CA . 52557 1 775 . 1 . 1 70 70 ILE CB C 13 41.264 0.018 . 1 . . . . . 70 ILE CB . 52557 1 776 . 1 . 1 70 70 ILE CG2 C 13 15.444 0.000 . 1 . . . . . 70 ILE CG2 . 52557 1 777 . 1 . 1 70 70 ILE CD1 C 13 15.085 0.000 . 1 . . . . . 70 ILE CD1 . 52557 1 778 . 1 . 1 70 70 ILE N N 15 134.003 0.041 . 1 . . . . . 70 ILE N . 52557 1 779 . 1 . 1 71 71 SER H H 1 8.541 0.003 . 1 . . . . . 71 SER H . 52557 1 780 . 1 . 1 71 71 SER HA H 1 4.596 0.022 . 1 . . . . . 71 SER HA . 52557 1 781 . 1 . 1 71 71 SER HB2 H 1 3.961 0.011 . 2 . . . . . 71 SER HB2 . 52557 1 782 . 1 . 1 71 71 SER HB3 H 1 4.064 0.002 . 2 . . . . . 71 SER HB3 . 52557 1 783 . 1 . 1 71 71 SER C C 13 171.614 0.000 . 1 . . . . . 71 SER C . 52557 1 784 . 1 . 1 71 71 SER CA C 13 58.208 0.001 . 1 . . . . . 71 SER CA . 52557 1 785 . 1 . 1 71 71 SER CB C 13 65.481 0.040 . 1 . . . . . 71 SER CB . 52557 1 786 . 1 . 1 71 71 SER N N 15 117.930 0.024 . 1 . . . . . 71 SER N . 52557 1 787 . 1 . 1 72 72 ARG H H 1 9.472 0.004 . 1 . . . . . 72 ARG H . 52557 1 788 . 1 . 1 72 72 ARG HA H 1 5.518 0.002 . 1 . . . . . 72 ARG HA . 52557 1 789 . 1 . 1 72 72 ARG HB2 H 1 2.401 0.004 . 2 . . . . . 72 ARG HB2 . 52557 1 790 . 1 . 1 72 72 ARG HB3 H 1 1.471 0.014 . 2 . . . . . 72 ARG HB3 . 52557 1 791 . 1 . 1 72 72 ARG C C 13 172.215 0.000 . 1 . . . . . 72 ARG C . 52557 1 792 . 1 . 1 72 72 ARG CA C 13 54.565 0.070 . 1 . . . . . 72 ARG CA . 52557 1 793 . 1 . 1 72 72 ARG CB C 13 35.571 0.035 . 1 . . . . . 72 ARG CB . 52557 1 794 . 1 . 1 72 72 ARG N N 15 115.820 0.033 . 1 . . . . . 72 ARG N . 52557 1 795 . 1 . 1 73 73 ASP H H 1 9.084 0.003 . 1 . . . . . 73 ASP H . 52557 1 796 . 1 . 1 73 73 ASP HA H 1 5.033 0.002 . 1 . . . . . 73 ASP HA . 52557 1 797 . 1 . 1 73 73 ASP HB2 H 1 2.694 0.013 . 2 . . . . . 73 ASP HB2 . 52557 1 798 . 1 . 1 73 73 ASP HB3 H 1 2.884 0.000 . 2 . . . . . 73 ASP HB3 . 52557 1 799 . 1 . 1 73 73 ASP C C 13 172.898 0.000 . 1 . . . . . 73 ASP C . 52557 1 800 . 1 . 1 73 73 ASP CA C 13 52.428 0.054 . 1 . . . . . 73 ASP CA . 52557 1 801 . 1 . 1 73 73 ASP CB C 13 43.057 0.032 . 1 . . . . . 73 ASP CB . 52557 1 802 . 1 . 1 73 73 ASP N N 15 119.291 0.030 . 1 . . . . . 73 ASP N . 52557 1 803 . 1 . 1 74 74 ASN H H 1 9.552 0.003 . 1 . . . . . 74 ASN H . 52557 1 804 . 1 . 1 74 74 ASN HA H 1 5.011 0.011 . 1 . . . . . 74 ASN HA . 52557 1 805 . 1 . 1 74 74 ASN HB2 H 1 2.964 0.004 . 2 . . . . . 74 ASN HB2 . 52557 1 806 . 1 . 1 74 74 ASN HB3 H 1 3.139 0.004 . 2 . . . . . 74 ASN HB3 . 52557 1 807 . 1 . 1 74 74 ASN HD21 H 1 7.639 0.003 . 1 . . . . . 74 ASN HD21 . 52557 1 808 . 1 . 1 74 74 ASN HD22 H 1 7.483 0.003 . 1 . . . . . 74 ASN HD22 . 52557 1 809 . 1 . 1 74 74 ASN C C 13 177.274 0.000 . 1 . . . . . 74 ASN C . 52557 1 810 . 1 . 1 74 74 ASN CA C 13 54.997 0.145 . 1 . . . . . 74 ASN CA . 52557 1 811 . 1 . 1 74 74 ASN CB C 13 37.295 0.005 . 1 . . . . . 74 ASN CB . 52557 1 812 . 1 . 1 74 74 ASN N N 15 124.814 0.021 . 1 . . . . . 74 ASN N . 52557 1 813 . 1 . 1 74 74 ASN ND2 N 15 109.025 0.211 . 1 . . . . . 74 ASN ND2 . 52557 1 814 . 1 . 1 75 75 ALA H H 1 8.568 0.004 . 1 . . . . . 75 ALA H . 52557 1 815 . 1 . 1 75 75 ALA HA H 1 4.413 0.020 . 1 . . . . . 75 ALA HA . 52557 1 816 . 1 . 1 75 75 ALA HB1 H 1 1.540 0.008 . 1 . . . . . 75 ALA HB1 . 52557 1 817 . 1 . 1 75 75 ALA HB2 H 1 1.540 0.008 . 1 . . . . . 75 ALA HB2 . 52557 1 818 . 1 . 1 75 75 ALA HB3 H 1 1.540 0.008 . 1 . . . . . 75 ALA HB3 . 52557 1 819 . 1 . 1 75 75 ALA C C 13 176.337 0.000 . 1 . . . . . 75 ALA C . 52557 1 820 . 1 . 1 75 75 ALA CA C 13 53.932 0.031 . 1 . . . . . 75 ALA CA . 52557 1 821 . 1 . 1 75 75 ALA CB C 13 18.710 0.010 . 1 . . . . . 75 ALA CB . 52557 1 822 . 1 . 1 75 75 ALA N N 15 122.323 0.031 . 1 . . . . . 75 ALA N . 52557 1 823 . 1 . 1 76 76 LYS H H 1 7.171 0.004 . 1 . . . . . 76 LYS H . 52557 1 824 . 1 . 1 76 76 LYS HA H 1 4.320 0.003 . 1 . . . . . 76 LYS HA . 52557 1 825 . 1 . 1 76 76 LYS HB2 H 1 1.263 0.005 . 2 . . . . . 76 LYS HB2 . 52557 1 826 . 1 . 1 76 76 LYS HB3 H 1 1.974 0.002 . 2 . . . . . 76 LYS HB3 . 52557 1 827 . 1 . 1 76 76 LYS HG2 H 1 1.426 0.005 . 2 . . . . . 76 LYS HG2 . 52557 1 828 . 1 . 1 76 76 LYS HG3 H 1 1.265 0.005 . 2 . . . . . 76 LYS HG3 . 52557 1 829 . 1 . 1 76 76 LYS HD2 H 1 1.624 0.013 . 1 . . . . . 76 LYS HD2 . 52557 1 830 . 1 . 1 76 76 LYS HD3 H 1 1.624 0.013 . 1 . . . . . 76 LYS HD3 . 52557 1 831 . 1 . 1 76 76 LYS HE2 H 1 2.974 0.000 . 1 . . . . . 76 LYS HE2 . 52557 1 832 . 1 . 1 76 76 LYS HE3 H 1 2.974 0.000 . 1 . . . . . 76 LYS HE3 . 52557 1 833 . 1 . 1 76 76 LYS C C 13 179.162 0.000 . 1 . . . . . 76 LYS C . 52557 1 834 . 1 . 1 76 76 LYS CA C 13 55.057 0.119 . 1 . . . . . 76 LYS CA . 52557 1 835 . 1 . 1 76 76 LYS CB C 13 34.459 0.001 . 1 . . . . . 76 LYS CB . 52557 1 836 . 1 . 1 76 76 LYS CG C 13 25.430 0.000 . 1 . . . . . 76 LYS CG . 52557 1 837 . 1 . 1 76 76 LYS CD C 13 29.054 0.000 . 1 . . . . . 76 LYS CD . 52557 1 838 . 1 . 1 76 76 LYS CE C 13 42.077 0.000 . 1 . . . . . 76 LYS CE . 52557 1 839 . 1 . 1 76 76 LYS N N 15 115.009 0.064 . 1 . . . . . 76 LYS N . 52557 1 840 . 1 . 1 77 77 ASN H H 1 7.494 0.003 . 1 . . . . . 77 ASN H . 52557 1 841 . 1 . 1 77 77 ASN C C 13 174.682 0.000 . 1 . . . . . 77 ASN C . 52557 1 842 . 1 . 1 77 77 ASN CA C 13 53.457 0.000 . 1 . . . . . 77 ASN CA . 52557 1 843 . 1 . 1 77 77 ASN CB C 13 35.718 0.020 . 1 . . . . . 77 ASN CB . 52557 1 844 . 1 . 1 77 77 ASN N N 15 116.921 0.017 . 1 . . . . . 77 ASN N . 52557 1 845 . 1 . 1 78 78 MET H H 1 6.913 0.005 . 1 . . . . . 78 MET H . 52557 1 846 . 1 . 1 78 78 MET HA H 1 5.547 0.003 . 1 . . . . . 78 MET HA . 52557 1 847 . 1 . 1 78 78 MET HB2 H 1 1.468 0.002 . 2 . . . . . 78 MET HB2 . 52557 1 848 . 1 . 1 78 78 MET HB3 H 1 1.268 0.004 . 2 . . . . . 78 MET HB3 . 52557 1 849 . 1 . 1 78 78 MET HG2 H 1 2.511 0.018 . 2 . . . . . 78 MET HG2 . 52557 1 850 . 1 . 1 78 78 MET HG3 H 1 2.276 0.005 . 2 . . . . . 78 MET HG3 . 52557 1 851 . 1 . 1 78 78 MET HE1 H 1 1.957 0.000 . 1 . . . . . 78 MET HE1 . 52557 1 852 . 1 . 1 78 78 MET HE2 H 1 1.957 0.000 . 1 . . . . . 78 MET HE2 . 52557 1 853 . 1 . 1 78 78 MET HE3 H 1 1.957 0.000 . 1 . . . . . 78 MET HE3 . 52557 1 854 . 1 . 1 78 78 MET C C 13 172.016 0.000 . 1 . . . . . 78 MET C . 52557 1 855 . 1 . 1 78 78 MET CA C 13 52.417 0.010 . 1 . . . . . 78 MET CA . 52557 1 856 . 1 . 1 78 78 MET CB C 13 36.736 0.021 . 1 . . . . . 78 MET CB . 52557 1 857 . 1 . 1 78 78 MET CG C 13 31.483 0.000 . 1 . . . . . 78 MET CG . 52557 1 858 . 1 . 1 78 78 MET CE C 13 16.409 0.000 . 1 . . . . . 78 MET CE . 52557 1 859 . 1 . 1 78 78 MET N N 15 112.017 0.026 . 1 . . . . . 78 MET N . 52557 1 860 . 1 . 1 79 79 VAL H H 1 8.792 0.003 . 1 . . . . . 79 VAL H . 52557 1 861 . 1 . 1 79 79 VAL HA H 1 4.811 0.002 . 1 . . . . . 79 VAL HA . 52557 1 862 . 1 . 1 79 79 VAL HB H 1 1.963 0.007 . 1 . . . . . 79 VAL HB . 52557 1 863 . 1 . 1 79 79 VAL HG11 H 1 1.152 0.012 . 2 . . . . . 79 VAL HG11 . 52557 1 864 . 1 . 1 79 79 VAL HG12 H 1 1.152 0.012 . 2 . . . . . 79 VAL HG12 . 52557 1 865 . 1 . 1 79 79 VAL HG13 H 1 1.152 0.012 . 2 . . . . . 79 VAL HG13 . 52557 1 866 . 1 . 1 79 79 VAL HG21 H 1 1.208 0.005 . 2 . . . . . 79 VAL HG21 . 52557 1 867 . 1 . 1 79 79 VAL HG22 H 1 1.208 0.005 . 2 . . . . . 79 VAL HG22 . 52557 1 868 . 1 . 1 79 79 VAL HG23 H 1 1.208 0.005 . 2 . . . . . 79 VAL HG23 . 52557 1 869 . 1 . 1 79 79 VAL C C 13 175.999 0.000 . 1 . . . . . 79 VAL C . 52557 1 870 . 1 . 1 79 79 VAL CA C 13 59.704 0.048 . 1 . . . . . 79 VAL CA . 52557 1 871 . 1 . 1 79 79 VAL CB C 13 35.189 0.028 . 1 . . . . . 79 VAL CB . 52557 1 872 . 1 . 1 79 79 VAL CG1 C 13 23.928 0.000 . 2 . . . . . 79 VAL CG1 . 52557 1 873 . 1 . 1 79 79 VAL CG2 C 13 23.304 0.000 . 2 . . . . . 79 VAL CG2 . 52557 1 874 . 1 . 1 79 79 VAL N N 15 120.388 0.041 . 1 . . . . . 79 VAL N . 52557 1 875 . 1 . 1 80 80 TYR H H 1 9.208 0.004 . 1 . . . . . 80 TYR H . 52557 1 876 . 1 . 1 80 80 TYR HA H 1 5.846 0.005 . 1 . . . . . 80 TYR HA . 52557 1 877 . 1 . 1 80 80 TYR HB2 H 1 2.838 0.005 . 1 . . . . . 80 TYR HB2 . 52557 1 878 . 1 . 1 80 80 TYR HB3 H 1 2.838 0.005 . 1 . . . . . 80 TYR HB3 . 52557 1 879 . 1 . 1 80 80 TYR HD1 H 1 7.035 0.014 . 1 . . . . . 80 TYR HD1 . 52557 1 880 . 1 . 1 80 80 TYR HD2 H 1 7.035 0.014 . 1 . . . . . 80 TYR HD2 . 52557 1 881 . 1 . 1 80 80 TYR HE1 H 1 6.635 0.015 . 1 . . . . . 80 TYR HE1 . 52557 1 882 . 1 . 1 80 80 TYR HE2 H 1 6.635 0.015 . 1 . . . . . 80 TYR HE2 . 52557 1 883 . 1 . 1 80 80 TYR C C 13 173.228 0.000 . 1 . . . . . 80 TYR C . 52557 1 884 . 1 . 1 80 80 TYR CA C 13 56.508 0.093 . 1 . . . . . 80 TYR CA . 52557 1 885 . 1 . 1 80 80 TYR CB C 13 41.839 0.013 . 1 . . . . . 80 TYR CB . 52557 1 886 . 1 . 1 80 80 TYR CD1 C 13 133.469 0.000 . 1 . . . . . 80 TYR CD1 . 52557 1 887 . 1 . 1 80 80 TYR CD2 C 13 133.469 0.000 . 1 . . . . . 80 TYR CD2 . 52557 1 888 . 1 . 1 80 80 TYR CE1 C 13 117.689 0.000 . 1 . . . . . 80 TYR CE1 . 52557 1 889 . 1 . 1 80 80 TYR CE2 C 13 117.689 0.000 . 1 . . . . . 80 TYR CE2 . 52557 1 890 . 1 . 1 80 80 TYR N N 15 123.775 0.018 . 1 . . . . . 80 TYR N . 52557 1 891 . 1 . 1 81 81 LEU H H 1 8.605 0.006 . 1 . . . . . 81 LEU H . 52557 1 892 . 1 . 1 81 81 LEU HA H 1 4.680 0.002 . 1 . . . . . 81 LEU HA . 52557 1 893 . 1 . 1 81 81 LEU HB2 H 1 0.663 0.005 . 2 . . . . . 81 LEU HB2 . 52557 1 894 . 1 . 1 81 81 LEU HB3 H 1 -0.678 0.009 . 2 . . . . . 81 LEU HB3 . 52557 1 895 . 1 . 1 81 81 LEU HG H 1 0.152 0.010 . 1 . . . . . 81 LEU HG . 52557 1 896 . 1 . 1 81 81 LEU HD11 H 1 0.519 0.013 . 2 . . . . . 81 LEU HD11 . 52557 1 897 . 1 . 1 81 81 LEU HD12 H 1 0.519 0.013 . 2 . . . . . 81 LEU HD12 . 52557 1 898 . 1 . 1 81 81 LEU HD13 H 1 0.519 0.013 . 2 . . . . . 81 LEU HD13 . 52557 1 899 . 1 . 1 81 81 LEU HD21 H 1 0.679 0.008 . 2 . . . . . 81 LEU HD21 . 52557 1 900 . 1 . 1 81 81 LEU HD22 H 1 0.679 0.008 . 2 . . . . . 81 LEU HD22 . 52557 1 901 . 1 . 1 81 81 LEU HD23 H 1 0.679 0.008 . 2 . . . . . 81 LEU HD23 . 52557 1 902 . 1 . 1 81 81 LEU C C 13 175.748 0.000 . 1 . . . . . 81 LEU C . 52557 1 903 . 1 . 1 81 81 LEU CA C 13 53.494 0.053 . 1 . . . . . 81 LEU CA . 52557 1 904 . 1 . 1 81 81 LEU CB C 13 43.152 0.002 . 1 . . . . . 81 LEU CB . 52557 1 905 . 1 . 1 81 81 LEU CG C 13 25.739 0.000 . 1 . . . . . 81 LEU CG . 52557 1 906 . 1 . 1 81 81 LEU CD1 C 13 26.364 0.000 . 2 . . . . . 81 LEU CD1 . 52557 1 907 . 1 . 1 81 81 LEU CD2 C 13 22.183 0.000 . 2 . . . . . 81 LEU CD2 . 52557 1 908 . 1 . 1 81 81 LEU N N 15 122.385 0.038 . 1 . . . . . 81 LEU N . 52557 1 909 . 1 . 1 82 82 GLN H H 1 9.035 0.005 . 1 . . . . . 82 GLN H . 52557 1 910 . 1 . 1 82 82 GLN HA H 1 4.206 0.001 . 1 . . . . . 82 GLN HA . 52557 1 911 . 1 . 1 82 82 GLN HB2 H 1 1.972 0.013 . 1 . . . . . 82 GLN HB2 . 52557 1 912 . 1 . 1 82 82 GLN HB3 H 1 1.972 0.013 . 1 . . . . . 82 GLN HB3 . 52557 1 913 . 1 . 1 82 82 GLN HG2 H 1 2.375 0.006 . 1 . . . . . 82 GLN HG2 . 52557 1 914 . 1 . 1 82 82 GLN HG3 H 1 2.371 0.002 . 1 . . . . . 82 GLN HG3 . 52557 1 915 . 1 . 1 82 82 GLN C C 13 174.191 0.000 . 1 . . . . . 82 GLN C . 52557 1 916 . 1 . 1 82 82 GLN CA C 13 54.830 0.110 . 1 . . . . . 82 GLN CA . 52557 1 917 . 1 . 1 82 82 GLN CB C 13 29.046 0.045 . 1 . . . . . 82 GLN CB . 52557 1 918 . 1 . 1 82 82 GLN CG C 13 33.397 0.000 . 1 . . . . . 82 GLN CG . 52557 1 919 . 1 . 1 82 82 GLN N N 15 129.406 0.031 . 1 . . . . . 82 GLN N . 52557 1 920 . 1 . 1 83 83 MET H H 1 8.838 0.003 . 1 . . . . . 83 MET H . 52557 1 921 . 1 . 1 83 83 MET HA H 1 4.055 0.001 . 1 . . . . . 83 MET HA . 52557 1 922 . 1 . 1 83 83 MET HB2 H 1 0.970 0.019 . 1 . . . . . 83 MET HB2 . 52557 1 923 . 1 . 1 83 83 MET HB3 H 1 0.970 0.019 . 1 . . . . . 83 MET HB3 . 52557 1 924 . 1 . 1 83 83 MET HG2 H 1 1.455 0.004 . 2 . . . . . 83 MET HG2 . 52557 1 925 . 1 . 1 83 83 MET HG3 H 1 0.004 0.004 . 2 . . . . . 83 MET HG3 . 52557 1 926 . 1 . 1 83 83 MET C C 13 174.260 0.000 . 1 . . . . . 83 MET C . 52557 1 927 . 1 . 1 83 83 MET CA C 13 54.744 0.104 . 1 . . . . . 83 MET CA . 52557 1 928 . 1 . 1 83 83 MET CB C 13 35.092 0.004 . 1 . . . . . 83 MET CB . 52557 1 929 . 1 . 1 83 83 MET CG C 13 29.755 0.000 . 1 . . . . . 83 MET CG . 52557 1 930 . 1 . 1 83 83 MET N N 15 127.876 0.050 . 1 . . . . . 83 MET N . 52557 1 931 . 1 . 1 84 84 ASP H H 1 7.725 0.003 . 1 . . . . . 84 ASP H . 52557 1 932 . 1 . 1 84 84 ASP HA H 1 5.134 0.002 . 1 . . . . . 84 ASP HA . 52557 1 933 . 1 . 1 84 84 ASP HB2 H 1 2.573 0.002 . 2 . . . . . 84 ASP HB2 . 52557 1 934 . 1 . 1 84 84 ASP HB3 H 1 2.822 0.003 . 2 . . . . . 84 ASP HB3 . 52557 1 935 . 1 . 1 84 84 ASP C C 13 172.471 0.000 . 1 . . . . . 84 ASP C . 52557 1 936 . 1 . 1 84 84 ASP CA C 13 52.589 0.007 . 1 . . . . . 84 ASP CA . 52557 1 937 . 1 . 1 84 84 ASP CB C 13 43.627 0.018 . 1 . . . . . 84 ASP CB . 52557 1 938 . 1 . 1 84 84 ASP N N 15 121.107 0.046 . 1 . . . . . 84 ASP N . 52557 1 939 . 1 . 1 85 85 ASN H H 1 8.542 0.003 . 1 . . . . . 85 ASN H . 52557 1 940 . 1 . 1 85 85 ASN HA H 1 4.029 0.014 . 1 . . . . . 85 ASN HA . 52557 1 941 . 1 . 1 85 85 ASN HB2 H 1 2.498 0.007 . 2 . . . . . 85 ASN HB2 . 52557 1 942 . 1 . 1 85 85 ASN HB3 H 1 2.996 0.002 . 2 . . . . . 85 ASN HB3 . 52557 1 943 . 1 . 1 85 85 ASN C C 13 173.995 0.000 . 1 . . . . . 85 ASN C . 52557 1 944 . 1 . 1 85 85 ASN CA C 13 53.241 0.099 . 1 . . . . . 85 ASN CA . 52557 1 945 . 1 . 1 85 85 ASN CB C 13 37.339 0.026 . 1 . . . . . 85 ASN CB . 52557 1 946 . 1 . 1 85 85 ASN N N 15 114.030 0.060 . 1 . . . . . 85 ASN N . 52557 1 947 . 1 . 1 86 86 LEU H H 1 8.152 0.003 . 1 . . . . . 86 LEU H . 52557 1 948 . 1 . 1 86 86 LEU HA H 1 3.921 0.001 . 1 . . . . . 86 LEU HA . 52557 1 949 . 1 . 1 86 86 LEU HB2 H 1 1.432 0.008 . 2 . . . . . 86 LEU HB2 . 52557 1 950 . 1 . 1 86 86 LEU HB3 H 1 1.244 0.025 . 2 . . . . . 86 LEU HB3 . 52557 1 951 . 1 . 1 86 86 LEU HG H 1 1.304 0.004 . 1 . . . . . 86 LEU HG . 52557 1 952 . 1 . 1 86 86 LEU HD11 H 1 0.870 0.018 . 2 . . . . . 86 LEU HD11 . 52557 1 953 . 1 . 1 86 86 LEU HD12 H 1 0.870 0.018 . 2 . . . . . 86 LEU HD12 . 52557 1 954 . 1 . 1 86 86 LEU HD13 H 1 0.870 0.018 . 2 . . . . . 86 LEU HD13 . 52557 1 955 . 1 . 1 86 86 LEU HD21 H 1 0.512 0.002 . 2 . . . . . 86 LEU HD21 . 52557 1 956 . 1 . 1 86 86 LEU HD22 H 1 0.512 0.002 . 2 . . . . . 86 LEU HD22 . 52557 1 957 . 1 . 1 86 86 LEU HD23 H 1 0.512 0.002 . 2 . . . . . 86 LEU HD23 . 52557 1 958 . 1 . 1 86 86 LEU C C 13 176.173 0.000 . 1 . . . . . 86 LEU C . 52557 1 959 . 1 . 1 86 86 LEU CA C 13 56.893 0.083 . 1 . . . . . 86 LEU CA . 52557 1 960 . 1 . 1 86 86 LEU CB C 13 42.853 0.002 . 1 . . . . . 86 LEU CB . 52557 1 961 . 1 . 1 86 86 LEU CG C 13 28.283 0.000 . 1 . . . . . 86 LEU CG . 52557 1 962 . 1 . 1 86 86 LEU CD1 C 13 24.662 0.000 . 2 . . . . . 86 LEU CD1 . 52557 1 963 . 1 . 1 86 86 LEU CD2 C 13 26.947 0.000 . 2 . . . . . 86 LEU CD2 . 52557 1 964 . 1 . 1 86 86 LEU N N 15 117.459 0.050 . 1 . . . . . 86 LEU N . 52557 1 965 . 1 . 1 87 87 ARG H H 1 9.671 0.003 . 1 . . . . . 87 ARG H . 52557 1 966 . 1 . 1 87 87 ARG HA H 1 4.867 0.005 . 1 . . . . . 87 ARG HA . 52557 1 967 . 1 . 1 87 87 ARG HB2 H 1 1.481 0.002 . 2 . . . . . 87 ARG HB2 . 52557 1 968 . 1 . 1 87 87 ARG HB3 H 1 2.149 0.005 . 2 . . . . . 87 ARG HB3 . 52557 1 969 . 1 . 1 87 87 ARG HG2 H 1 1.730 0.023 . 1 . . . . . 87 ARG HG2 . 52557 1 970 . 1 . 1 87 87 ARG HG3 H 1 1.730 0.023 . 1 . . . . . 87 ARG HG3 . 52557 1 971 . 1 . 1 87 87 ARG HD2 H 1 3.105 0.000 . 1 . . . . . 87 ARG HD2 . 52557 1 972 . 1 . 1 87 87 ARG HD3 H 1 3.105 0.000 . 1 . . . . . 87 ARG HD3 . 52557 1 973 . 1 . 1 87 87 ARG C C 13 176.953 0.000 . 1 . . . . . 87 ARG C . 52557 1 974 . 1 . 1 87 87 ARG CA C 13 53.162 0.048 . 1 . . . . . 87 ARG CA . 52557 1 975 . 1 . 1 87 87 ARG CB C 13 31.838 0.003 . 1 . . . . . 87 ARG CB . 52557 1 976 . 1 . 1 87 87 ARG CG C 13 26.650 0.000 . 1 . . . . . 87 ARG CG . 52557 1 977 . 1 . 1 87 87 ARG CD C 13 43.714 0.000 . 1 . . . . . 87 ARG CD . 52557 1 978 . 1 . 1 87 87 ARG N N 15 121.713 0.029 . 1 . . . . . 87 ARG N . 52557 1 979 . 1 . 1 88 88 PRO HA H 1 4.337 0.006 . 1 . . . . . 88 PRO HA . 52557 1 980 . 1 . 1 88 88 PRO HB2 H 1 2.486 0.001 . 2 . . . . . 88 PRO HB2 . 52557 1 981 . 1 . 1 88 88 PRO HB3 H 1 1.955 0.007 . 2 . . . . . 88 PRO HB3 . 52557 1 982 . 1 . 1 88 88 PRO HG2 H 1 2.308 0.010 . 2 . . . . . 88 PRO HG2 . 52557 1 983 . 1 . 1 88 88 PRO HG3 H 1 1.864 0.001 . 2 . . . . . 88 PRO HG3 . 52557 1 984 . 1 . 1 88 88 PRO HD2 H 1 3.566 0.001 . 1 . . . . . 88 PRO HD2 . 52557 1 985 . 1 . 1 88 88 PRO HD3 H 1 3.566 0.001 . 1 . . . . . 88 PRO HD3 . 52557 1 986 . 1 . 1 88 88 PRO CA C 13 66.408 0.003 . 1 . . . . . 88 PRO CA . 52557 1 987 . 1 . 1 88 88 PRO CB C 13 31.938 0.017 . 1 . . . . . 88 PRO CB . 52557 1 988 . 1 . 1 88 88 PRO CG C 13 28.460 0.000 . 1 . . . . . 88 PRO CG . 52557 1 989 . 1 . 1 88 88 PRO CD C 13 50.340 0.000 . 1 . . . . . 88 PRO CD . 52557 1 990 . 1 . 1 89 89 GLU H H 1 9.380 0.003 . 1 . . . . . 89 GLU H . 52557 1 991 . 1 . 1 89 89 GLU HA H 1 4.325 0.004 . 1 . . . . . 89 GLU HA . 52557 1 992 . 1 . 1 89 89 GLU HB2 H 1 2.052 0.003 . 2 . . . . . 89 GLU HB2 . 52557 1 993 . 1 . 1 89 89 GLU HB3 H 1 2.110 0.000 . 2 . . . . . 89 GLU HB3 . 52557 1 994 . 1 . 1 89 89 GLU HG2 H 1 2.241 0.000 . 2 . . . . . 89 GLU HG2 . 52557 1 995 . 1 . 1 89 89 GLU HG3 H 1 2.175 0.000 . 2 . . . . . 89 GLU HG3 . 52557 1 996 . 1 . 1 89 89 GLU C C 13 178.813 0.000 . 1 . . . . . 89 GLU C . 52557 1 997 . 1 . 1 89 89 GLU CA C 13 58.464 0.152 . 1 . . . . . 89 GLU CA . 52557 1 998 . 1 . 1 89 89 GLU CB C 13 28.045 0.041 . 1 . . . . . 89 GLU CB . 52557 1 999 . 1 . 1 89 89 GLU CG C 13 36.217 0.009 . 1 . . . . . 89 GLU CG . 52557 1 1000 . 1 . 1 89 89 GLU N N 15 115.345 0.046 . 1 . . . . . 89 GLU N . 52557 1 1001 . 1 . 1 90 90 ASP H H 1 8.667 0.003 . 1 . . . . . 90 ASP H . 52557 1 1002 . 1 . 1 90 90 ASP HA H 1 4.735 0.021 . 1 . . . . . 90 ASP HA . 52557 1 1003 . 1 . 1 90 90 ASP HB2 H 1 2.783 0.004 . 2 . . . . . 90 ASP HB2 . 52557 1 1004 . 1 . 1 90 90 ASP HB3 H 1 3.049 0.011 . 2 . . . . . 90 ASP HB3 . 52557 1 1005 . 1 . 1 90 90 ASP C C 13 175.981 0.000 . 1 . . . . . 90 ASP C . 52557 1 1006 . 1 . 1 90 90 ASP CA C 13 55.037 0.072 . 1 . . . . . 90 ASP CA . 52557 1 1007 . 1 . 1 90 90 ASP CB C 13 42.249 0.028 . 1 . . . . . 90 ASP CB . 52557 1 1008 . 1 . 1 90 90 ASP N N 15 118.571 0.016 . 1 . . . . . 90 ASP N . 52557 1 1009 . 1 . 1 91 91 THR H H 1 7.918 0.003 . 1 . . . . . 91 THR H . 52557 1 1010 . 1 . 1 91 91 THR HA H 1 4.392 0.001 . 1 . . . . . 91 THR HA . 52557 1 1011 . 1 . 1 91 91 THR HB H 1 4.351 0.002 . 1 . . . . . 91 THR HB . 52557 1 1012 . 1 . 1 91 91 THR HG21 H 1 1.484 0.006 . 1 . . . . . 91 THR HG21 . 52557 1 1013 . 1 . 1 91 91 THR HG22 H 1 1.484 0.006 . 1 . . . . . 91 THR HG22 . 52557 1 1014 . 1 . 1 91 91 THR HG23 H 1 1.484 0.006 . 1 . . . . . 91 THR HG23 . 52557 1 1015 . 1 . 1 91 91 THR C C 13 176.823 0.000 . 1 . . . . . 91 THR C . 52557 1 1016 . 1 . 1 91 91 THR CA C 13 64.892 0.009 . 1 . . . . . 91 THR CA . 52557 1 1017 . 1 . 1 91 91 THR CB C 13 69.871 0.046 . 1 . . . . . 91 THR CB . 52557 1 1018 . 1 . 1 91 91 THR CG2 C 13 21.561 0.000 . 1 . . . . . 91 THR CG2 . 52557 1 1019 . 1 . 1 91 91 THR N N 15 120.670 0.034 . 1 . . . . . 91 THR N . 52557 1 1020 . 1 . 1 92 92 ALA H H 1 9.210 0.003 . 1 . . . . . 92 ALA H . 52557 1 1021 . 1 . 1 92 92 ALA HA H 1 4.472 0.001 . 1 . . . . . 92 ALA HA . 52557 1 1022 . 1 . 1 92 92 ALA HB1 H 1 1.121 0.009 . 1 . . . . . 92 ALA HB1 . 52557 1 1023 . 1 . 1 92 92 ALA HB2 H 1 1.121 0.009 . 1 . . . . . 92 ALA HB2 . 52557 1 1024 . 1 . 1 92 92 ALA HB3 H 1 1.121 0.009 . 1 . . . . . 92 ALA HB3 . 52557 1 1025 . 1 . 1 92 92 ALA C C 13 174.395 0.000 . 1 . . . . . 92 ALA C . 52557 1 1026 . 1 . 1 92 92 ALA CA C 13 52.870 0.121 . 1 . . . . . 92 ALA CA . 52557 1 1027 . 1 . 1 92 92 ALA CB C 13 21.328 0.028 . 1 . . . . . 92 ALA CB . 52557 1 1028 . 1 . 1 92 92 ALA N N 15 128.408 0.046 . 1 . . . . . 92 ALA N . 52557 1 1029 . 1 . 1 93 93 MET H H 1 7.688 0.003 . 1 . . . . . 93 MET H . 52557 1 1030 . 1 . 1 93 93 MET HA H 1 4.847 0.016 . 1 . . . . . 93 MET HA . 52557 1 1031 . 1 . 1 93 93 MET HB2 H 1 1.729 0.002 . 2 . . . . . 93 MET HB2 . 52557 1 1032 . 1 . 1 93 93 MET HB3 H 1 2.024 0.006 . 2 . . . . . 93 MET HB3 . 52557 1 1033 . 1 . 1 93 93 MET HG2 H 1 2.537 0.003 . 1 . . . . . 93 MET HG2 . 52557 1 1034 . 1 . 1 93 93 MET HG3 H 1 2.537 0.003 . 1 . . . . . 93 MET HG3 . 52557 1 1035 . 1 . 1 93 93 MET C C 13 175.623 0.000 . 1 . . . . . 93 MET C . 52557 1 1036 . 1 . 1 93 93 MET CA C 13 54.236 0.002 . 1 . . . . . 93 MET CA . 52557 1 1037 . 1 . 1 93 93 MET CB C 13 33.082 0.055 . 1 . . . . . 93 MET CB . 52557 1 1038 . 1 . 1 93 93 MET CG C 13 31.971 0.000 . 1 . . . . . 93 MET CG . 52557 1 1039 . 1 . 1 93 93 MET N N 15 117.863 0.021 . 1 . . . . . 93 MET N . 52557 1 1040 . 1 . 1 94 94 TYR H H 1 9.094 0.003 . 1 . . . . . 94 TYR H . 52557 1 1041 . 1 . 1 94 94 TYR HA H 1 4.800 0.005 . 1 . . . . . 94 TYR HA . 52557 1 1042 . 1 . 1 94 94 TYR HB2 H 1 2.676 0.010 . 2 . . . . . 94 TYR HB2 . 52557 1 1043 . 1 . 1 94 94 TYR HB3 H 1 2.986 0.010 . 2 . . . . . 94 TYR HB3 . 52557 1 1044 . 1 . 1 94 94 TYR C C 13 175.462 0.000 . 1 . . . . . 94 TYR C . 52557 1 1045 . 1 . 1 94 94 TYR CA C 13 58.346 0.075 . 1 . . . . . 94 TYR CA . 52557 1 1046 . 1 . 1 94 94 TYR CB C 13 41.235 0.008 . 1 . . . . . 94 TYR CB . 52557 1 1047 . 1 . 1 94 94 TYR N N 15 125.113 0.018 . 1 . . . . . 94 TYR N . 52557 1 1048 . 1 . 1 95 95 TYR H H 1 9.405 0.004 . 1 . . . . . 95 TYR H . 52557 1 1049 . 1 . 1 95 95 TYR HA H 1 5.118 0.002 . 1 . . . . . 95 TYR HA . 52557 1 1050 . 1 . 1 95 95 TYR HB2 H 1 2.821 0.011 . 2 . . . . . 95 TYR HB2 . 52557 1 1051 . 1 . 1 95 95 TYR HB3 H 1 2.450 0.005 . 2 . . . . . 95 TYR HB3 . 52557 1 1052 . 1 . 1 95 95 TYR HD1 H 1 6.811 0.018 . 1 . . . . . 95 TYR HD1 . 52557 1 1053 . 1 . 1 95 95 TYR HD2 H 1 6.811 0.018 . 1 . . . . . 95 TYR HD2 . 52557 1 1054 . 1 . 1 95 95 TYR HE1 H 1 6.560 0.016 . 1 . . . . . 95 TYR HE1 . 52557 1 1055 . 1 . 1 95 95 TYR HE2 H 1 6.560 0.016 . 1 . . . . . 95 TYR HE2 . 52557 1 1056 . 1 . 1 95 95 TYR C C 13 174.508 0.000 . 1 . . . . . 95 TYR C . 52557 1 1057 . 1 . 1 95 95 TYR CA C 13 55.292 0.066 . 1 . . . . . 95 TYR CA . 52557 1 1058 . 1 . 1 95 95 TYR CB C 13 41.529 0.086 . 1 . . . . . 95 TYR CB . 52557 1 1059 . 1 . 1 95 95 TYR CD1 C 13 133.959 0.000 . 1 . . . . . 95 TYR CD1 . 52557 1 1060 . 1 . 1 95 95 TYR CD2 C 13 133.959 0.000 . 1 . . . . . 95 TYR CD2 . 52557 1 1061 . 1 . 1 95 95 TYR CE1 C 13 118.336 0.000 . 1 . . . . . 95 TYR CE1 . 52557 1 1062 . 1 . 1 95 95 TYR CE2 C 13 118.336 0.000 . 1 . . . . . 95 TYR CE2 . 52557 1 1063 . 1 . 1 95 95 TYR N N 15 117.260 0.045 . 1 . . . . . 95 TYR N . 52557 1 1064 . 1 . 1 96 96 CYS H H 1 11.719 0.009 . 1 . . . . . 96 CYS H . 52557 1 1065 . 1 . 1 96 96 CYS HA H 1 4.632 0.013 . 1 . . . . . 96 CYS HA . 52557 1 1066 . 1 . 1 96 96 CYS HB2 H 1 2.126 0.010 . 1 . . . . . 96 CYS HB2 . 52557 1 1067 . 1 . 1 96 96 CYS HB3 H 1 2.126 0.010 . 1 . . . . . 96 CYS HB3 . 52557 1 1068 . 1 . 1 96 96 CYS C C 13 174.390 0.000 . 1 . . . . . 96 CYS C . 52557 1 1069 . 1 . 1 96 96 CYS CA C 13 52.802 0.132 . 1 . . . . . 96 CYS CA . 52557 1 1070 . 1 . 1 96 96 CYS CB C 13 44.082 0.039 . 1 . . . . . 96 CYS CB . 52557 1 1071 . 1 . 1 96 96 CYS N N 15 126.592 0.041 . 1 . . . . . 96 CYS N . 52557 1 1072 . 1 . 1 97 97 ALA H H 1 8.229 0.004 . 1 . . . . . 97 ALA H . 52557 1 1073 . 1 . 1 97 97 ALA HA H 1 5.301 0.000 . 1 . . . . . 97 ALA HA . 52557 1 1074 . 1 . 1 97 97 ALA HB1 H 1 1.000 0.002 . 1 . . . . . 97 ALA HB1 . 52557 1 1075 . 1 . 1 97 97 ALA HB2 H 1 1.000 0.002 . 1 . . . . . 97 ALA HB2 . 52557 1 1076 . 1 . 1 97 97 ALA HB3 H 1 1.000 0.002 . 1 . . . . . 97 ALA HB3 . 52557 1 1077 . 1 . 1 97 97 ALA C C 13 172.643 0.000 . 1 . . . . . 97 ALA C . 52557 1 1078 . 1 . 1 97 97 ALA CA C 13 50.558 0.025 . 1 . . . . . 97 ALA CA . 52557 1 1079 . 1 . 1 97 97 ALA CB C 13 23.263 0.035 . 1 . . . . . 97 ALA CB . 52557 1 1080 . 1 . 1 97 97 ALA N N 15 120.855 0.062 . 1 . . . . . 97 ALA N . 52557 1 1081 . 1 . 1 98 98 LYS H H 1 7.882 0.004 . 1 . . . . . 98 LYS H . 52557 1 1082 . 1 . 1 98 98 LYS HA H 1 5.042 0.002 . 1 . . . . . 98 LYS HA . 52557 1 1083 . 1 . 1 98 98 LYS HB2 H 1 1.314 0.003 . 1 . . . . . 98 LYS HB2 . 52557 1 1084 . 1 . 1 98 98 LYS HB3 H 1 1.314 0.003 . 1 . . . . . 98 LYS HB3 . 52557 1 1085 . 1 . 1 98 98 LYS HG2 H 1 0.917 0.000 . 2 . . . . . 98 LYS HG2 . 52557 1 1086 . 1 . 1 98 98 LYS HG3 H 1 0.867 0.019 . 2 . . . . . 98 LYS HG3 . 52557 1 1087 . 1 . 1 98 98 LYS HD2 H 1 0.356 0.000 . 2 . . . . . 98 LYS HD2 . 52557 1 1088 . 1 . 1 98 98 LYS HD3 H 1 0.792 0.021 . 2 . . . . . 98 LYS HD3 . 52557 1 1089 . 1 . 1 98 98 LYS HE2 H 1 2.213 0.019 . 1 . . . . . 98 LYS HE2 . 52557 1 1090 . 1 . 1 98 98 LYS HE3 H 1 2.213 0.019 . 1 . . . . . 98 LYS HE3 . 52557 1 1091 . 1 . 1 98 98 LYS C C 13 176.386 0.000 . 1 . . . . . 98 LYS C . 52557 1 1092 . 1 . 1 98 98 LYS CA C 13 54.839 0.110 . 1 . . . . . 98 LYS CA . 52557 1 1093 . 1 . 1 98 98 LYS CB C 13 36.207 0.032 . 1 . . . . . 98 LYS CB . 52557 1 1094 . 1 . 1 98 98 LYS CG C 13 23.282 0.000 . 1 . . . . . 98 LYS CG . 52557 1 1095 . 1 . 1 98 98 LYS CD C 13 29.290 0.000 . 1 . . . . . 98 LYS CD . 52557 1 1096 . 1 . 1 98 98 LYS CE C 13 41.197 0.000 . 1 . . . . . 98 LYS CE . 52557 1 1097 . 1 . 1 98 98 LYS N N 15 123.741 0.019 . 1 . . . . . 98 LYS N . 52557 1 1098 . 1 . 1 99 99 GLY H H 1 8.262 0.004 . 1 . . . . . 99 GLY H . 52557 1 1099 . 1 . 1 99 99 GLY HA2 H 1 3.695 0.001 . 2 . . . . . 99 GLY HA2 . 52557 1 1100 . 1 . 1 99 99 GLY HA3 H 1 4.108 0.002 . 2 . . . . . 99 GLY HA3 . 52557 1 1101 . 1 . 1 99 99 GLY C C 13 175.199 0.000 . 1 . . . . . 99 GLY C . 52557 1 1102 . 1 . 1 99 99 GLY CA C 13 44.694 0.015 . 1 . . . . . 99 GLY CA . 52557 1 1103 . 1 . 1 99 99 GLY N N 15 111.263 0.041 . 1 . . . . . 99 GLY N . 52557 1 1104 . 1 . 1 100 100 TRP H H 1 8.189 0.003 . 1 . . . . . 100 TRP H . 52557 1 1105 . 1 . 1 100 100 TRP HA H 1 4.362 0.004 . 1 . . . . . 100 TRP HA . 52557 1 1106 . 1 . 1 100 100 TRP HB2 H 1 2.650 0.001 . 2 . . . . . 100 TRP HB2 . 52557 1 1107 . 1 . 1 100 100 TRP HB3 H 1 2.854 0.011 . 2 . . . . . 100 TRP HB3 . 52557 1 1108 . 1 . 1 100 100 TRP HD1 H 1 6.544 0.011 . 1 . . . . . 100 TRP HD1 . 52557 1 1109 . 1 . 1 100 100 TRP HE1 H 1 9.260 0.003 . 1 . . . . . 100 TRP HE1 . 52557 1 1110 . 1 . 1 100 100 TRP HZ2 H 1 7.074 0.011 . 1 . . . . . 100 TRP HZ2 . 52557 1 1111 . 1 . 1 100 100 TRP HH2 H 1 6.806 0.006 . 1 . . . . . 100 TRP HH2 . 52557 1 1112 . 1 . 1 100 100 TRP C C 13 171.860 0.000 . 1 . . . . . 100 TRP C . 52557 1 1113 . 1 . 1 100 100 TRP CA C 13 56.566 0.161 . 1 . . . . . 100 TRP CA . 52557 1 1114 . 1 . 1 100 100 TRP CB C 13 28.603 0.028 . 1 . . . . . 100 TRP CB . 52557 1 1115 . 1 . 1 100 100 TRP CD1 C 13 126.108 0.000 . 1 . . . . . 100 TRP CD1 . 52557 1 1116 . 1 . 1 100 100 TRP CZ2 C 13 114.278 0.000 . 1 . . . . . 100 TRP CZ2 . 52557 1 1117 . 1 . 1 100 100 TRP N N 15 120.798 0.043 . 1 . . . . . 100 TRP N . 52557 1 1118 . 1 . 1 100 100 TRP NE1 N 15 127.896 0.019 . 1 . . . . . 100 TRP NE1 . 52557 1 1119 . 1 . 1 101 101 VAL H H 1 8.135 0.006 . 1 . . . . . 101 VAL H . 52557 1 1120 . 1 . 1 101 101 VAL HA H 1 3.833 0.003 . 1 . . . . . 101 VAL HA . 52557 1 1121 . 1 . 1 101 101 VAL HB H 1 1.480 0.016 . 1 . . . . . 101 VAL HB . 52557 1 1122 . 1 . 1 101 101 VAL HG11 H 1 0.552 0.022 . 2 . . . . . 101 VAL HG11 . 52557 1 1123 . 1 . 1 101 101 VAL HG12 H 1 0.552 0.022 . 2 . . . . . 101 VAL HG12 . 52557 1 1124 . 1 . 1 101 101 VAL HG13 H 1 0.552 0.022 . 2 . . . . . 101 VAL HG13 . 52557 1 1125 . 1 . 1 101 101 VAL HG21 H 1 0.574 0.007 . 2 . . . . . 101 VAL HG21 . 52557 1 1126 . 1 . 1 101 101 VAL HG22 H 1 0.574 0.007 . 2 . . . . . 101 VAL HG22 . 52557 1 1127 . 1 . 1 101 101 VAL HG23 H 1 0.574 0.007 . 2 . . . . . 101 VAL HG23 . 52557 1 1128 . 1 . 1 101 101 VAL C C 13 176.433 0.000 . 1 . . . . . 101 VAL C . 52557 1 1129 . 1 . 1 101 101 VAL CA C 13 61.731 0.071 . 1 . . . . . 101 VAL CA . 52557 1 1130 . 1 . 1 101 101 VAL CB C 13 33.210 0.028 . 1 . . . . . 101 VAL CB . 52557 1 1131 . 1 . 1 101 101 VAL CG1 C 13 21.586 0.000 . 2 . . . . . 101 VAL CG1 . 52557 1 1132 . 1 . 1 101 101 VAL CG2 C 13 21.924 0.000 . 2 . . . . . 101 VAL CG2 . 52557 1 1133 . 1 . 1 101 101 VAL N N 15 127.347 0.022 . 1 . . . . . 101 VAL N . 52557 1 1134 . 1 . 1 102 102 ARG H H 1 8.570 0.006 . 1 . . . . . 102 ARG H . 52557 1 1135 . 1 . 1 102 102 ARG HA H 1 4.038 0.005 . 1 . . . . . 102 ARG HA . 52557 1 1136 . 1 . 1 102 102 ARG HB2 H 1 1.519 0.004 . 2 . . . . . 102 ARG HB2 . 52557 1 1137 . 1 . 1 102 102 ARG HB3 H 1 1.368 0.006 . 2 . . . . . 102 ARG HB3 . 52557 1 1138 . 1 . 1 102 102 ARG HG2 H 1 1.259 0.016 . 2 . . . . . 102 ARG HG2 . 52557 1 1139 . 1 . 1 102 102 ARG HG3 H 1 1.181 0.004 . 2 . . . . . 102 ARG HG3 . 52557 1 1140 . 1 . 1 102 102 ARG HD2 H 1 2.877 0.008 . 1 . . . . . 102 ARG HD2 . 52557 1 1141 . 1 . 1 102 102 ARG HD3 H 1 2.877 0.008 . 1 . . . . . 102 ARG HD3 . 52557 1 1142 . 1 . 1 102 102 ARG C C 13 174.089 0.000 . 1 . . . . . 102 ARG C . 52557 1 1143 . 1 . 1 102 102 ARG CA C 13 54.789 0.099 . 1 . . . . . 102 ARG CA . 52557 1 1144 . 1 . 1 102 102 ARG CB C 13 30.993 0.042 . 1 . . . . . 102 ARG CB . 52557 1 1145 . 1 . 1 102 102 ARG CG C 13 26.669 0.001 . 1 . . . . . 102 ARG CG . 52557 1 1146 . 1 . 1 102 102 ARG CD C 13 43.205 0.000 . 1 . . . . . 102 ARG CD . 52557 1 1147 . 1 . 1 102 102 ARG N N 15 129.815 0.032 . 1 . . . . . 102 ARG N . 52557 1 1148 . 1 . 1 103 103 LEU H H 1 8.229 0.003 . 1 . . . . . 103 LEU H . 52557 1 1149 . 1 . 1 103 103 LEU HA H 1 4.130 0.003 . 1 . . . . . 103 LEU HA . 52557 1 1150 . 1 . 1 103 103 LEU HB2 H 1 1.582 0.014 . 2 . . . . . 103 LEU HB2 . 52557 1 1151 . 1 . 1 103 103 LEU HB3 H 1 1.362 0.001 . 2 . . . . . 103 LEU HB3 . 52557 1 1152 . 1 . 1 103 103 LEU HG H 1 1.491 0.000 . 1 . . . . . 103 LEU HG . 52557 1 1153 . 1 . 1 103 103 LEU HD11 H 1 0.770 0.013 . 1 . . . . . 103 LEU HD11 . 52557 1 1154 . 1 . 1 103 103 LEU HD12 H 1 0.770 0.013 . 1 . . . . . 103 LEU HD12 . 52557 1 1155 . 1 . 1 103 103 LEU HD13 H 1 0.770 0.013 . 1 . . . . . 103 LEU HD13 . 52557 1 1156 . 1 . 1 103 103 LEU HD21 H 1 0.770 0.013 . 1 . . . . . 103 LEU HD21 . 52557 1 1157 . 1 . 1 103 103 LEU HD22 H 1 0.770 0.013 . 1 . . . . . 103 LEU HD22 . 52557 1 1158 . 1 . 1 103 103 LEU HD23 H 1 0.770 0.013 . 1 . . . . . 103 LEU HD23 . 52557 1 1159 . 1 . 1 103 103 LEU C C 13 174.037 0.000 . 1 . . . . . 103 LEU C . 52557 1 1160 . 1 . 1 103 103 LEU CA C 13 53.033 0.070 . 1 . . . . . 103 LEU CA . 52557 1 1161 . 1 . 1 103 103 LEU CB C 13 40.599 0.002 . 1 . . . . . 103 LEU CB . 52557 1 1162 . 1 . 1 103 103 LEU CG C 13 26.804 0.000 . 1 . . . . . 103 LEU CG . 52557 1 1163 . 1 . 1 103 103 LEU CD1 C 13 23.288 0.000 . 1 . . . . . 103 LEU CD1 . 52557 1 1164 . 1 . 1 103 103 LEU CD2 C 13 23.288 0.000 . 1 . . . . . 103 LEU CD2 . 52557 1 1165 . 1 . 1 103 103 LEU N N 15 122.655 0.047 . 1 . . . . . 103 LEU N . 52557 1 1166 . 1 . 1 106 106 PRO HA H 1 4.357 0.005 . 1 . . . . . 106 PRO HA . 52557 1 1167 . 1 . 1 106 106 PRO HB2 H 1 2.311 0.010 . 2 . . . . . 106 PRO HB2 . 52557 1 1168 . 1 . 1 106 106 PRO HB3 H 1 1.959 0.003 . 2 . . . . . 106 PRO HB3 . 52557 1 1169 . 1 . 1 106 106 PRO HG2 H 1 1.951 0.000 . 1 . . . . . 106 PRO HG2 . 52557 1 1170 . 1 . 1 106 106 PRO HG3 H 1 1.951 0.000 . 1 . . . . . 106 PRO HG3 . 52557 1 1171 . 1 . 1 106 106 PRO HD2 H 1 3.974 0.001 . 2 . . . . . 106 PRO HD2 . 52557 1 1172 . 1 . 1 106 106 PRO HD3 H 1 3.574 0.003 . 2 . . . . . 106 PRO HD3 . 52557 1 1173 . 1 . 1 106 106 PRO CA C 13 63.845 0.001 . 1 . . . . . 106 PRO CA . 52557 1 1174 . 1 . 1 106 106 PRO CB C 13 32.305 0.064 . 1 . . . . . 106 PRO CB . 52557 1 1175 . 1 . 1 106 106 PRO CG C 13 26.742 0.000 . 1 . . . . . 106 PRO CG . 52557 1 1176 . 1 . 1 106 106 PRO CD C 13 50.764 0.001 . 1 . . . . . 106 PRO CD . 52557 1 1177 . 1 . 1 107 107 ASP H H 1 8.169 0.003 . 1 . . . . . 107 ASP H . 52557 1 1178 . 1 . 1 107 107 ASP HA H 1 4.749 0.001 . 1 . . . . . 107 ASP HA . 52557 1 1179 . 1 . 1 107 107 ASP HB2 H 1 2.450 0.001 . 2 . . . . . 107 ASP HB2 . 52557 1 1180 . 1 . 1 107 107 ASP HB3 H 1 2.827 0.012 . 2 . . . . . 107 ASP HB3 . 52557 1 1181 . 1 . 1 107 107 ASP C C 13 176.652 0.000 . 1 . . . . . 107 ASP C . 52557 1 1182 . 1 . 1 107 107 ASP CA C 13 53.514 0.020 . 1 . . . . . 107 ASP CA . 52557 1 1183 . 1 . 1 107 107 ASP CB C 13 41.234 0.029 . 1 . . . . . 107 ASP CB . 52557 1 1184 . 1 . 1 107 107 ASP N N 15 117.784 0.055 . 1 . . . . . 107 ASP N . 52557 1 1185 . 1 . 1 108 108 LEU H H 1 6.855 0.003 . 1 . . . . . 108 LEU H . 52557 1 1186 . 1 . 1 108 108 LEU HA H 1 3.838 0.001 . 1 . . . . . 108 LEU HA . 52557 1 1187 . 1 . 1 108 108 LEU HB2 H 1 1.515 0.003 . 1 . . . . . 108 LEU HB2 . 52557 1 1188 . 1 . 1 108 108 LEU HB3 H 1 1.515 0.003 . 1 . . . . . 108 LEU HB3 . 52557 1 1189 . 1 . 1 108 108 LEU C C 13 175.278 0.000 . 1 . . . . . 108 LEU C . 52557 1 1190 . 1 . 1 108 108 LEU CA C 13 55.991 0.028 . 1 . . . . . 108 LEU CA . 52557 1 1191 . 1 . 1 108 108 LEU CB C 13 43.126 0.008 . 1 . . . . . 108 LEU CB . 52557 1 1192 . 1 . 1 108 108 LEU N N 15 122.477 0.030 . 1 . . . . . 108 LEU N . 52557 1 1193 . 1 . 1 109 109 VAL H H 1 9.087 0.004 . 1 . . . . . 109 VAL H . 52557 1 1194 . 1 . 1 109 109 VAL HA H 1 3.972 0.011 . 1 . . . . . 109 VAL HA . 52557 1 1195 . 1 . 1 109 109 VAL HB H 1 1.930 0.019 . 1 . . . . . 109 VAL HB . 52557 1 1196 . 1 . 1 109 109 VAL HG11 H 1 0.772 0.020 . 2 . . . . . 109 VAL HG11 . 52557 1 1197 . 1 . 1 109 109 VAL HG12 H 1 0.772 0.020 . 2 . . . . . 109 VAL HG12 . 52557 1 1198 . 1 . 1 109 109 VAL HG13 H 1 0.772 0.020 . 2 . . . . . 109 VAL HG13 . 52557 1 1199 . 1 . 1 109 109 VAL HG21 H 1 0.945 0.005 . 2 . . . . . 109 VAL HG21 . 52557 1 1200 . 1 . 1 109 109 VAL HG22 H 1 0.945 0.005 . 2 . . . . . 109 VAL HG22 . 52557 1 1201 . 1 . 1 109 109 VAL HG23 H 1 0.945 0.005 . 2 . . . . . 109 VAL HG23 . 52557 1 1202 . 1 . 1 109 109 VAL C C 13 176.125 0.000 . 1 . . . . . 109 VAL C . 52557 1 1203 . 1 . 1 109 109 VAL CA C 13 63.279 0.008 . 1 . . . . . 109 VAL CA . 52557 1 1204 . 1 . 1 109 109 VAL CB C 13 31.159 0.013 . 1 . . . . . 109 VAL CB . 52557 1 1205 . 1 . 1 109 109 VAL CG1 C 13 21.242 0.000 . 2 . . . . . 109 VAL CG1 . 52557 1 1206 . 1 . 1 109 109 VAL CG2 C 13 21.623 0.000 . 2 . . . . . 109 VAL CG2 . 52557 1 1207 . 1 . 1 109 109 VAL N N 15 131.216 0.051 . 1 . . . . . 109 VAL N . 52557 1 1208 . 1 . 1 110 110 ARG H H 1 8.015 0.005 . 1 . . . . . 110 ARG H . 52557 1 1209 . 1 . 1 110 110 ARG HA H 1 5.653 0.001 . 1 . . . . . 110 ARG HA . 52557 1 1210 . 1 . 1 110 110 ARG HB2 H 1 1.470 0.012 . 2 . . . . . 110 ARG HB2 . 52557 1 1211 . 1 . 1 110 110 ARG HB3 H 1 1.608 0.006 . 2 . . . . . 110 ARG HB3 . 52557 1 1212 . 1 . 1 110 110 ARG HG2 H 1 1.294 0.006 . 1 . . . . . 110 ARG HG2 . 52557 1 1213 . 1 . 1 110 110 ARG HG3 H 1 1.294 0.006 . 1 . . . . . 110 ARG HG3 . 52557 1 1214 . 1 . 1 110 110 ARG C C 13 173.386 0.000 . 1 . . . . . 110 ARG C . 52557 1 1215 . 1 . 1 110 110 ARG CA C 13 53.288 0.078 . 1 . . . . . 110 ARG CA . 52557 1 1216 . 1 . 1 110 110 ARG CB C 13 34.193 0.065 . 1 . . . . . 110 ARG CB . 52557 1 1217 . 1 . 1 110 110 ARG CG C 13 24.986 0.000 . 1 . . . . . 110 ARG CG . 52557 1 1218 . 1 . 1 110 110 ARG N N 15 122.356 0.134 . 1 . . . . . 110 ARG N . 52557 1 1219 . 1 . 1 111 111 GLY H H 1 7.861 0.006 . 1 . . . . . 111 GLY H . 52557 1 1220 . 1 . 1 111 111 GLY HA2 H 1 4.498 0.000 . 2 . . . . . 111 GLY HA2 . 52557 1 1221 . 1 . 1 111 111 GLY HA3 H 1 4.995 0.011 . 2 . . . . . 111 GLY HA3 . 52557 1 1222 . 1 . 1 111 111 GLY C C 13 176.731 0.000 . 1 . . . . . 111 GLY C . 52557 1 1223 . 1 . 1 111 111 GLY CA C 13 46.220 0.020 . 1 . . . . . 111 GLY CA . 52557 1 1224 . 1 . 1 111 111 GLY N N 15 109.036 0.039 . 1 . . . . . 111 GLY N . 52557 1 1225 . 1 . 1 112 112 GLN H H 1 8.518 0.004 . 1 . . . . . 112 GLN H . 52557 1 1226 . 1 . 1 112 112 GLN HA H 1 4.418 0.010 . 1 . . . . . 112 GLN HA . 52557 1 1227 . 1 . 1 112 112 GLN HB2 H 1 2.407 0.009 . 2 . . . . . 112 GLN HB2 . 52557 1 1228 . 1 . 1 112 112 GLN HB3 H 1 2.278 0.002 . 2 . . . . . 112 GLN HB3 . 52557 1 1229 . 1 . 1 112 112 GLN HG2 H 1 2.686 0.004 . 1 . . . . . 112 GLN HG2 . 52557 1 1230 . 1 . 1 112 112 GLN HG3 H 1 2.686 0.004 . 1 . . . . . 112 GLN HG3 . 52557 1 1231 . 1 . 1 112 112 GLN HE21 H 1 7.737 0.002 . 1 . . . . . 112 GLN HE21 . 52557 1 1232 . 1 . 1 112 112 GLN HE22 H 1 7.058 0.004 . 1 . . . . . 112 GLN HE22 . 52557 1 1233 . 1 . 1 112 112 GLN C C 13 174.282 0.000 . 1 . . . . . 112 GLN C . 52557 1 1234 . 1 . 1 112 112 GLN CA C 13 57.210 0.042 . 1 . . . . . 112 GLN CA . 52557 1 1235 . 1 . 1 112 112 GLN CB C 13 29.430 0.024 . 1 . . . . . 112 GLN CB . 52557 1 1236 . 1 . 1 112 112 GLN CG C 13 34.448 0.000 . 1 . . . . . 112 GLN CG . 52557 1 1237 . 1 . 1 112 112 GLN N N 15 116.717 0.055 . 1 . . . . . 112 GLN N . 52557 1 1238 . 1 . 1 112 112 GLN NE2 N 15 113.276 0.062 . 1 . . . . . 112 GLN NE2 . 52557 1 1239 . 1 . 1 113 113 GLY H H 1 9.692 0.003 . 1 . . . . . 113 GLY H . 52557 1 1240 . 1 . 1 113 113 GLY HA2 H 1 3.598 0.004 . 2 . . . . . 113 GLY HA2 . 52557 1 1241 . 1 . 1 113 113 GLY HA3 H 1 3.765 0.008 . 2 . . . . . 113 GLY HA3 . 52557 1 1242 . 1 . 1 113 113 GLY C C 13 178.053 0.000 . 1 . . . . . 113 GLY C . 52557 1 1243 . 1 . 1 113 113 GLY CA C 13 45.033 0.014 . 1 . . . . . 113 GLY CA . 52557 1 1244 . 1 . 1 113 113 GLY N N 15 110.773 0.025 . 1 . . . . . 113 GLY N . 52557 1 1245 . 1 . 1 114 114 THR H H 1 8.637 0.004 . 1 . . . . . 114 THR H . 52557 1 1246 . 1 . 1 114 114 THR HA H 1 4.704 0.007 . 1 . . . . . 114 THR HA . 52557 1 1247 . 1 . 1 114 114 THR HB H 1 3.733 0.004 . 1 . . . . . 114 THR HB . 52557 1 1248 . 1 . 1 114 114 THR HG21 H 1 1.099 0.010 . 1 . . . . . 114 THR HG21 . 52557 1 1249 . 1 . 1 114 114 THR HG22 H 1 1.099 0.010 . 1 . . . . . 114 THR HG22 . 52557 1 1250 . 1 . 1 114 114 THR HG23 H 1 1.099 0.010 . 1 . . . . . 114 THR HG23 . 52557 1 1251 . 1 . 1 114 114 THR C C 13 173.585 0.000 . 1 . . . . . 114 THR C . 52557 1 1252 . 1 . 1 114 114 THR CA C 13 60.306 0.137 . 1 . . . . . 114 THR CA . 52557 1 1253 . 1 . 1 114 114 THR CB C 13 70.848 0.034 . 1 . . . . . 114 THR CB . 52557 1 1254 . 1 . 1 114 114 THR CG2 C 13 20.097 0.000 . 1 . . . . . 114 THR CG2 . 52557 1 1255 . 1 . 1 114 114 THR N N 15 115.662 0.008 . 1 . . . . . 114 THR N . 52557 1 1256 . 1 . 1 115 115 GLN H H 1 8.562 0.006 . 1 . . . . . 115 GLN H . 52557 1 1257 . 1 . 1 115 115 GLN HA H 1 4.561 0.012 . 1 . . . . . 115 GLN HA . 52557 1 1258 . 1 . 1 115 115 GLN HB2 H 1 1.964 0.005 . 2 . . . . . 115 GLN HB2 . 52557 1 1259 . 1 . 1 115 115 GLN HB3 H 1 2.157 0.014 . 2 . . . . . 115 GLN HB3 . 52557 1 1260 . 1 . 1 115 115 GLN HG2 H 1 1.987 0.011 . 2 . . . . . 115 GLN HG2 . 52557 1 1261 . 1 . 1 115 115 GLN HG3 H 1 2.256 0.006 . 2 . . . . . 115 GLN HG3 . 52557 1 1262 . 1 . 1 115 115 GLN HE21 H 1 6.876 0.004 . 1 . . . . . 115 GLN HE21 . 52557 1 1263 . 1 . 1 115 115 GLN HE22 H 1 6.545 0.005 . 1 . . . . . 115 GLN HE22 . 52557 1 1264 . 1 . 1 115 115 GLN C C 13 171.551 0.000 . 1 . . . . . 115 GLN C . 52557 1 1265 . 1 . 1 115 115 GLN CA C 13 56.707 0.128 . 1 . . . . . 115 GLN CA . 52557 1 1266 . 1 . 1 115 115 GLN CB C 13 29.624 0.004 . 1 . . . . . 115 GLN CB . 52557 1 1267 . 1 . 1 115 115 GLN CG C 13 33.686 0.000 . 1 . . . . . 115 GLN CG . 52557 1 1268 . 1 . 1 115 115 GLN N N 15 131.821 0.036 . 1 . . . . . 115 GLN N . 52557 1 1269 . 1 . 1 115 115 GLN NE2 N 15 111.541 0.009 . 1 . . . . . 115 GLN NE2 . 52557 1 1270 . 1 . 1 116 116 VAL H H 1 8.836 0.005 . 1 . . . . . 116 VAL H . 52557 1 1271 . 1 . 1 116 116 VAL HA H 1 4.417 0.005 . 1 . . . . . 116 VAL HA . 52557 1 1272 . 1 . 1 116 116 VAL HB H 1 2.344 0.006 . 1 . . . . . 116 VAL HB . 52557 1 1273 . 1 . 1 116 116 VAL HG11 H 1 0.517 0.005 . 2 . . . . . 116 VAL HG11 . 52557 1 1274 . 1 . 1 116 116 VAL HG12 H 1 0.517 0.005 . 2 . . . . . 116 VAL HG12 . 52557 1 1275 . 1 . 1 116 116 VAL HG13 H 1 0.517 0.005 . 2 . . . . . 116 VAL HG13 . 52557 1 1276 . 1 . 1 116 116 VAL HG21 H 1 0.574 0.004 . 2 . . . . . 116 VAL HG21 . 52557 1 1277 . 1 . 1 116 116 VAL HG22 H 1 0.574 0.004 . 2 . . . . . 116 VAL HG22 . 52557 1 1278 . 1 . 1 116 116 VAL HG23 H 1 0.574 0.004 . 2 . . . . . 116 VAL HG23 . 52557 1 1279 . 1 . 1 116 116 VAL C C 13 175.521 0.000 . 1 . . . . . 116 VAL C . 52557 1 1280 . 1 . 1 116 116 VAL CA C 13 61.955 0.085 . 1 . . . . . 116 VAL CA . 52557 1 1281 . 1 . 1 116 116 VAL CB C 13 33.892 0.013 . 1 . . . . . 116 VAL CB . 52557 1 1282 . 1 . 1 116 116 VAL CG1 C 13 22.875 0.000 . 2 . . . . . 116 VAL CG1 . 52557 1 1283 . 1 . 1 116 116 VAL CG2 C 13 19.794 0.000 . 2 . . . . . 116 VAL CG2 . 52557 1 1284 . 1 . 1 116 116 VAL N N 15 128.740 0.036 . 1 . . . . . 116 VAL N . 52557 1 1285 . 1 . 1 117 117 THR H H 1 8.506 0.002 . 1 . . . . . 117 THR H . 52557 1 1286 . 1 . 1 117 117 THR HA H 1 4.582 0.005 . 1 . . . . . 117 THR HA . 52557 1 1287 . 1 . 1 117 117 THR HB H 1 3.865 0.000 . 1 . . . . . 117 THR HB . 52557 1 1288 . 1 . 1 117 117 THR HG21 H 1 1.096 0.008 . 1 . . . . . 117 THR HG21 . 52557 1 1289 . 1 . 1 117 117 THR HG22 H 1 1.096 0.008 . 1 . . . . . 117 THR HG22 . 52557 1 1290 . 1 . 1 117 117 THR HG23 H 1 1.096 0.008 . 1 . . . . . 117 THR HG23 . 52557 1 1291 . 1 . 1 117 117 THR C C 13 174.555 0.000 . 1 . . . . . 117 THR C . 52557 1 1292 . 1 . 1 117 117 THR CA C 13 61.961 0.115 . 1 . . . . . 117 THR CA . 52557 1 1293 . 1 . 1 117 117 THR CB C 13 70.369 0.008 . 1 . . . . . 117 THR CB . 52557 1 1294 . 1 . 1 117 117 THR CG2 C 13 21.941 0.000 . 1 . . . . . 117 THR CG2 . 52557 1 1295 . 1 . 1 117 117 THR N N 15 124.993 0.020 . 1 . . . . . 117 THR N . 52557 1 1296 . 1 . 1 118 118 VAL H H 1 8.449 0.002 . 1 . . . . . 118 VAL H . 52557 1 1297 . 1 . 1 118 118 VAL HA H 1 4.795 0.013 . 1 . . . . . 118 VAL HA . 52557 1 1298 . 1 . 1 118 118 VAL HB H 1 1.926 0.022 . 1 . . . . . 118 VAL HB . 52557 1 1299 . 1 . 1 118 118 VAL HG11 H 1 0.313 0.001 . 2 . . . . . 118 VAL HG11 . 52557 1 1300 . 1 . 1 118 118 VAL HG12 H 1 0.313 0.001 . 2 . . . . . 118 VAL HG12 . 52557 1 1301 . 1 . 1 118 118 VAL HG13 H 1 0.313 0.001 . 2 . . . . . 118 VAL HG13 . 52557 1 1302 . 1 . 1 118 118 VAL HG21 H 1 0.588 0.002 . 2 . . . . . 118 VAL HG21 . 52557 1 1303 . 1 . 1 118 118 VAL HG22 H 1 0.588 0.002 . 2 . . . . . 118 VAL HG22 . 52557 1 1304 . 1 . 1 118 118 VAL HG23 H 1 0.588 0.002 . 2 . . . . . 118 VAL HG23 . 52557 1 1305 . 1 . 1 118 118 VAL C C 13 171.577 0.000 . 1 . . . . . 118 VAL C . 52557 1 1306 . 1 . 1 118 118 VAL CA C 13 59.663 0.028 . 1 . . . . . 118 VAL CA . 52557 1 1307 . 1 . 1 118 118 VAL CB C 13 31.319 0.011 . 1 . . . . . 118 VAL CB . 52557 1 1308 . 1 . 1 118 118 VAL CG1 C 13 20.226 0.000 . 2 . . . . . 118 VAL CG1 . 52557 1 1309 . 1 . 1 118 118 VAL CG2 C 13 20.647 0.000 . 2 . . . . . 118 VAL CG2 . 52557 1 1310 . 1 . 1 118 118 VAL N N 15 128.724 0.031 . 1 . . . . . 118 VAL N . 52557 1 1311 . 1 . 1 119 119 SER H H 1 8.399 0.004 . 1 . . . . . 119 SER H . 52557 1 1312 . 1 . 1 119 119 SER HA H 1 4.547 0.002 . 1 . . . . . 119 SER HA . 52557 1 1313 . 1 . 1 119 119 SER HB2 H 1 3.490 0.017 . 2 . . . . . 119 SER HB2 . 52557 1 1314 . 1 . 1 119 119 SER HB3 H 1 3.738 0.005 . 2 . . . . . 119 SER HB3 . 52557 1 1315 . 1 . 1 119 119 SER C C 13 175.613 0.000 . 1 . . . . . 119 SER C . 52557 1 1316 . 1 . 1 119 119 SER CA C 13 57.194 0.046 . 1 . . . . . 119 SER CA . 52557 1 1317 . 1 . 1 119 119 SER CB C 13 64.808 0.033 . 1 . . . . . 119 SER CB . 52557 1 1318 . 1 . 1 119 119 SER N N 15 119.595 0.036 . 1 . . . . . 119 SER N . 52557 1 1319 . 1 . 1 120 120 SER H H 1 8.707 0.004 . 1 . . . . . 120 SER H . 52557 1 1320 . 1 . 1 120 120 SER HA H 1 4.450 0.013 . 1 . . . . . 120 SER HA . 52557 1 1321 . 1 . 1 120 120 SER HB2 H 1 3.862 0.023 . 2 . . . . . 120 SER HB2 . 52557 1 1322 . 1 . 1 120 120 SER HB3 H 1 3.786 0.024 . 2 . . . . . 120 SER HB3 . 52557 1 1323 . 1 . 1 120 120 SER C C 13 173.578 0.000 . 1 . . . . . 120 SER C . 52557 1 1324 . 1 . 1 120 120 SER CA C 13 58.808 0.000 . 1 . . . . . 120 SER CA . 52557 1 1325 . 1 . 1 120 120 SER CB C 13 63.866 0.004 . 1 . . . . . 120 SER CB . 52557 1 1326 . 1 . 1 120 120 SER N N 15 119.245 0.056 . 1 . . . . . 120 SER N . 52557 1 stop_ save_