################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7083 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 1H15N_HSQC 2 $sample_2 isotropic 7083 1 2 HNCACB 3 $sample_3 isotropic 7083 1 3 CBCA(CO)NH 3 $sample_3 isotropic 7083 1 4 1H_2DNOESY 1 $sample_1 isotropic 7083 1 5 1H_2D_TOCSY 1 $sample_1 isotropic 7083 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 $SPARKY . . 7083 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 ALA HA H 1 4.070 0.01 . 1 . . . . . 1 ALA HA . 7083 1 2 . 1 1 1 1 ALA HB1 H 1 1.583 0.01 . 1 . . . . . 1 ALA HB . 7083 1 3 . 1 1 1 1 ALA HB2 H 1 1.583 0.01 . 1 . . . . . 1 ALA HB . 7083 1 4 . 1 1 1 1 ALA HB3 H 1 1.583 0.01 . 1 . . . . . 1 ALA HB . 7083 1 5 . 1 1 1 1 ALA C C 13 171.66 0.1 . 1 . . . . . 1 ALA C . 7083 1 6 . 1 1 1 1 ALA CA C 13 49.697 0.05 . 1 . . . . . 1 ALA CA . 7083 1 7 . 1 1 1 1 ALA CB C 13 17.760 0.05 . 1 . . . . . 1 ALA CB . 7083 1 8 . 1 1 2 2 SER H H 1 8.503 0.01 . 1 . . . . . 2 SER H . 7083 1 9 . 1 1 2 2 SER HA H 1 4.266 0.01 . 1 . . . . . 2 SER HA . 7083 1 10 . 1 1 2 2 SER HB2 H 1 3.645 0.01 . 1 . . . . . 2 SER HB2 . 7083 1 11 . 1 1 2 2 SER HB3 H 1 3.565 0.01 . 1 . . . . . 2 SER HB3 . 7083 1 12 . 1 1 2 2 SER C C 13 170.49 0.1 . 1 . . . . . 2 SER C . 7083 1 13 . 1 1 2 2 SER CA C 13 55.644 0.05 . 1 . . . . . 2 SER CA . 7083 1 14 . 1 1 2 2 SER CB C 13 61.547 0.05 . 1 . . . . . 2 SER CB . 7083 1 15 . 1 1 2 2 SER N N 15 117.01 0.1 . 1 . . . . . 2 SER N . 7083 1 16 . 1 1 3 3 ILE H H 1 7.763 0.01 . 1 . . . . . 3 ILE H . 7083 1 17 . 1 1 3 3 ILE HA H 1 2.859 0.01 . 1 . . . . . 3 ILE HA . 7083 1 18 . 1 1 3 3 ILE HB H 1 1.131 0.01 . 1 . . . . . 3 ILE HB . 7083 1 19 . 1 1 3 3 ILE HG12 H 1 0.507 0.01 . 1 . . . . . 3 ILE HG12 . 7083 1 20 . 1 1 3 3 ILE HG21 H 1 0.281 0.01 . 1 . . . . . 3 ILE HG2 . 7083 1 21 . 1 1 3 3 ILE HG22 H 1 0.281 0.01 . 1 . . . . . 3 ILE HG2 . 7083 1 22 . 1 1 3 3 ILE HG23 H 1 0.281 0.01 . 1 . . . . . 3 ILE HG2 . 7083 1 23 . 1 1 3 3 ILE HD11 H 1 0.897 0.01 . 1 . . . . . 3 ILE HD1 . 7083 1 24 . 1 1 3 3 ILE HD12 H 1 0.897 0.01 . 1 . . . . . 3 ILE HD1 . 7083 1 25 . 1 1 3 3 ILE HD13 H 1 0.897 0.01 . 1 . . . . . 3 ILE HD1 . 7083 1 26 . 1 1 3 3 ILE C C 13 171.61 0.1 . 1 . . . . . 3 ILE C . 7083 1 27 . 1 1 3 3 ILE CA C 13 56.582 0.05 . 1 . . . . . 3 ILE CA . 7083 1 28 . 1 1 3 3 ILE CB C 13 36.609 0.05 . 1 . . . . . 3 ILE CB . 7083 1 29 . 1 1 3 3 ILE N N 15 122.99 0.1 . 1 . . . . . 3 ILE N . 7083 1 30 . 1 1 4 4 PRO HA H 1 3.981 0.01 . 1 . . . . . 4 PRO HA . 7083 1 31 . 1 1 4 4 PRO HB2 H 1 1.922 0.01 . 1 . . . . . 4 PRO HB2 . 7083 1 32 . 1 1 4 4 PRO HB3 H 1 1.445 0.01 . 1 . . . . . 4 PRO HB3 . 7083 1 33 . 1 1 4 4 PRO HG2 H 1 1.135 0.01 . 1 . . . . . 4 PRO HG2 . 7083 1 34 . 1 1 4 4 PRO HG3 H 1 0.937 0.01 . 1 . . . . . 4 PRO HG3 . 7083 1 35 . 1 1 4 4 PRO HD3 H 1 2.485 0.01 . 1 . . . . . 4 PRO HD3 . 7083 1 36 . 1 1 4 4 PRO C C 13 172.42 0.1 . 1 . . . . . 4 PRO C . 7083 1 37 . 1 1 4 4 PRO CA C 13 59.894 0.05 . 1 . . . . . 4 PRO CA . 7083 1 38 . 1 1 4 4 PRO CB C 13 29.293 0.05 . 1 . . . . . 4 PRO CB . 7083 1 39 . 1 1 5 5 SER H H 1 7.778 0.01 . 1 . . . . . 5 SER H . 7083 1 40 . 1 1 5 5 SER HA H 1 4.216 0.01 . 1 . . . . . 5 SER HA . 7083 1 41 . 1 1 5 5 SER HB2 H 1 3.691 0.01 . 1 . . . . . 5 SER HB2 . 7083 1 42 . 1 1 5 5 SER HB3 H 1 3.626 0.01 . 1 . . . . . 5 SER HB3 . 7083 1 43 . 1 1 5 5 SER C C 13 173.35 0.1 . 1 . . . . . 5 SER C . 7083 1 44 . 1 1 5 5 SER CA C 13 56.949 0.05 . 1 . . . . . 5 SER CA . 7083 1 45 . 1 1 5 5 SER CB C 13 61.472 0.05 . 1 . . . . . 5 SER CB . 7083 1 46 . 1 1 5 5 SER N N 15 112.11 0.1 . 1 . . . . . 5 SER N . 7083 1 47 . 1 1 6 6 SER H H 1 8.077 0.01 . 1 . . . . . 6 SER H . 7083 1 48 . 1 1 6 6 SER HA H 1 4.405 0.01 . 1 . . . . . 6 SER HA . 7083 1 49 . 1 1 6 6 SER HB2 H 1 3.642 0.01 . 1 . . . . . 6 SER HB2 . 7083 1 50 . 1 1 6 6 SER HB3 H 1 3.576 0.01 . 1 . . . . . 6 SER HB3 . 7083 1 51 . 1 1 6 6 SER C C 13 172.22 0.1 . 1 . . . . . 6 SER C . 7083 1 52 . 1 1 6 6 SER CA C 13 56.853 0.05 . 1 . . . . . 6 SER CA . 7083 1 53 . 1 1 6 6 SER CB C 13 62.709 0.05 . 1 . . . . . 6 SER CB . 7083 1 54 . 1 1 6 6 SER N N 15 113.19 0.1 . 1 . . . . . 6 SER N . 7083 1 55 . 1 1 7 7 ALA H H 1 8.057 0.01 . 1 . . . . . 7 ALA H . 7083 1 56 . 1 1 7 7 ALA HA H 1 4.185 0.01 . 1 . . . . . 7 ALA HA . 7083 1 57 . 1 1 7 7 ALA HB1 H 1 1.316 0.01 . 1 . . . . . 7 ALA HB . 7083 1 58 . 1 1 7 7 ALA HB2 H 1 1.316 0.01 . 1 . . . . . 7 ALA HB . 7083 1 59 . 1 1 7 7 ALA HB3 H 1 1.316 0.01 . 1 . . . . . 7 ALA HB . 7083 1 60 . 1 1 7 7 ALA C C 13 176.46 0.1 . 1 . . . . . 7 ALA C . 7083 1 61 . 1 1 7 7 ALA CA C 13 50.672 0.05 . 1 . . . . . 7 ALA CA . 7083 1 62 . 1 1 7 7 ALA CB C 13 17.581 0.05 . 1 . . . . . 7 ALA CB . 7083 1 63 . 1 1 7 7 ALA N N 15 125.09 0.1 . 1 . . . . . 7 ALA N . 7083 1 64 . 1 1 8 8 SER H H 1 8.813 0.01 . 1 . . . . . 8 SER H . 7083 1 65 . 1 1 8 8 SER HA H 1 3.935 0.01 . 1 . . . . . 8 SER HA . 7083 1 66 . 1 1 8 8 SER HB2 H 1 3.156 0.01 . 1 . . . . . 8 SER HB2 . 7083 1 67 . 1 1 8 8 SER HB3 H 1 3.042 0.01 . 1 . . . . . 8 SER HB3 . 7083 1 68 . 1 1 8 8 SER C C 13 169.48 0.1 . 1 . . . . . 8 SER C . 7083 1 69 . 1 1 8 8 SER CA C 13 59.340 0.05 . 1 . . . . . 8 SER CA . 7083 1 70 . 1 1 8 8 SER CB C 13 61.016 0.05 . 1 . . . . . 8 SER CB . 7083 1 71 . 1 1 8 8 SER N N 15 118.18 0.1 . 1 . . . . . 8 SER N . 7083 1 72 . 1 1 9 9 VAL H H 1 7.215 0.01 . 1 . . . . . 9 VAL H . 7083 1 73 . 1 1 9 9 VAL HA H 1 4.898 0.01 . 1 . . . . . 9 VAL HA . 7083 1 74 . 1 1 9 9 VAL HB H 1 1.952 0.01 . 1 . . . . . 9 VAL HB . 7083 1 75 . 1 1 9 9 VAL HG11 H 1 0.620 0.01 . 1 . . . . . 9 VAL HG1 . 7083 1 76 . 1 1 9 9 VAL HG12 H 1 0.620 0.01 . 1 . . . . . 9 VAL HG1 . 7083 1 77 . 1 1 9 9 VAL HG13 H 1 0.620 0.01 . 1 . . . . . 9 VAL HG1 . 7083 1 78 . 1 1 9 9 VAL HG21 H 1 0.600 0.01 . 1 . . . . . 9 VAL HG2 . 7083 1 79 . 1 1 9 9 VAL HG22 H 1 0.600 0.01 . 1 . . . . . 9 VAL HG2 . 7083 1 80 . 1 1 9 9 VAL HG23 H 1 0.600 0.01 . 1 . . . . . 9 VAL HG2 . 7083 1 81 . 1 1 9 9 VAL C C 13 169.96 0.1 . 1 . . . . . 9 VAL C . 7083 1 82 . 1 1 9 9 VAL CA C 13 56.456 0.05 . 1 . . . . . 9 VAL CA . 7083 1 83 . 1 1 9 9 VAL CB C 13 31.357 0.05 . 1 . . . . . 9 VAL CB . 7083 1 84 . 1 1 9 9 VAL N N 15 114.95 0.1 . 1 . . . . . 9 VAL N . 7083 1 85 . 1 1 10 10 GLN H H 1 8.817 0.01 . 1 . . . . . 10 GLN H . 7083 1 86 . 1 1 10 10 GLN HA H 1 4.661 0.01 . 1 . . . . . 10 GLN HA . 7083 1 87 . 1 1 10 10 GLN HB2 H 1 1.520 0.01 . 1 . . . . . 10 GLN HB2 . 7083 1 88 . 1 1 10 10 GLN HB3 H 1 1.937 0.01 . 1 . . . . . 10 GLN HB3 . 7083 1 89 . 1 1 10 10 GLN HG2 H 1 2.488 0.01 . 1 . . . . . 10 GLN HG2 . 7083 1 90 . 1 1 10 10 GLN HG3 H 1 2.262 0.01 . 1 . . . . . 10 GLN HG3 . 7083 1 91 . 1 1 10 10 GLN HE21 H 1 7.269 0.01 . 1 . . . . . 10 GLN HE21 . 7083 1 92 . 1 1 10 10 GLN HE22 H 1 6.871 0.01 . 1 . . . . . 10 GLN HE22 . 7083 1 93 . 1 1 10 10 GLN C C 13 172.07 0.1 . 1 . . . . . 10 GLN C . 7083 1 94 . 1 1 10 10 GLN CA C 13 52.891 0.05 . 1 . . . . . 10 GLN CA . 7083 1 95 . 1 1 10 10 GLN CB C 13 31.480 0.05 . 1 . . . . . 10 GLN CB . 7083 1 96 . 1 1 10 10 GLN N N 15 125.61 0.1 . 1 . . . . . 10 GLN N . 7083 1 97 . 1 1 10 10 GLN NE2 N 15 110.91 0.1 . 1 . . . . . 10 GLN NE2 . 7083 1 98 . 1 1 11 11 LEU H H 1 9.634 0.01 . 1 . . . . . 11 LEU H . 7083 1 99 . 1 1 11 11 LEU HA H 1 3.795 0.01 . 1 . . . . . 11 LEU HA . 7083 1 100 . 1 1 11 11 LEU HB2 H 1 1.659 0.01 . 1 . . . . . 11 LEU HB2 . 7083 1 101 . 1 1 11 11 LEU HB3 H 1 1.097 0.01 . 1 . . . . . 11 LEU HB3 . 7083 1 102 . 1 1 11 11 LEU HG H 1 1.195 0.01 . 1 . . . . . 11 LEU HG . 7083 1 103 . 1 1 11 11 LEU HD11 H 1 0.814 0.01 . 1 . . . . . 11 LEU HD1 . 7083 1 104 . 1 1 11 11 LEU HD12 H 1 0.814 0.01 . 1 . . . . . 11 LEU HD1 . 7083 1 105 . 1 1 11 11 LEU HD13 H 1 0.814 0.01 . 1 . . . . . 11 LEU HD1 . 7083 1 106 . 1 1 11 11 LEU HD21 H 1 0.116 0.01 . 1 . . . . . 11 LEU HD2 . 7083 1 107 . 1 1 11 11 LEU HD22 H 1 0.116 0.01 . 1 . . . . . 11 LEU HD2 . 7083 1 108 . 1 1 11 11 LEU HD23 H 1 0.116 0.01 . 1 . . . . . 11 LEU HD2 . 7083 1 109 . 1 1 11 11 LEU C C 13 173.05 0.1 . 1 . . . . . 11 LEU C . 7083 1 110 . 1 1 11 11 LEU CA C 13 55.140 0.05 . 1 . . . . . 11 LEU CA . 7083 1 111 . 1 1 11 11 LEU CB C 13 40.647 0.05 . 1 . . . . . 11 LEU CB . 7083 1 112 . 1 1 11 11 LEU N N 15 130.62 0.1 . 1 . . . . . 11 LEU N . 7083 1 113 . 1 1 12 12 ASP H H 1 8.817 0.01 . 1 . . . . . 12 ASP H . 7083 1 114 . 1 1 12 12 ASP HA H 1 4.756 0.01 . 1 . . . . . 12 ASP HA . 7083 1 115 . 1 1 12 12 ASP HB2 H 1 2.186 0.01 . 1 . . . . . 12 ASP HB2 . 7083 1 116 . 1 1 12 12 ASP HB3 H 1 1.753 0.01 . 1 . . . . . 12 ASP HB3 . 7083 1 117 . 1 1 12 12 ASP C C 13 172.25 0.1 . 1 . . . . . 12 ASP C . 7083 1 118 . 1 1 12 12 ASP CA C 13 52.846 0.05 . 1 . . . . . 12 ASP CA . 7083 1 119 . 1 1 12 12 ASP CB C 13 39.149 0.05 . 1 . . . . . 12 ASP CB . 7083 1 120 . 1 1 12 12 ASP N N 15 125.80 0.1 . 1 . . . . . 12 ASP N . 7083 1 121 . 1 1 13 13 SER H H 1 7.447 0.01 . 1 . . . . . 13 SER H . 7083 1 122 . 1 1 13 13 SER HA H 1 4.493 0.01 . 1 . . . . . 13 SER HA . 7083 1 123 . 1 1 13 13 SER HB2 H 1 3.531 0.01 . 1 . . . . . 13 SER HB2 . 7083 1 124 . 1 1 13 13 SER HB3 H 1 3.556 0.01 . 1 . . . . . 13 SER HB3 . 7083 1 125 . 1 1 13 13 SER C C 13 169.30 0.1 . 1 . . . . . 13 SER C . 7083 1 126 . 1 1 13 13 SER CA C 13 54.373 0.05 . 1 . . . . . 13 SER CA . 7083 1 127 . 1 1 13 13 SER CB C 13 62.855 0.05 . 1 . . . . . 13 SER CB . 7083 1 128 . 1 1 13 13 SER N N 15 107.69 0.1 . 1 . . . . . 13 SER N . 7083 1 129 . 1 1 14 14 TYR H H 1 8.098 0.01 . 1 . . . . . 14 TYR H . 7083 1 130 . 1 1 14 14 TYR HA H 1 5.277 0.01 . 1 . . . . . 14 TYR HA . 7083 1 131 . 1 1 14 14 TYR HB2 H 1 2.982 0.01 . 1 . . . . . 14 TYR HB2 . 7083 1 132 . 1 1 14 14 TYR HB3 H 1 2.752 0.01 . 1 . . . . . 14 TYR HB3 . 7083 1 133 . 1 1 14 14 TYR HD1 H 1 6.878 0.01 . 1 . . . . . 14 TYR HD1 . 7083 1 134 . 1 1 14 14 TYR HD2 H 1 6.877 0.01 . 1 . . . . . 14 TYR HD2 . 7083 1 135 . 1 1 14 14 TYR HE1 H 1 6.811 0.01 . 1 . . . . . 14 TYR HE1 . 7083 1 136 . 1 1 14 14 TYR HE2 H 1 6.811 0.01 . 1 . . . . . 14 TYR HE2 . 7083 1 137 . 1 1 14 14 TYR C C 13 170.51 0.1 . 1 . . . . . 14 TYR C . 7083 1 138 . 1 1 14 14 TYR CA C 13 54.078 0.05 . 1 . . . . . 14 TYR CA . 7083 1 139 . 1 1 14 14 TYR CB C 13 39.324 0.05 . 1 . . . . . 14 TYR CB . 7083 1 140 . 1 1 14 14 TYR N N 15 114.89 0.1 . 1 . . . . . 14 TYR N . 7083 1 141 . 1 1 15 15 ASN H H 1 9.321 0.01 . 1 . . . . . 15 ASN H . 7083 1 142 . 1 1 15 15 ASN HA H 1 4.578 0.01 . 1 . . . . . 15 ASN HA . 7083 1 143 . 1 1 15 15 ASN HB2 H 1 2.333 0.01 . 1 . . . . . 15 ASN HB2 . 7083 1 144 . 1 1 15 15 ASN HB3 H 1 2.224 0.01 . 1 . . . . . 15 ASN HB3 . 7083 1 145 . 1 1 15 15 ASN HD21 H 1 7.324 0.01 . 1 . . . . . 15 ASN HD21 . 7083 1 146 . 1 1 15 15 ASN HD22 H 1 6.633 0.01 . 1 . . . . . 15 ASN HD22 . 7083 1 147 . 1 1 15 15 ASN C C 13 170.89 0.1 . 1 . . . . . 15 ASN C . 7083 1 148 . 1 1 15 15 ASN CA C 13 50.781 0.05 . 1 . . . . . 15 ASN CA . 7083 1 149 . 1 1 15 15 ASN CB C 13 41.211 0.05 . 1 . . . . . 15 ASN CB . 7083 1 150 . 1 1 15 15 ASN N N 15 118.01 0.1 . 1 . . . . . 15 ASN N . 7083 1 151 . 1 1 15 15 ASN ND2 N 15 113.18 0.1 . 1 . . . . . 15 ASN ND2 . 7083 1 152 . 1 1 16 16 TYR H H 1 8.686 0.01 . 1 . . . . . 16 TYR H . 7083 1 153 . 1 1 16 16 TYR HA H 1 5.573 0.01 . 1 . . . . . 16 TYR HA . 7083 1 154 . 1 1 16 16 TYR HB2 H 1 2.961 0.01 . 1 . . . . . 16 TYR HB2 . 7083 1 155 . 1 1 16 16 TYR HB3 H 1 2.854 0.01 . 1 . . . . . 16 TYR HB3 . 7083 1 156 . 1 1 16 16 TYR HD1 H 1 6.913 0.01 . 1 . . . . . 16 TYR HD1 . 7083 1 157 . 1 1 16 16 TYR HE1 H 1 6.562 0.01 . 1 . . . . . 16 TYR HE1 . 7083 1 158 . 1 1 16 16 TYR C C 13 172.06 0.1 . 1 . . . . . 16 TYR C . 7083 1 159 . 1 1 16 16 TYR CA C 13 54.665 0.05 . 1 . . . . . 16 TYR CA . 7083 1 160 . 1 1 16 16 TYR CB C 13 38.974 0.05 . 1 . . . . . 16 TYR CB . 7083 1 161 . 1 1 16 16 TYR N N 15 122.01 0.1 . 1 . . . . . 16 TYR N . 7083 1 162 . 1 1 17 17 ASP H H 1 7.304 0.01 . 1 . . . . . 17 ASP H . 7083 1 163 . 1 1 17 17 ASP HA H 1 4.535 0.01 . 1 . . . . . 17 ASP HA . 7083 1 164 . 1 1 17 17 ASP HB2 H 1 2.918 0.01 . 1 . . . . . 17 ASP HB2 . 7083 1 165 . 1 1 17 17 ASP HB3 H 1 2.267 0.01 . 1 . . . . . 17 ASP HB3 . 7083 1 166 . 1 1 17 17 ASP C C 13 174.38 0.1 . 1 . . . . . 17 ASP C . 7083 1 167 . 1 1 17 17 ASP CA C 13 50.026 0.05 . 1 . . . . . 17 ASP CA . 7083 1 168 . 1 1 17 17 ASP CB C 13 39.241 0.05 . 1 . . . . . 17 ASP CB . 7083 1 169 . 1 1 17 17 ASP N N 15 125.92 0.1 . 1 . . . . . 17 ASP N . 7083 1 170 . 1 1 18 18 GLY H H 1 7.266 0.01 . 9 . . . . . 18 GLY H . 7083 1 171 . 1 1 18 18 GLY HA2 H 1 4.077 0.01 . 9 . . . . . 18 GLY HA2 . 7083 1 172 . 1 1 18 18 GLY HA3 H 1 2.878 0.01 . 9 . . . . . 18 GLY HA3 . 7083 1 173 . 1 1 18 18 GLY C C 13 170.76 0.1 . 9 . . . . . 18 GLY C . 7083 1 174 . 1 1 18 18 GLY CA C 13 43.160 0.05 . 9 . . . . . 18 GLY CA . 7083 1 175 . 1 1 18 18 GLY N N 15 102.20 0.1 . 9 . . . . . 18 GLY N . 7083 1 176 . 1 1 19 19 SER H H 1 7.965 0.01 . 1 . . . . . 19 SER H . 7083 1 177 . 1 1 19 19 SER HA H 1 4.483 0.01 . 1 . . . . . 19 SER HA . 7083 1 178 . 1 1 19 19 SER HB2 H 1 3.569 0.01 . 1 . . . . . 19 SER HB2 . 7083 1 179 . 1 1 19 19 SER HB3 H 1 3.531 0.01 . 1 . . . . . 19 SER HB3 . 7083 1 180 . 1 1 19 19 SER C C 13 171.07 0.1 . 1 . . . . . 19 SER C . 7083 1 181 . 1 1 19 19 SER CA C 13 57.985 0.05 . 1 . . . . . 19 SER CA . 7083 1 182 . 1 1 19 19 SER CB C 13 62.799 0.05 . 1 . . . . . 19 SER CB . 7083 1 183 . 1 1 19 19 SER N N 15 114.32 0.1 . 1 . . . . . 19 SER N . 7083 1 184 . 1 1 20 20 THR H H 1 9.700 0.01 . 1 . . . . . 20 THR H . 7083 1 185 . 1 1 20 20 THR HA H 1 4.688 0.01 . 1 . . . . . 20 THR HA . 7083 1 186 . 1 1 20 20 THR HB H 1 3.706 0.01 . 1 . . . . . 20 THR HB . 7083 1 187 . 1 1 20 20 THR HG21 H 1 0.816 0.01 . 1 . . . . . 20 THR HG2 . 7083 1 188 . 1 1 20 20 THR HG22 H 1 0.816 0.01 . 1 . . . . . 20 THR HG2 . 7083 1 189 . 1 1 20 20 THR HG23 H 1 0.816 0.01 . 1 . . . . . 20 THR HG2 . 7083 1 190 . 1 1 20 20 THR C C 13 171.34 0.1 . 1 . . . . . 20 THR C . 7083 1 191 . 1 1 20 20 THR CA C 13 60.593 0.05 . 1 . . . . . 20 THR CA . 7083 1 192 . 1 1 20 20 THR CB C 13 67.118 0.05 . 1 . . . . . 20 THR CB . 7083 1 193 . 1 1 20 20 THR N N 15 121.00 0.1 . 1 . . . . . 20 THR N . 7083 1 194 . 1 1 21 21 PHE H H 1 9.280 0.01 . 1 . . . . . 21 PHE H . 7083 1 195 . 1 1 21 21 PHE HA H 1 5.764 0.01 . 1 . . . . . 21 PHE HA . 7083 1 196 . 1 1 21 21 PHE HB2 H 1 2.724 0.01 . 1 . . . . . 21 PHE HB2 . 7083 1 197 . 1 1 21 21 PHE HB3 H 1 2.703 0.01 . 1 . . . . . 21 PHE HB3 . 7083 1 198 . 1 1 21 21 PHE HD1 H 1 6.652 0.01 . 1 . . . . . 21 PHE HD1 . 7083 1 199 . 1 1 21 21 PHE HE1 H 1 6.041 0.01 . 1 . . . . . 21 PHE HE1 . 7083 1 200 . 1 1 21 21 PHE C C 13 170.09 0.1 . 1 . . . . . 21 PHE C . 7083 1 201 . 1 1 21 21 PHE CA C 13 51.343 0.05 . 1 . . . . . 21 PHE CA . 7083 1 202 . 1 1 21 21 PHE CB C 13 39.678 0.05 . 1 . . . . . 21 PHE CB . 7083 1 203 . 1 1 21 21 PHE N N 15 132.31 0.1 . 1 . . . . . 21 PHE N . 7083 1 204 . 1 1 22 22 SER H H 1 8.838 0.01 . 1 . . . . . 22 SER H . 7083 1 205 . 1 1 22 22 SER HA H 1 4.379 0.01 . 1 . . . . . 22 SER HA . 7083 1 206 . 1 1 22 22 SER HB2 H 1 3.592 0.01 . 1 . . . . . 22 SER HB2 . 7083 1 207 . 1 1 22 22 SER HB3 H 1 3.420 0.01 . 1 . . . . . 22 SER HB3 . 7083 1 208 . 1 1 22 22 SER C C 13 169.49 0.1 . 1 . . . . . 22 SER C . 7083 1 209 . 1 1 22 22 SER CA C 13 53.974 0.05 . 1 . . . . . 22 SER CA . 7083 1 210 . 1 1 22 22 SER CB C 13 64.780 0.05 . 1 . . . . . 22 SER CB . 7083 1 211 . 1 1 22 22 SER N N 15 121.04 0.1 . 1 . . . . . 22 SER N . 7083 1 212 . 1 1 23 23 GLY H H 1 6.444 0.01 . 1 . . . . . 23 GLY H . 7083 1 213 . 1 1 23 23 GLY HA2 H 1 3.619 0.01 . 1 . . . . . 23 GLY HA2 . 7083 1 214 . 1 1 23 23 GLY HA3 H 1 3.420 0.01 . 1 . . . . . 23 GLY HA3 . 7083 1 215 . 1 1 23 23 GLY C C 13 169.13 0.1 . 1 . . . . . 23 GLY C . 7083 1 216 . 1 1 23 23 GLY CA C 13 44.996 0.05 . 1 . . . . . 23 GLY CA . 7083 1 217 . 1 1 23 23 GLY N N 15 102.72 0.1 . 1 . . . . . 23 GLY N . 7083 1 218 . 1 1 24 24 LYS H H 1 8.204 0.01 . 1 . . . . . 24 LYS H . 7083 1 219 . 1 1 24 24 LYS HA H 1 4.833 0.01 . 1 . . . . . 24 LYS HA . 7083 1 220 . 1 1 24 24 LYS HB2 H 1 1.272 0.01 . 1 . . . . . 24 LYS HB2 . 7083 1 221 . 1 1 24 24 LYS HG2 H 1 0.812 0.01 . 1 . . . . . 24 LYS HG2 . 7083 1 222 . 1 1 24 24 LYS C C 13 172.66 0.1 . 1 . . . . . 24 LYS C . 7083 1 223 . 1 1 24 24 LYS CA C 13 52.981 0.05 . 1 . . . . . 24 LYS CA . 7083 1 224 . 1 1 24 24 LYS CB C 13 34.252 0.05 . 1 . . . . . 24 LYS CB . 7083 1 225 . 1 1 24 24 LYS N N 15 117.20 0.1 . 1 . . . . . 24 LYS N . 7083 1 226 . 1 1 25 25 ILE H H 1 9.390 0.01 . 1 . . . . . 25 ILE H . 7083 1 227 . 1 1 25 25 ILE HA H 1 4.068 0.01 . 1 . . . . . 25 ILE HA . 7083 1 228 . 1 1 25 25 ILE HB H 1 1.457 0.01 . 1 . . . . . 25 ILE HB . 7083 1 229 . 1 1 25 25 ILE HG12 H 1 0.653 0.01 . 1 . . . . . 25 ILE HG12 . 7083 1 230 . 1 1 25 25 ILE HG21 H 1 0.572 0.01 . 1 . . . . . 25 ILE HG2 . 7083 1 231 . 1 1 25 25 ILE HG22 H 1 0.572 0.01 . 1 . . . . . 25 ILE HG2 . 7083 1 232 . 1 1 25 25 ILE HG23 H 1 0.572 0.01 . 1 . . . . . 25 ILE HG2 . 7083 1 233 . 1 1 25 25 ILE HD11 H 1 0.447 0.01 . 1 . . . . . 25 ILE HD1 . 7083 1 234 . 1 1 25 25 ILE HD12 H 1 0.447 0.01 . 1 . . . . . 25 ILE HD1 . 7083 1 235 . 1 1 25 25 ILE HD13 H 1 0.447 0.01 . 1 . . . . . 25 ILE HD1 . 7083 1 236 . 1 1 25 25 ILE C C 13 172.78 0.1 . 1 . . . . . 25 ILE C . 7083 1 237 . 1 1 25 25 ILE CA C 13 59.157 0.05 . 1 . . . . . 25 ILE CA . 7083 1 238 . 1 1 25 25 ILE CB C 13 41.379 0.05 . 1 . . . . . 25 ILE CB . 7083 1 239 . 1 1 25 25 ILE N N 15 123.79 0.1 . 1 . . . . . 25 ILE N . 7083 1 240 . 1 1 26 26 TYR H H 1 9.124 0.01 . 1 . . . . . 26 TYR H . 7083 1 241 . 1 1 26 26 TYR HA H 1 4.826 0.01 . 1 . . . . . 26 TYR HA . 7083 1 242 . 1 1 26 26 TYR HB2 H 1 2.930 0.01 . 1 . . . . . 26 TYR HB2 . 7083 1 243 . 1 1 26 26 TYR HB3 H 1 2.380 0.01 . 1 . . . . . 26 TYR HB3 . 7083 1 244 . 1 1 26 26 TYR HD1 H 1 6.494 0.01 . 1 . . . . . 26 TYR HD1 . 7083 1 245 . 1 1 26 26 TYR HE1 H 1 6.365 0.01 . 1 . . . . . 26 TYR HE1 . 7083 1 246 . 1 1 26 26 TYR C C 13 173.47 0.1 . 1 . . . . . 26 TYR C . 7083 1 247 . 1 1 26 26 TYR CA C 13 55.904 0.05 . 1 . . . . . 26 TYR CA . 7083 1 248 . 1 1 26 26 TYR CB C 13 37.457 0.05 . 1 . . . . . 26 TYR CB . 7083 1 249 . 1 1 26 26 TYR N N 15 124.20 0.1 . 1 . . . . . 26 TYR N . 7083 1 250 . 1 1 27 27 VAL H H 1 9.149 0.01 . 1 . . . . . 27 VAL H . 7083 1 251 . 1 1 27 27 VAL HA H 1 4.013 0.01 . 1 . . . . . 27 VAL HA . 7083 1 252 . 1 1 27 27 VAL HB H 1 1.464 0.01 . 1 . . . . . 27 VAL HB . 7083 1 253 . 1 1 27 27 VAL HG11 H 1 0.052 0.01 . 1 . . . . . 27 VAL HG1 . 7083 1 254 . 1 1 27 27 VAL HG12 H 1 0.052 0.01 . 1 . . . . . 27 VAL HG1 . 7083 1 255 . 1 1 27 27 VAL HG13 H 1 0.052 0.01 . 1 . . . . . 27 VAL HG1 . 7083 1 256 . 1 1 27 27 VAL HG21 H 1 -0.448 0.01 . 1 . . . . . 27 VAL HG2 . 7083 1 257 . 1 1 27 27 VAL HG22 H 1 -0.448 0.01 . 1 . . . . . 27 VAL HG2 . 7083 1 258 . 1 1 27 27 VAL HG23 H 1 -0.448 0.01 . 1 . . . . . 27 VAL HG2 . 7083 1 259 . 1 1 27 27 VAL C C 13 172.67 0.1 . 1 . . . . . 27 VAL C . 7083 1 260 . 1 1 27 27 VAL CA C 13 58.984 0.05 . 1 . . . . . 27 VAL CA . 7083 1 261 . 1 1 27 27 VAL CB C 13 33.195 0.05 . 1 . . . . . 27 VAL CB . 7083 1 262 . 1 1 27 27 VAL N N 15 122.90 0.1 . 1 . . . . . 27 VAL N . 7083 1 263 . 1 1 28 28 LYS H H 1 8.590 0.01 . 1 . . . . . 28 LYS H . 7083 1 264 . 1 1 28 28 LYS HA H 1 3.146 0.01 . 1 . . . . . 28 LYS HA . 7083 1 265 . 1 1 28 28 LYS HB2 H 1 1.430 0.01 . 1 . . . . . 28 LYS HB2 . 7083 1 266 . 1 1 28 28 LYS HG2 H 1 1.145 0.01 . 1 . . . . . 28 LYS HG2 . 7083 1 267 . 1 1 28 28 LYS HZ1 H 1 8.691 0.01 . 1 . . . . . 28 LYS HZ . 7083 1 268 . 1 1 28 28 LYS HZ2 H 1 8.691 0.01 . 1 . . . . . 28 LYS HZ . 7083 1 269 . 1 1 28 28 LYS HZ3 H 1 8.691 0.01 . 1 . . . . . 28 LYS HZ . 7083 1 270 . 1 1 28 28 LYS C C 13 174.93 0.1 . 1 . . . . . 28 LYS C . 7083 1 271 . 1 1 28 28 LYS CA C 13 54.984 0.05 . 1 . . . . . 28 LYS CA . 7083 1 272 . 1 1 28 28 LYS CB C 13 31.618 0.05 . 1 . . . . . 28 LYS CB . 7083 1 273 . 1 1 28 28 LYS N N 15 128.97 0.1 . 1 . . . . . 28 LYS N . 7083 1 274 . 1 1 28 28 LYS NZ N 15 117.51 0.1 . 1 . . . . . 28 LYS NZ . 7083 1 275 . 1 1 29 29 ASN H H 1 9.049 0.01 . 1 . . . . . 29 ASN H . 7083 1 276 . 1 1 29 29 ASN HA H 1 4.372 0.01 . 1 . . . . . 29 ASN HA . 7083 1 277 . 1 1 29 29 ASN HB2 H 1 2.781 0.01 . 1 . . . . . 29 ASN HB2 . 7083 1 278 . 1 1 29 29 ASN HB3 H 1 2.083 0.01 . 1 . . . . . 29 ASN HB3 . 7083 1 279 . 1 1 29 29 ASN HD21 H 1 7.517 0.01 . 1 . . . . . 29 ASN HD21 . 7083 1 280 . 1 1 29 29 ASN HD22 H 1 6.427 0.01 . 1 . . . . . 29 ASN HD22 . 7083 1 281 . 1 1 29 29 ASN C C 13 172.26 0.1 . 1 . . . . . 29 ASN C . 7083 1 282 . 1 1 29 29 ASN CA C 13 50.209 0.05 . 1 . . . . . 29 ASN CA . 7083 1 283 . 1 1 29 29 ASN CB C 13 33.468 0.05 . 1 . . . . . 29 ASN CB . 7083 1 284 . 1 1 29 29 ASN N N 15 128.03 0.1 . 1 . . . . . 29 ASN N . 7083 1 285 . 1 1 29 29 ASN ND2 N 15 110.93 0.1 . 1 . . . . . 29 ASN ND2 . 7083 1 286 . 1 1 30 30 ILE H H 1 7.444 0.01 . 1 . . . . . 30 ILE H . 7083 1 287 . 1 1 30 30 ILE HA H 1 3.507 0.01 . 1 . . . . . 30 ILE HA . 7083 1 288 . 1 1 30 30 ILE HB H 1 1.385 0.01 . 1 . . . . . 30 ILE HB . 7083 1 289 . 1 1 30 30 ILE HG12 H 1 1.080 0.01 . 1 . . . . . 30 ILE HG12 . 7083 1 290 . 1 1 30 30 ILE HG13 H 1 0.790 0.01 . 1 . . . . . 30 ILE HG13 . 7083 1 291 . 1 1 30 30 ILE HG21 H 1 0.672 0.01 . 1 . . . . . 30 ILE HG2 . 7083 1 292 . 1 1 30 30 ILE HG22 H 1 0.672 0.01 . 1 . . . . . 30 ILE HG2 . 7083 1 293 . 1 1 30 30 ILE HG23 H 1 0.672 0.01 . 1 . . . . . 30 ILE HG2 . 7083 1 294 . 1 1 30 30 ILE HD11 H 1 0.537 0.01 . 1 . . . . . 30 ILE HD1 . 7083 1 295 . 1 1 30 30 ILE HD12 H 1 0.537 0.01 . 1 . . . . . 30 ILE HD1 . 7083 1 296 . 1 1 30 30 ILE HD13 H 1 0.537 0.01 . 1 . . . . . 30 ILE HD1 . 7083 1 297 . 1 1 30 30 ILE C C 13 172.56 0.1 . 1 . . . . . 30 ILE C . 7083 1 298 . 1 1 30 30 ILE CA C 13 61.136 0.05 . 1 . . . . . 30 ILE CA . 7083 1 299 . 1 1 30 30 ILE CB C 13 37.950 0.05 . 1 . . . . . 30 ILE CB . 7083 1 300 . 1 1 30 30 ILE N N 15 124.97 0.1 . 1 . . . . . 30 ILE N . 7083 1 301 . 1 1 31 31 ALA H H 1 7.132 0.01 . 1 . . . . . 31 ALA H . 7083 1 302 . 1 1 31 31 ALA HA H 1 4.161 0.01 . 1 . . . . . 31 ALA HA . 7083 1 303 . 1 1 31 31 ALA HB1 H 1 1.170 0.01 . 1 . . . . . 31 ALA HB . 7083 1 304 . 1 1 31 31 ALA HB2 H 1 1.170 0.01 . 1 . . . . . 31 ALA HB . 7083 1 305 . 1 1 31 31 ALA HB3 H 1 1.170 0.01 . 1 . . . . . 31 ALA HB . 7083 1 306 . 1 1 31 31 ALA C C 13 173.41 0.1 . 1 . . . . . 31 ALA C . 7083 1 307 . 1 1 31 31 ALA CA C 13 48.645 0.05 . 1 . . . . . 31 ALA CA . 7083 1 308 . 1 1 31 31 ALA CB C 13 18.888 0.05 . 1 . . . . . 31 ALA CB . 7083 1 309 . 1 1 31 31 ALA N N 15 117.72 0.1 . 1 . . . . . 31 ALA N . 7083 1 310 . 1 1 32 32 TYR H H 1 8.059 0.01 . 1 . . . . . 32 TYR H . 7083 1 311 . 1 1 32 32 TYR HA H 1 4.146 0.01 . 1 . . . . . 32 TYR HA . 7083 1 312 . 1 1 32 32 TYR HB2 H 1 2.900 0.01 . 1 . . . . . 32 TYR HB2 . 7083 1 313 . 1 1 32 32 TYR HB3 H 1 2.776 0.01 . 1 . . . . . 32 TYR HB3 . 7083 1 314 . 1 1 32 32 TYR HD1 H 1 6.949 0.01 . 1 . . . . . 32 TYR HD1 . 7083 1 315 . 1 1 32 32 TYR HE1 H 1 6.594 0.01 . 1 . . . . . 32 TYR HE1 . 7083 1 316 . 1 1 32 32 TYR C C 13 174.71 0.1 . 1 . . . . . 32 TYR C . 7083 1 317 . 1 1 32 32 TYR CA C 13 58.918 0.05 . 1 . . . . . 32 TYR CA . 7083 1 318 . 1 1 32 32 TYR CB C 13 36.858 0.05 . 1 . . . . . 32 TYR CB . 7083 1 319 . 1 1 32 32 TYR N N 15 117.32 0.1 . 1 . . . . . 32 TYR N . 7083 1 320 . 1 1 33 33 SER H H 1 8.060 0.01 . 1 . . . . . 33 SER H . 7083 1 321 . 1 1 33 33 SER HA H 1 4.216 0.01 . 1 . . . . . 33 SER HA . 7083 1 322 . 1 1 33 33 SER HB2 H 1 3.748 0.01 . 1 . . . . . 33 SER HB2 . 7083 1 323 . 1 1 33 33 SER HB3 H 1 3.651 0.01 . 1 . . . . . 33 SER HB3 . 7083 1 324 . 1 1 33 33 SER C C 13 171.37 0.1 . 1 . . . . . 33 SER C . 7083 1 325 . 1 1 33 33 SER CA C 13 56.084 0.05 . 1 . . . . . 33 SER CA . 7083 1 326 . 1 1 33 33 SER CB C 13 60.133 0.05 . 1 . . . . . 33 SER CB . 7083 1 327 . 1 1 33 33 SER N N 15 114.01 0.1 . 1 . . . . . 33 SER N . 7083 1 328 . 1 1 34 34 LYS H H 1 8.075 0.01 . 1 . . . . . 34 LYS H . 7083 1 329 . 1 1 34 34 LYS HA H 1 4.661 0.01 . 1 . . . . . 34 LYS HA . 7083 1 330 . 1 1 34 34 LYS HB2 H 1 1.749 0.01 . 1 . . . . . 34 LYS HB2 . 7083 1 331 . 1 1 34 34 LYS HB3 H 1 1.777 0.01 . 1 . . . . . 34 LYS HB3 . 7083 1 332 . 1 1 34 34 LYS HG2 H 1 1.184 0.01 . 1 . . . . . 34 LYS HG2 . 7083 1 333 . 1 1 34 34 LYS HG3 H 1 1.153 0.01 . 1 . . . . . 34 LYS HG3 . 7083 1 334 . 1 1 34 34 LYS HD2 H 1 1.599 0.01 . 1 . . . . . 34 LYS HD2 . 7083 1 335 . 1 1 34 34 LYS HD3 H 1 1.460 0.01 . 1 . . . . . 34 LYS HD3 . 7083 1 336 . 1 1 34 34 LYS C C 13 173.39 0.1 . 1 . . . . . 34 LYS C . 7083 1 337 . 1 1 34 34 LYS CA C 13 53.520 0.05 . 1 . . . . . 34 LYS CA . 7083 1 338 . 1 1 34 34 LYS CB C 13 36.116 0.05 . 1 . . . . . 34 LYS CB . 7083 1 339 . 1 1 34 34 LYS N N 15 124.90 0.1 . 1 . . . . . 34 LYS N . 7083 1 340 . 1 1 35 35 LYS H H 1 8.067 0.01 . 1 . . . . . 35 LYS H . 7083 1 341 . 1 1 35 35 LYS HA H 1 4.366 0.01 . 1 . . . . . 35 LYS HA . 7083 1 342 . 1 1 35 35 LYS HB2 H 1 1.646 0.01 . 1 . . . . . 35 LYS HB2 . 7083 1 343 . 1 1 35 35 LYS HB3 H 1 1.566 0.01 . 1 . . . . . 35 LYS HB3 . 7083 1 344 . 1 1 35 35 LYS HG2 H 1 1.235 0.01 . 1 . . . . . 35 LYS HG2 . 7083 1 345 . 1 1 35 35 LYS HG3 H 1 1.209 0.01 . 1 . . . . . 35 LYS HG3 . 7083 1 346 . 1 1 35 35 LYS HD2 H 1 1.492 0.01 . 1 . . . . . 35 LYS HD2 . 7083 1 347 . 1 1 35 35 LYS HE2 H 1 2.744 0.01 . 1 . . . . . 35 LYS HE2 . 7083 1 348 . 1 1 35 35 LYS C C 13 172.85 0.1 . 1 . . . . . 35 LYS C . 7083 1 349 . 1 1 35 35 LYS CA C 13 54.439 0.05 . 1 . . . . . 35 LYS CA . 7083 1 350 . 1 1 35 35 LYS CB C 13 33.331 0.05 . 1 . . . . . 35 LYS CB . 7083 1 351 . 1 1 35 35 LYS N N 15 119.79 0.1 . 1 . . . . . 35 LYS N . 7083 1 352 . 1 1 36 36 VAL H H 1 8.754 0.01 . 1 . . . . . 36 VAL H . 7083 1 353 . 1 1 36 36 VAL HA H 1 4.598 0.01 . 1 . . . . . 36 VAL HA . 7083 1 354 . 1 1 36 36 VAL HB H 1 1.503 0.01 . 1 . . . . . 36 VAL HB . 7083 1 355 . 1 1 36 36 VAL HG11 H 1 0.220 0.01 . 1 . . . . . 36 VAL HG1 . 7083 1 356 . 1 1 36 36 VAL HG12 H 1 0.220 0.01 . 1 . . . . . 36 VAL HG1 . 7083 1 357 . 1 1 36 36 VAL HG13 H 1 0.220 0.01 . 1 . . . . . 36 VAL HG1 . 7083 1 358 . 1 1 36 36 VAL HG21 H 1 -0.644 0.01 . 1 . . . . . 36 VAL HG2 . 7083 1 359 . 1 1 36 36 VAL HG22 H 1 -0.644 0.01 . 1 . . . . . 36 VAL HG2 . 7083 1 360 . 1 1 36 36 VAL HG23 H 1 -0.644 0.01 . 1 . . . . . 36 VAL HG2 . 7083 1 361 . 1 1 36 36 VAL C C 13 171.53 0.1 . 1 . . . . . 36 VAL C . 7083 1 362 . 1 1 36 36 VAL CA C 13 59.312 0.05 . 1 . . . . . 36 VAL CA . 7083 1 363 . 1 1 36 36 VAL CB C 13 31.023 0.05 . 1 . . . . . 36 VAL CB . 7083 1 364 . 1 1 36 36 VAL N N 15 129.69 0.1 . 1 . . . . . 36 VAL N . 7083 1 365 . 1 1 37 37 THR H H 1 9.167 0.01 . 1 . . . . . 37 THR H . 7083 1 366 . 1 1 37 37 THR HA H 1 4.849 0.01 . 1 . . . . . 37 THR HA . 7083 1 367 . 1 1 37 37 THR HB H 1 3.649 0.01 . 1 . . . . . 37 THR HB . 7083 1 368 . 1 1 37 37 THR HG21 H 1 0.941 0.01 . 1 . . . . . 37 THR HG2 . 7083 1 369 . 1 1 37 37 THR HG22 H 1 0.941 0.01 . 1 . . . . . 37 THR HG2 . 7083 1 370 . 1 1 37 37 THR HG23 H 1 0.941 0.01 . 1 . . . . . 37 THR HG2 . 7083 1 371 . 1 1 37 37 THR C C 13 170.03 0.1 . 1 . . . . . 37 THR C . 7083 1 372 . 1 1 37 37 THR CA C 13 57.850 0.05 . 1 . . . . . 37 THR CA . 7083 1 373 . 1 1 37 37 THR CB C 13 70.185 0.05 . 1 . . . . . 37 THR CB . 7083 1 374 . 1 1 37 37 THR N N 15 120.14 0.1 . 1 . . . . . 37 THR N . 7083 1 375 . 1 1 38 38 VAL H H 1 9.060 0.01 . 1 . . . . . 38 VAL H . 7083 1 376 . 1 1 38 38 VAL HA H 1 4.143 0.01 . 1 . . . . . 38 VAL HA . 7083 1 377 . 1 1 38 38 VAL HB H 1 1.353 0.01 . 1 . . . . . 38 VAL HB . 7083 1 378 . 1 1 38 38 VAL HG11 H 1 0.253 0.01 . 1 . . . . . 38 VAL HG1 . 7083 1 379 . 1 1 38 38 VAL HG12 H 1 0.253 0.01 . 1 . . . . . 38 VAL HG1 . 7083 1 380 . 1 1 38 38 VAL HG13 H 1 0.253 0.01 . 1 . . . . . 38 VAL HG1 . 7083 1 381 . 1 1 38 38 VAL HG21 H 1 -0.583 0.01 . 1 . . . . . 38 VAL HG2 . 7083 1 382 . 1 1 38 38 VAL HG22 H 1 -0.583 0.01 . 1 . . . . . 38 VAL HG2 . 7083 1 383 . 1 1 38 38 VAL HG23 H 1 -0.583 0.01 . 1 . . . . . 38 VAL HG2 . 7083 1 384 . 1 1 38 38 VAL C C 13 171.63 0.1 . 1 . . . . . 38 VAL C . 7083 1 385 . 1 1 38 38 VAL CA C 13 59.502 0.05 . 1 . . . . . 38 VAL CA . 7083 1 386 . 1 1 38 38 VAL CB C 13 30.034 0.05 . 1 . . . . . 38 VAL CB . 7083 1 387 . 1 1 38 38 VAL N N 15 124.88 0.1 . 1 . . . . . 38 VAL N . 7083 1 388 . 1 1 39 39 VAL H H 1 8.358 0.01 . 1 . . . . . 39 VAL H . 7083 1 389 . 1 1 39 39 VAL HA H 1 4.567 0.01 . 1 . . . . . 39 VAL HA . 7083 1 390 . 1 1 39 39 VAL HB H 1 0.739 0.01 . 1 . . . . . 39 VAL HB . 7083 1 391 . 1 1 39 39 VAL HG11 H 1 0.458 0.01 . 1 . . . . . 39 VAL HG1 . 7083 1 392 . 1 1 39 39 VAL HG12 H 1 0.458 0.01 . 1 . . . . . 39 VAL HG1 . 7083 1 393 . 1 1 39 39 VAL HG13 H 1 0.458 0.01 . 1 . . . . . 39 VAL HG1 . 7083 1 394 . 1 1 39 39 VAL HG21 H 1 0.413 0.01 . 1 . . . . . 39 VAL HG2 . 7083 1 395 . 1 1 39 39 VAL HG22 H 1 0.413 0.01 . 1 . . . . . 39 VAL HG2 . 7083 1 396 . 1 1 39 39 VAL HG23 H 1 0.413 0.01 . 1 . . . . . 39 VAL HG2 . 7083 1 397 . 1 1 39 39 VAL C C 13 173.59 0.1 . 1 . . . . . 39 VAL C . 7083 1 398 . 1 1 39 39 VAL CA C 13 58.921 0.05 . 1 . . . . . 39 VAL CA . 7083 1 399 . 1 1 39 39 VAL CB C 13 30.583 0.05 . 1 . . . . . 39 VAL CB . 7083 1 400 . 1 1 39 39 VAL N N 15 129.42 0.1 . 1 . . . . . 39 VAL N . 7083 1 401 . 1 1 40 40 TYR H H 1 8.500 0.01 . 1 . . . . . 40 TYR H . 7083 1 402 . 1 1 40 40 TYR HA H 1 5.466 0.01 . 1 . . . . . 40 TYR HA . 7083 1 403 . 1 1 40 40 TYR HB2 H 1 2.855 0.01 . 1 . . . . . 40 TYR HB2 . 7083 1 404 . 1 1 40 40 TYR HB3 H 1 2.141 0.01 . 1 . . . . . 40 TYR HB3 . 7083 1 405 . 1 1 40 40 TYR HD1 H 1 6.361 0.01 . 1 . . . . . 40 TYR HD1 . 7083 1 406 . 1 1 40 40 TYR HE1 H 1 6.258 0.01 . 1 . . . . . 40 TYR HE1 . 7083 1 407 . 1 1 40 40 TYR C C 13 170.44 0.1 . 1 . . . . . 40 TYR C . 7083 1 408 . 1 1 40 40 TYR CA C 13 53.178 0.05 . 1 . . . . . 40 TYR CA . 7083 1 409 . 1 1 40 40 TYR CB C 13 41.835 0.05 . 1 . . . . . 40 TYR CB . 7083 1 410 . 1 1 40 40 TYR N N 15 120.21 0.1 . 1 . . . . . 40 TYR N . 7083 1 411 . 1 1 41 41 ALA H H 1 8.026 0.01 . 1 . . . . . 41 ALA H . 7083 1 412 . 1 1 41 41 ALA HA H 1 3.733 0.01 . 1 . . . . . 41 ALA HA . 7083 1 413 . 1 1 41 41 ALA HB1 H 1 -0.562 0.01 . 1 . . . . . 41 ALA HB . 7083 1 414 . 1 1 41 41 ALA HB2 H 1 -0.562 0.01 . 1 . . . . . 41 ALA HB . 7083 1 415 . 1 1 41 41 ALA HB3 H 1 -0.562 0.01 . 1 . . . . . 41 ALA HB . 7083 1 416 . 1 1 41 41 ALA C C 13 175.58 0.1 . 1 . . . . . 41 ALA C . 7083 1 417 . 1 1 41 41 ALA CA C 13 46.335 0.05 . 1 . . . . . 41 ALA CA . 7083 1 418 . 1 1 41 41 ALA CB C 13 17.087 0.05 . 1 . . . . . 41 ALA CB . 7083 1 419 . 1 1 41 41 ALA N N 15 124.69 0.1 . 1 . . . . . 41 ALA N . 7083 1 420 . 1 1 42 42 ASP H H 1 7.436 0.01 . 1 . . . . . 42 ASP H . 7083 1 421 . 1 1 42 42 ASP HA H 1 4.375 0.01 . 1 . . . . . 42 ASP HA . 7083 1 422 . 1 1 42 42 ASP HB2 H 1 3.114 0.01 . 1 . . . . . 42 ASP HB2 . 7083 1 423 . 1 1 42 42 ASP HB3 H 1 2.332 0.01 . 1 . . . . . 42 ASP HB3 . 7083 1 424 . 1 1 42 42 ASP C C 13 174.40 0.1 . 1 . . . . . 42 ASP C . 7083 1 425 . 1 1 42 42 ASP CA C 13 50.853 0.05 . 1 . . . . . 42 ASP CA . 7083 1 426 . 1 1 42 42 ASP CB C 13 38.118 0.05 . 1 . . . . . 42 ASP CB . 7083 1 427 . 1 1 42 42 ASP N N 15 121.60 0.1 . 1 . . . . . 42 ASP N . 7083 1 428 . 1 1 43 43 GLY H H 1 8.067 0.01 . 1 . . . . . 43 GLY H . 7083 1 429 . 1 1 43 43 GLY HA2 H 1 3.609 0.01 . 1 . . . . . 43 GLY HA2 . 7083 1 430 . 1 1 43 43 GLY HA3 H 1 3.381 0.01 . 1 . . . . . 43 GLY HA3 . 7083 1 431 . 1 1 43 43 GLY C C 13 172.76 0.1 . 1 . . . . . 43 GLY C . 7083 1 432 . 1 1 43 43 GLY CA C 13 44.667 0.05 . 1 . . . . . 43 GLY CA . 7083 1 433 . 1 1 43 43 GLY N N 15 103.06 0.1 . 1 . . . . . 43 GLY N . 7083 1 434 . 1 1 44 44 SER H H 1 8.077 0.01 . 1 . . . . . 44 SER H . 7083 1 435 . 1 1 44 44 SER HA H 1 4.404 0.01 . 1 . . . . . 44 SER HA . 7083 1 436 . 1 1 44 44 SER HB2 H 1 3.771 0.01 . 1 . . . . . 44 SER HB2 . 7083 1 437 . 1 1 44 44 SER HB3 H 1 3.696 0.01 . 1 . . . . . 44 SER HB3 . 7083 1 438 . 1 1 44 44 SER C C 13 171.60 0.1 . 1 . . . . . 44 SER C . 7083 1 439 . 1 1 44 44 SER CA C 13 55.280 0.05 . 1 . . . . . 44 SER CA . 7083 1 440 . 1 1 44 44 SER CB C 13 61.225 0.05 . 1 . . . . . 44 SER CB . 7083 1 441 . 1 1 44 44 SER N N 15 116.43 0.1 . 1 . . . . . 44 SER N . 7083 1 442 . 1 1 45 45 ASP H H 1 8.468 0.01 . 1 . . . . . 45 ASP H . 7083 1 443 . 1 1 45 45 ASP HA H 1 3.803 0.01 . 1 . . . . . 45 ASP HA . 7083 1 444 . 1 1 45 45 ASP HB2 H 1 3.081 0.01 . 1 . . . . . 45 ASP HB2 . 7083 1 445 . 1 1 45 45 ASP HB3 H 1 2.096 0.01 . 1 . . . . . 45 ASP HB3 . 7083 1 446 . 1 1 45 45 ASP C C 13 170.38 0.1 . 1 . . . . . 45 ASP C . 7083 1 447 . 1 1 45 45 ASP CA C 13 51.762 0.05 . 1 . . . . . 45 ASP CA . 7083 1 448 . 1 1 45 45 ASP CB C 13 37.383 0.05 . 1 . . . . . 45 ASP CB . 7083 1 449 . 1 1 45 45 ASP N N 15 120.03 0.1 . 1 . . . . . 45 ASP N . 7083 1 450 . 1 1 46 46 ASN H H 1 7.663 0.01 . 1 . . . . . 46 ASN H . 7083 1 451 . 1 1 46 46 ASN HA H 1 4.622 0.01 . 1 . . . . . 46 ASN HA . 7083 1 452 . 1 1 46 46 ASN HB2 H 1 2.966 0.01 . 1 . . . . . 46 ASN HB2 . 7083 1 453 . 1 1 46 46 ASN HB3 H 1 2.374 0.01 . 1 . . . . . 46 ASN HB3 . 7083 1 454 . 1 1 46 46 ASN HD21 H 1 7.560 0.01 . 1 . . . . . 46 ASN HD21 . 7083 1 455 . 1 1 46 46 ASN HD22 H 1 6.762 0.01 . 1 . . . . . 46 ASN HD22 . 7083 1 456 . 1 1 46 46 ASN C C 13 174.56 0.1 . 1 . . . . . 46 ASN C . 7083 1 457 . 1 1 46 46 ASN CA C 13 49.880 0.05 . 1 . . . . . 46 ASN CA . 7083 1 458 . 1 1 46 46 ASN CB C 13 36.886 0.05 . 1 . . . . . 46 ASN CB . 7083 1 459 . 1 1 46 46 ASN N N 15 115.23 0.1 . 1 . . . . . 46 ASN N . 7083 1 460 . 1 1 46 46 ASN ND2 N 15 112.76 0.1 . 1 . . . . . 46 ASN ND2 . 7083 1 461 . 1 1 47 47 TRP H H 1 9.027 0.01 . 1 . . . . . 47 TRP H . 7083 1 462 . 1 1 47 47 TRP HA H 1 4.052 0.01 . 1 . . . . . 47 TRP HA . 7083 1 463 . 1 1 47 47 TRP HB2 H 1 3.196 0.01 . 1 . . . . . 47 TRP HB2 . 7083 1 464 . 1 1 47 47 TRP HB3 H 1 2.915 0.01 . 1 . . . . . 47 TRP HB3 . 7083 1 465 . 1 1 47 47 TRP HD1 H 1 7.213 0.01 . 1 . . . . . 47 TRP HD1 . 7083 1 466 . 1 1 47 47 TRP HE1 H 1 9.926 0.01 . 1 . . . . . 47 TRP HE1 . 7083 1 467 . 1 1 47 47 TRP HE3 H 1 6.718 0.01 . 1 . . . . . 47 TRP HE3 . 7083 1 468 . 1 1 47 47 TRP HZ2 H 1 6.973 0.01 . 1 . . . . . 47 TRP HZ2 . 7083 1 469 . 1 1 47 47 TRP HZ3 H 1 7.276 0.01 . 1 . . . . . 47 TRP HZ3 . 7083 1 470 . 1 1 47 47 TRP HH2 H 1 6.582 0.01 . 1 . . . . . 47 TRP HH2 . 7083 1 471 . 1 1 47 47 TRP C C 13 176.00 0.1 . 1 . . . . . 47 TRP C . 7083 1 472 . 1 1 47 47 TRP CA C 13 56.078 0.05 . 1 . . . . . 47 TRP CA . 7083 1 473 . 1 1 47 47 TRP CB C 13 26.977 0.05 . 1 . . . . . 47 TRP CB . 7083 1 474 . 1 1 47 47 TRP N N 15 125.99 0.1 . 1 . . . . . 47 TRP N . 7083 1 475 . 1 1 47 47 TRP NE1 N 15 130.01 0.1 . 1 . . . . . 47 TRP NE1 . 7083 1 476 . 1 1 48 48 ASN H H 1 9.070 0.01 . 1 . . . . . 48 ASN H . 7083 1 477 . 1 1 48 48 ASN HA H 1 4.162 0.01 . 1 . . . . . 48 ASN HA . 7083 1 478 . 1 1 48 48 ASN HB2 H 1 2.646 0.01 . 1 . . . . . 48 ASN HB2 . 7083 1 479 . 1 1 48 48 ASN HB3 H 1 2.257 0.01 . 1 . . . . . 48 ASN HB3 . 7083 1 480 . 1 1 48 48 ASN HD21 H 1 7.049 0.01 . 1 . . . . . 48 ASN HD21 . 7083 1 481 . 1 1 48 48 ASN HD22 H 1 6.518 0.01 . 1 . . . . . 48 ASN HD22 . 7083 1 482 . 1 1 48 48 ASN C C 13 173.92 0.1 . 1 . . . . . 48 ASN C . 7083 1 483 . 1 1 48 48 ASN CA C 13 51.542 0.05 . 1 . . . . . 48 ASN CA . 7083 1 484 . 1 1 48 48 ASN CB C 13 35.007 0.05 . 1 . . . . . 48 ASN CB . 7083 1 485 . 1 1 48 48 ASN N N 15 121.50 0.1 . 1 . . . . . 48 ASN N . 7083 1 486 . 1 1 48 48 ASN ND2 N 15 109.89 0.1 . 1 . . . . . 48 ASN ND2 . 7083 1 487 . 1 1 49 49 ASN H H 1 9.108 0.01 . 1 . . . . . 49 ASN H . 7083 1 488 . 1 1 49 49 ASN HA H 1 4.092 0.01 . 1 . . . . . 49 ASN HA . 7083 1 489 . 1 1 49 49 ASN HB2 H 1 2.785 0.01 . 1 . . . . . 49 ASN HB2 . 7083 1 490 . 1 1 49 49 ASN HB3 H 1 2.418 0.01 . 1 . . . . . 49 ASN HB3 . 7083 1 491 . 1 1 49 49 ASN HD21 H 1 7.378 0.01 . 1 . . . . . 49 ASN HD21 . 7083 1 492 . 1 1 49 49 ASN HD22 H 1 6.640 0.01 . 1 . . . . . 49 ASN HD22 . 7083 1 493 . 1 1 49 49 ASN C C 13 172.58 0.1 . 1 . . . . . 49 ASN C . 7083 1 494 . 1 1 49 49 ASN CA C 13 52.154 0.05 . 1 . . . . . 49 ASN CA . 7083 1 495 . 1 1 49 49 ASN CB C 13 34.858 0.05 . 1 . . . . . 49 ASN CB . 7083 1 496 . 1 1 49 49 ASN N N 15 115.19 0.1 . 1 . . . . . 49 ASN N . 7083 1 497 . 1 1 49 49 ASN ND2 N 15 112.81 0.1 . 1 . . . . . 49 ASN ND2 . 7083 1 498 . 1 1 50 50 ASN H H 1 7.258 0.01 . 1 . . . . . 50 ASN H . 7083 1 499 . 1 1 50 50 ASN HA H 1 4.522 0.01 . 1 . . . . . 50 ASN HA . 7083 1 500 . 1 1 50 50 ASN HB2 H 1 2.864 0.01 . 1 . . . . . 50 ASN HB2 . 7083 1 501 . 1 1 50 50 ASN HB3 H 1 2.673 0.01 . 1 . . . . . 50 ASN HB3 . 7083 1 502 . 1 1 50 50 ASN HD21 H 1 7.213 0.01 . 1 . . . . . 50 ASN HD21 . 7083 1 503 . 1 1 50 50 ASN HD22 H 1 6.532 0.01 . 1 . . . . . 50 ASN HD22 . 7083 1 504 . 1 1 50 50 ASN C C 13 172.67 0.1 . 1 . . . . . 50 ASN C . 7083 1 505 . 1 1 50 50 ASN CA C 13 52.718 0.05 . 1 . . . . . 50 ASN CA . 7083 1 506 . 1 1 50 50 ASN CB C 13 34.193 0.05 . 1 . . . . . 50 ASN CB . 7083 1 507 . 1 1 50 50 ASN N N 15 110.83 0.1 . 1 . . . . . 50 ASN N . 7083 1 508 . 1 1 50 50 ASN ND2 N 15 114.21 0.1 . 1 . . . . . 50 ASN ND2 . 7083 1 509 . 1 1 51 51 GLY H H 1 7.258 0.01 . 1 . . . . . 51 GLY H . 7083 1 510 . 1 1 51 51 GLY HA2 H 1 4.090 0.01 . 1 . . . . . 51 GLY HA2 . 7083 1 511 . 1 1 51 51 GLY HA3 H 1 3.443 0.01 . 1 . . . . . 51 GLY HA3 . 7083 1 512 . 1 1 51 51 GLY C C 13 172.70 0.1 . 1 . . . . . 51 GLY C . 7083 1 513 . 1 1 51 51 GLY CA C 13 42.659 0.05 . 1 . . . . . 51 GLY CA . 7083 1 514 . 1 1 51 51 GLY N N 15 102.22 0.1 . 1 . . . . . 51 GLY N . 7083 1 515 . 1 1 52 52 ASN H H 1 9.185 0.01 . 1 . . . . . 52 ASN H . 7083 1 516 . 1 1 52 52 ASN HA H 1 4.550 0.01 . 1 . . . . . 52 ASN HA . 7083 1 517 . 1 1 52 52 ASN HB2 H 1 2.732 0.01 . 1 . . . . . 52 ASN HB2 . 7083 1 518 . 1 1 52 52 ASN HB3 H 1 0.775 0.01 . 1 . . . . . 52 ASN HB3 . 7083 1 519 . 1 1 52 52 ASN HD21 H 1 6.586 0.01 . 1 . . . . . 52 ASN HD21 . 7083 1 520 . 1 1 52 52 ASN HD22 H 1 6.443 0.01 . 1 . . . . . 52 ASN HD22 . 7083 1 521 . 1 1 52 52 ASN C C 13 169.36 0.1 . 1 . . . . . 52 ASN C . 7083 1 522 . 1 1 52 52 ASN CA C 13 48.916 0.05 . 1 . . . . . 52 ASN CA . 7083 1 523 . 1 1 52 52 ASN CB C 13 32.116 0.05 . 1 . . . . . 52 ASN CB . 7083 1 524 . 1 1 52 52 ASN N N 15 124.49 0.1 . 1 . . . . . 52 ASN N . 7083 1 525 . 1 1 52 52 ASN ND2 N 15 111.30 0.1 . 1 . . . . . 52 ASN ND2 . 7083 1 526 . 1 1 53 53 ILE H H 1 7.446 0.01 . 1 . . . . . 53 ILE H . 7083 1 527 . 1 1 53 53 ILE HA H 1 5.161 0.01 . 1 . . . . . 53 ILE HA . 7083 1 528 . 1 1 53 53 ILE HB H 1 1.414 0.01 . 1 . . . . . 53 ILE HB . 7083 1 529 . 1 1 53 53 ILE HG12 H 1 0.944 0.01 . 1 . . . . . 53 ILE HG12 . 7083 1 530 . 1 1 53 53 ILE HG13 H 1 0.706 0.01 . 1 . . . . . 53 ILE HG13 . 7083 1 531 . 1 1 53 53 ILE HG21 H 1 0.637 0.01 . 1 . . . . . 53 ILE HG2 . 7083 1 532 . 1 1 53 53 ILE HG22 H 1 0.637 0.01 . 1 . . . . . 53 ILE HG2 . 7083 1 533 . 1 1 53 53 ILE HG23 H 1 0.637 0.01 . 1 . . . . . 53 ILE HG2 . 7083 1 534 . 1 1 53 53 ILE HD11 H 1 0.445 0.01 . 1 . . . . . 53 ILE HD1 . 7083 1 535 . 1 1 53 53 ILE HD12 H 1 0.445 0.01 . 1 . . . . . 53 ILE HD1 . 7083 1 536 . 1 1 53 53 ILE HD13 H 1 0.445 0.01 . 1 . . . . . 53 ILE HD1 . 7083 1 537 . 1 1 53 53 ILE C C 13 174.29 0.1 . 1 . . . . . 53 ILE C . 7083 1 538 . 1 1 53 53 ILE CA C 13 56.657 0.05 . 1 . . . . . 53 ILE CA . 7083 1 539 . 1 1 53 53 ILE CB C 13 40.690 0.05 . 1 . . . . . 53 ILE CB . 7083 1 540 . 1 1 53 53 ILE N N 15 117.60 0.1 . 1 . . . . . 53 ILE N . 7083 1 541 . 1 1 54 54 ILE H H 1 9.033 0.01 . 1 . . . . . 54 ILE H . 7083 1 542 . 1 1 54 54 ILE HA H 1 4.060 0.01 . 1 . . . . . 54 ILE HA . 7083 1 543 . 1 1 54 54 ILE HB H 1 1.200 0.01 . 1 . . . . . 54 ILE HB . 7083 1 544 . 1 1 54 54 ILE HG12 H 1 0.953 0.01 . 1 . . . . . 54 ILE HG12 . 7083 1 545 . 1 1 54 54 ILE HG13 H 1 0.841 0.01 . 1 . . . . . 54 ILE HG13 . 7083 1 546 . 1 1 54 54 ILE HG21 H 1 0.656 0.01 . 1 . . . . . 54 ILE HG2 . 7083 1 547 . 1 1 54 54 ILE HG22 H 1 0.656 0.01 . 1 . . . . . 54 ILE HG2 . 7083 1 548 . 1 1 54 54 ILE HG23 H 1 0.656 0.01 . 1 . . . . . 54 ILE HG2 . 7083 1 549 . 1 1 54 54 ILE HD11 H 1 0.596 0.01 . 1 . . . . . 54 ILE HD1 . 7083 1 550 . 1 1 54 54 ILE HD12 H 1 0.596 0.01 . 1 . . . . . 54 ILE HD1 . 7083 1 551 . 1 1 54 54 ILE HD13 H 1 0.596 0.01 . 1 . . . . . 54 ILE HD1 . 7083 1 552 . 1 1 54 54 ILE C C 13 172.40 0.1 . 1 . . . . . 54 ILE C . 7083 1 553 . 1 1 54 54 ILE CA C 13 57.755 0.05 . 1 . . . . . 54 ILE CA . 7083 1 554 . 1 1 54 54 ILE CB C 13 40.268 0.05 . 1 . . . . . 54 ILE CB . 7083 1 555 . 1 1 54 54 ILE N N 15 125.20 0.1 . 1 . . . . . 54 ILE N . 7083 1 556 . 1 1 55 55 ALA H H 1 8.852 0.01 . 1 . . . . . 55 ALA H . 7083 1 557 . 1 1 55 55 ALA HA H 1 4.542 0.01 . 1 . . . . . 55 ALA HA . 7083 1 558 . 1 1 55 55 ALA HB1 H 1 1.328 0.01 . 1 . . . . . 55 ALA HB . 7083 1 559 . 1 1 55 55 ALA HB2 H 1 1.328 0.01 . 1 . . . . . 55 ALA HB . 7083 1 560 . 1 1 55 55 ALA HB3 H 1 1.328 0.01 . 1 . . . . . 55 ALA HB . 7083 1 561 . 1 1 55 55 ALA C C 13 174.72 0.1 . 1 . . . . . 55 ALA C . 7083 1 562 . 1 1 55 55 ALA CA C 13 50.090 0.05 . 1 . . . . . 55 ALA CA . 7083 1 563 . 1 1 55 55 ALA CB C 13 16.986 0.05 . 1 . . . . . 55 ALA CB . 7083 1 564 . 1 1 55 55 ALA N N 15 130.09 0.1 . 1 . . . . . 55 ALA N . 7083 1 565 . 1 1 56 56 ALA H H 1 8.599 0.01 . 1 . . . . . 56 ALA H . 7083 1 566 . 1 1 56 56 ALA HA H 1 4.918 0.01 . 1 . . . . . 56 ALA HA . 7083 1 567 . 1 1 56 56 ALA HB1 H 1 1.268 0.01 . 1 . . . . . 56 ALA HB . 7083 1 568 . 1 1 56 56 ALA HB2 H 1 1.268 0.01 . 1 . . . . . 56 ALA HB . 7083 1 569 . 1 1 56 56 ALA HB3 H 1 1.268 0.01 . 1 . . . . . 56 ALA HB . 7083 1 570 . 1 1 56 56 ALA C C 13 174.00 0.1 . 1 . . . . . 56 ALA C . 7083 1 571 . 1 1 56 56 ALA CA C 13 48.216 0.05 . 1 . . . . . 56 ALA CA . 7083 1 572 . 1 1 56 56 ALA CB C 13 18.613 0.05 . 1 . . . . . 56 ALA CB . 7083 1 573 . 1 1 56 56 ALA N N 15 126.28 0.1 . 1 . . . . . 56 ALA N . 7083 1 574 . 1 1 57 57 SER H H 1 9.312 0.01 . 1 . . . . . 57 SER H . 7083 1 575 . 1 1 57 57 SER HA H 1 4.691 0.01 . 1 . . . . . 57 SER HA . 7083 1 576 . 1 1 57 57 SER HB2 H 1 3.558 0.01 . 1 . . . . . 57 SER HB2 . 7083 1 577 . 1 1 57 57 SER HB3 H 1 3.432 0.01 . 1 . . . . . 57 SER HB3 . 7083 1 578 . 1 1 57 57 SER C C 13 170.25 0.1 . 1 . . . . . 57 SER C . 7083 1 579 . 1 1 57 57 SER CA C 13 55.156 0.05 . 1 . . . . . 57 SER CA . 7083 1 580 . 1 1 57 57 SER CB C 13 63.897 0.05 . 1 . . . . . 57 SER CB . 7083 1 581 . 1 1 57 57 SER N N 15 113.96 0.1 . 1 . . . . . 57 SER N . 7083 1 582 . 1 1 58 58 PHE H H 1 7.509 0.01 . 1 . . . . . 58 PHE H . 7083 1 583 . 1 1 58 58 PHE HA H 1 4.670 0.01 . 1 . . . . . 58 PHE HA . 7083 1 584 . 1 1 58 58 PHE HB2 H 1 2.017 0.01 . 1 . . . . . 58 PHE HB2 . 7083 1 585 . 1 1 58 58 PHE HB3 H 1 1.751 0.01 . 1 . . . . . 58 PHE HB3 . 7083 1 586 . 1 1 58 58 PHE HD1 H 1 6.672 0.01 . 1 . . . . . 58 PHE HD1 . 7083 1 587 . 1 1 58 58 PHE HE1 H 1 6.945 0.01 . 1 . . . . . 58 PHE HE1 . 7083 1 588 . 1 1 58 58 PHE C C 13 172.74 0.1 . 1 . . . . . 58 PHE C . 7083 1 589 . 1 1 58 58 PHE CA C 13 56.123 0.05 . 1 . . . . . 58 PHE CA . 7083 1 590 . 1 1 58 58 PHE CB C 13 36.714 0.05 . 1 . . . . . 58 PHE CB . 7083 1 591 . 1 1 58 58 PHE N N 15 125.00 0.1 . 1 . . . . . 58 PHE N . 7083 1 592 . 1 1 59 59 SER H H 1 8.015 0.01 . 1 . . . . . 59 SER H . 7083 1 593 . 1 1 59 59 SER HA H 1 4.186 0.01 . 1 . . . . . 59 SER HA . 7083 1 594 . 1 1 59 59 SER HB2 H 1 3.223 0.01 . 1 . . . . . 59 SER HB2 . 7083 1 595 . 1 1 59 59 SER HB3 H 1 3.252 0.01 . 1 . . . . . 59 SER HB3 . 7083 1 596 . 1 1 59 59 SER C C 13 172.03 0.1 . 1 . . . . . 59 SER C . 7083 1 597 . 1 1 59 59 SER CA C 13 55.627 0.05 . 1 . . . . . 59 SER CA . 7083 1 598 . 1 1 59 59 SER CB C 13 61.764 0.05 . 1 . . . . . 59 SER CB . 7083 1 599 . 1 1 59 59 SER N N 15 122.42 0.1 . 1 . . . . . 59 SER N . 7083 1 600 . 1 1 60 60 GLY H H 1 6.431 0.01 . 1 . . . . . 60 GLY H . 7083 1 601 . 1 1 60 60 GLY HA2 H 1 3.848 0.01 . 1 . . . . . 60 GLY HA2 . 7083 1 602 . 1 1 60 60 GLY HA3 H 1 3.442 0.01 . 1 . . . . . 60 GLY HA3 . 7083 1 603 . 1 1 60 60 GLY C C 13 167.05 0.1 . 1 . . . . . 60 GLY C . 7083 1 604 . 1 1 60 60 GLY CA C 13 43.829 0.05 . 1 . . . . . 60 GLY CA . 7083 1 605 . 1 1 60 60 GLY N N 15 104.41 0.1 . 1 . . . . . 60 GLY N . 7083 1 606 . 1 1 61 61 PRO HA H 1 4.587 0.01 . 1 . . . . . 61 PRO HA . 7083 1 607 . 1 1 61 61 PRO HB2 H 1 2.399 0.01 . 1 . . . . . 61 PRO HB2 . 7083 1 608 . 1 1 61 61 PRO HB3 H 1 1.896 0.01 . 1 . . . . . 61 PRO HB3 . 7083 1 609 . 1 1 61 61 PRO HG2 H 1 2.060 0.01 . 1 . . . . . 61 PRO HG2 . 7083 1 610 . 1 1 61 61 PRO HD2 H 1 3.609 0.01 . 1 . . . . . 61 PRO HD2 . 7083 1 611 . 1 1 61 61 PRO HD3 H 1 3.508 0.01 . 1 . . . . . 61 PRO HD3 . 7083 1 612 . 1 1 61 61 PRO C C 13 173.94 0.1 . 1 . . . . . 61 PRO C . 7083 1 613 . 1 1 61 61 PRO CA C 13 60.366 0.05 . 1 . . . . . 61 PRO CA . 7083 1 614 . 1 1 61 61 PRO CB C 13 30.602 0.05 . 1 . . . . . 61 PRO CB . 7083 1 615 . 1 1 62 62 ILE H H 1 7.849 0.01 . 1 . . . . . 62 ILE H . 7083 1 616 . 1 1 62 62 ILE HA H 1 4.058 0.01 . 1 . . . . . 62 ILE HA . 7083 1 617 . 1 1 62 62 ILE HB H 1 1.487 0.01 . 1 . . . . . 62 ILE HB . 7083 1 618 . 1 1 62 62 ILE HG12 H 1 0.955 0.01 . 1 . . . . . 62 ILE HG12 . 7083 1 619 . 1 1 62 62 ILE HG13 H 1 0.463 0.01 . 1 . . . . . 62 ILE HG13 . 7083 1 620 . 1 1 62 62 ILE HG21 H 1 0.598 0.01 . 1 . . . . . 62 ILE HG2 . 7083 1 621 . 1 1 62 62 ILE HG22 H 1 0.598 0.01 . 1 . . . . . 62 ILE HG2 . 7083 1 622 . 1 1 62 62 ILE HG23 H 1 0.598 0.01 . 1 . . . . . 62 ILE HG2 . 7083 1 623 . 1 1 62 62 ILE HD11 H 1 -0.021 0.01 . 1 . . . . . 62 ILE HD1 . 7083 1 624 . 1 1 62 62 ILE HD12 H 1 -0.021 0.01 . 1 . . . . . 62 ILE HD1 . 7083 1 625 . 1 1 62 62 ILE HD13 H 1 -0.021 0.01 . 1 . . . . . 62 ILE HD1 . 7083 1 626 . 1 1 62 62 ILE C C 13 174.19 0.1 . 1 . . . . . 62 ILE C . 7083 1 627 . 1 1 62 62 ILE CA C 13 58.989 0.05 . 1 . . . . . 62 ILE CA . 7083 1 628 . 1 1 62 62 ILE CB C 13 34.907 0.05 . 1 . . . . . 62 ILE CB . 7083 1 629 . 1 1 62 62 ILE N N 15 121.08 0.1 . 1 . . . . . 62 ILE N . 7083 1 630 . 1 1 63 63 SER H H 1 8.540 0.01 . 1 . . . . . 63 SER H . 7083 1 631 . 1 1 63 63 SER HA H 1 4.064 0.01 . 1 . . . . . 63 SER HA . 7083 1 632 . 1 1 63 63 SER HB2 H 1 3.693 0.01 . 1 . . . . . 63 SER HB2 . 7083 1 633 . 1 1 63 63 SER HB3 H 1 3.640 0.01 . 1 . . . . . 63 SER HB3 . 7083 1 634 . 1 1 63 63 SER C C 13 173.05 0.1 . 1 . . . . . 63 SER C . 7083 1 635 . 1 1 63 63 SER CA C 13 57.955 0.05 . 1 . . . . . 63 SER CA . 7083 1 636 . 1 1 63 63 SER CB C 13 60.644 0.05 . 1 . . . . . 63 SER CB . 7083 1 637 . 1 1 63 63 SER N N 15 124.11 0.1 . 1 . . . . . 63 SER N . 7083 1 638 . 1 1 64 64 GLY H H 1 8.877 0.01 . 1 . . . . . 64 GLY H . 7083 1 639 . 1 1 64 64 GLY HA2 H 1 3.942 0.01 . 1 . . . . . 64 GLY HA2 . 7083 1 640 . 1 1 64 64 GLY HA3 H 1 3.624 0.01 . 1 . . . . . 64 GLY HA3 . 7083 1 641 . 1 1 64 64 GLY C C 13 171.05 0.1 . 1 . . . . . 64 GLY C . 7083 1 642 . 1 1 64 64 GLY CA C 13 43.437 0.05 . 1 . . . . . 64 GLY CA . 7083 1 643 . 1 1 64 64 GLY N N 15 113.00 0.1 . 1 . . . . . 64 GLY N . 7083 1 644 . 1 1 65 65 SER H H 1 7.896 0.01 . 1 . . . . . 65 SER H . 7083 1 645 . 1 1 65 65 SER HA H 1 4.851 0.01 . 1 . . . . . 65 SER HA . 7083 1 646 . 1 1 65 65 SER HB2 H 1 3.946 0.01 . 1 . . . . . 65 SER HB2 . 7083 1 647 . 1 1 65 65 SER HB3 H 1 3.604 0.01 . 1 . . . . . 65 SER HB3 . 7083 1 648 . 1 1 65 65 SER C C 13 170.97 0.1 . 1 . . . . . 65 SER C . 7083 1 649 . 1 1 65 65 SER CA C 13 54.832 0.05 . 1 . . . . . 65 SER CA . 7083 1 650 . 1 1 65 65 SER CB C 13 65.887 0.05 . 1 . . . . . 65 SER CB . 7083 1 651 . 1 1 65 65 SER N N 15 114.62 0.1 . 1 . . . . . 65 SER N . 7083 1 652 . 1 1 66 66 ASN H H 1 8.770 0.01 . 1 . . . . . 66 ASN H . 7083 1 653 . 1 1 66 66 ASN HA H 1 5.007 0.01 . 1 . . . . . 66 ASN HA . 7083 1 654 . 1 1 66 66 ASN HB2 H 1 2.574 0.01 . 1 . . . . . 66 ASN HB2 . 7083 1 655 . 1 1 66 66 ASN HB3 H 1 2.363 0.01 . 1 . . . . . 66 ASN HB3 . 7083 1 656 . 1 1 66 66 ASN HD21 H 1 7.203 0.01 . 1 . . . . . 66 ASN HD21 . 7083 1 657 . 1 1 66 66 ASN HD22 H 1 6.499 0.01 . 1 . . . . . 66 ASN HD22 . 7083 1 658 . 1 1 66 66 ASN C C 13 171.28 0.1 . 1 . . . . . 66 ASN C . 7083 1 659 . 1 1 66 66 ASN CA C 13 49.938 0.05 . 1 . . . . . 66 ASN CA . 7083 1 660 . 1 1 66 66 ASN CB C 13 36.219 0.05 . 1 . . . . . 66 ASN CB . 7083 1 661 . 1 1 66 66 ASN N N 15 117.59 0.1 . 1 . . . . . 66 ASN N . 7083 1 662 . 1 1 66 66 ASN ND2 N 15 110.40 0.1 . 1 . . . . . 66 ASN ND2 . 7083 1 663 . 1 1 67 67 TYR H H 1 8.653 0.01 . 1 . . . . . 67 TYR H . 7083 1 664 . 1 1 67 67 TYR HA H 1 4.791 0.01 . 1 . . . . . 67 TYR HA . 7083 1 665 . 1 1 67 67 TYR HB2 H 1 2.660 0.01 . 1 . . . . . 67 TYR HB2 . 7083 1 666 . 1 1 67 67 TYR HB3 H 1 2.493 0.01 . 1 . . . . . 67 TYR HB3 . 7083 1 667 . 1 1 67 67 TYR HD1 H 1 6.511 0.01 . 1 . . . . . 67 TYR HD1 . 7083 1 668 . 1 1 67 67 TYR HE1 H 1 6.412 0.01 . 1 . . . . . 67 TYR HE1 . 7083 1 669 . 1 1 67 67 TYR C C 13 172.38 0.1 . 1 . . . . . 67 TYR C . 7083 1 670 . 1 1 67 67 TYR CA C 13 55.858 0.05 . 1 . . . . . 67 TYR CA . 7083 1 671 . 1 1 67 67 TYR CB C 13 40.876 0.05 . 1 . . . . . 67 TYR CB . 7083 1 672 . 1 1 67 67 TYR N N 15 116.79 0.1 . 1 . . . . . 67 TYR N . 7083 1 673 . 1 1 68 68 GLU H H 1 9.171 0.01 . 1 . . . . . 68 GLU H . 7083 1 674 . 1 1 68 68 GLU HA H 1 4.665 0.01 . 1 . . . . . 68 GLU HA . 7083 1 675 . 1 1 68 68 GLU HB2 H 1 2.123 0.01 . 1 . . . . . 68 GLU HB2 . 7083 1 676 . 1 1 68 68 GLU HB3 H 1 2.097 0.01 . 1 . . . . . 68 GLU HB3 . 7083 1 677 . 1 1 68 68 GLU HG2 H 1 2.347 0.01 . 1 . . . . . 68 GLU HG2 . 7083 1 678 . 1 1 68 68 GLU C C 13 172.97 0.1 . 1 . . . . . 68 GLU C . 7083 1 679 . 1 1 68 68 GLU CA C 13 51.572 0.05 . 1 . . . . . 68 GLU CA . 7083 1 680 . 1 1 68 68 GLU CB C 13 31.575 0.05 . 1 . . . . . 68 GLU CB . 7083 1 681 . 1 1 68 68 GLU N N 15 118.61 0.1 . 1 . . . . . 68 GLU N . 7083 1 682 . 1 1 69 69 TYR H H 1 9.004 0.01 . 1 . . . . . 69 TYR H . 7083 1 683 . 1 1 69 69 TYR HA H 1 5.542 0.01 . 1 . . . . . 69 TYR HA . 7083 1 684 . 1 1 69 69 TYR HB2 H 1 2.496 0.01 . 1 . . . . . 69 TYR HB2 . 7083 1 685 . 1 1 69 69 TYR HD1 H 1 6.664 0.01 . 1 . . . . . 69 TYR HD1 . 7083 1 686 . 1 1 69 69 TYR HE1 H 1 6.135 0.01 . 1 . . . . . 69 TYR HE1 . 7083 1 687 . 1 1 69 69 TYR C C 13 174.12 0.1 . 1 . . . . . 69 TYR C . 7083 1 688 . 1 1 69 69 TYR CA C 13 55.032 0.05 . 1 . . . . . 69 TYR CA . 7083 1 689 . 1 1 69 69 TYR CB C 13 38.508 0.05 . 1 . . . . . 69 TYR CB . 7083 1 690 . 1 1 69 69 TYR N N 15 119.02 0.1 . 1 . . . . . 69 TYR N . 7083 1 691 . 1 1 70 70 TRP H H 1 9.436 0.01 . 1 . . . . . 70 TRP H . 7083 1 692 . 1 1 70 70 TRP HA H 1 4.989 0.01 . 1 . . . . . 70 TRP HA . 7083 1 693 . 1 1 70 70 TRP HB2 H 1 2.861 0.01 . 1 . . . . . 70 TRP HB2 . 7083 1 694 . 1 1 70 70 TRP HB3 H 1 2.557 0.01 . 1 . . . . . 70 TRP HB3 . 7083 1 695 . 1 1 70 70 TRP HD1 H 1 6.842 0.01 . 1 . . . . . 70 TRP HD1 . 7083 1 696 . 1 1 70 70 TRP HE1 H 1 11.861 0.01 . 1 . . . . . 70 TRP HE1 . 7083 1 697 . 1 1 70 70 TRP HE3 H 1 6.953 0.01 . 1 . . . . . 70 TRP HE3 . 7083 1 698 . 1 1 70 70 TRP HZ2 H 1 6.671 0.01 . 1 . . . . . 70 TRP HZ2 . 7083 1 699 . 1 1 70 70 TRP HZ3 H 1 7.097 0.01 . 1 . . . . . 70 TRP HZ3 . 7083 1 700 . 1 1 70 70 TRP HH2 H 1 7.433 0.01 . 1 . . . . . 70 TRP HH2 . 7083 1 701 . 1 1 70 70 TRP C C 13 172.96 0.1 . 1 . . . . . 70 TRP C . 7083 1 702 . 1 1 70 70 TRP CA C 13 54.843 0.05 . 1 . . . . . 70 TRP CA . 7083 1 703 . 1 1 70 70 TRP CB C 13 28.968 0.05 . 1 . . . . . 70 TRP CB . 7083 1 704 . 1 1 70 70 TRP N N 15 124.63 0.1 . 1 . . . . . 70 TRP N . 7083 1 705 . 1 1 70 70 TRP NE1 N 15 133.49 0.1 . 1 . . . . . 70 TRP NE1 . 7083 1 706 . 1 1 71 71 THR H H 1 9.255 0.01 . 1 . . . . . 71 THR H . 7083 1 707 . 1 1 71 71 THR HA H 1 5.141 0.01 . 1 . . . . . 71 THR HA . 7083 1 708 . 1 1 71 71 THR HB H 1 3.950 0.01 . 1 . . . . . 71 THR HB . 7083 1 709 . 1 1 71 71 THR HG21 H 1 0.774 0.01 . 1 . . . . . 71 THR HG2 . 7083 1 710 . 1 1 71 71 THR HG22 H 1 0.774 0.01 . 1 . . . . . 71 THR HG2 . 7083 1 711 . 1 1 71 71 THR HG23 H 1 0.774 0.01 . 1 . . . . . 71 THR HG2 . 7083 1 712 . 1 1 71 71 THR C C 13 170.20 0.1 . 1 . . . . . 71 THR C . 7083 1 713 . 1 1 71 71 THR CA C 13 56.990 0.05 . 1 . . . . . 71 THR CA . 7083 1 714 . 1 1 71 71 THR CB C 13 69.700 0.05 . 1 . . . . . 71 THR CB . 7083 1 715 . 1 1 71 71 THR N N 15 112.20 0.1 . 1 . . . . . 71 THR N . 7083 1 716 . 1 1 72 72 PHE H H 1 7.588 0.01 . 1 . . . . . 72 PHE H . 7083 1 717 . 1 1 72 72 PHE HA H 1 5.043 0.01 . 1 . . . . . 72 PHE HA . 7083 1 718 . 1 1 72 72 PHE HB2 H 1 2.550 0.01 . 1 . . . . . 72 PHE HB2 . 7083 1 719 . 1 1 72 72 PHE HB3 H 1 2.380 0.01 . 1 . . . . . 72 PHE HB3 . 7083 1 720 . 1 1 72 72 PHE HD1 H 1 6.193 0.01 . 1 . . . . . 72 PHE HD1 . 7083 1 721 . 1 1 72 72 PHE HE1 H 1 5.852 0.01 . 1 . . . . . 72 PHE HE1 . 7083 1 722 . 1 1 72 72 PHE C C 13 171.52 0.1 . 1 . . . . . 72 PHE C . 7083 1 723 . 1 1 72 72 PHE CA C 13 53.023 0.05 . 1 . . . . . 72 PHE CA . 7083 1 724 . 1 1 72 72 PHE CB C 13 40.215 0.05 . 1 . . . . . 72 PHE CB . 7083 1 725 . 1 1 72 72 PHE N N 15 114.80 0.1 . 1 . . . . . 72 PHE N . 7083 1 726 . 1 1 73 73 SER H H 1 8.133 0.01 . 1 . . . . . 73 SER H . 7083 1 727 . 1 1 73 73 SER HA H 1 4.702 0.01 . 1 . . . . . 73 SER HA . 7083 1 728 . 1 1 73 73 SER HB2 H 1 3.492 0.01 . 1 . . . . . 73 SER HB2 . 7083 1 729 . 1 1 73 73 SER HB3 H 1 3.335 0.01 . 1 . . . . . 73 SER HB3 . 7083 1 730 . 1 1 73 73 SER C C 13 170.89 0.1 . 1 . . . . . 73 SER C . 7083 1 731 . 1 1 73 73 SER CA C 13 55.956 0.05 . 1 . . . . . 73 SER CA . 7083 1 732 . 1 1 73 73 SER CB C 13 60.876 0.05 . 1 . . . . . 73 SER CB . 7083 1 733 . 1 1 73 73 SER N N 15 113.25 0.1 . 1 . . . . . 73 SER N . 7083 1 734 . 1 1 74 74 ALA H H 1 9.064 0.01 . 1 . . . . . 74 ALA H . 7083 1 735 . 1 1 74 74 ALA HA H 1 4.590 0.01 . 1 . . . . . 74 ALA HA . 7083 1 736 . 1 1 74 74 ALA HB1 H 1 1.318 0.01 . 1 . . . . . 74 ALA HB . 7083 1 737 . 1 1 74 74 ALA HB2 H 1 1.318 0.01 . 1 . . . . . 74 ALA HB . 7083 1 738 . 1 1 74 74 ALA HB3 H 1 1.318 0.01 . 1 . . . . . 74 ALA HB . 7083 1 739 . 1 1 74 74 ALA C C 13 173.37 0.1 . 1 . . . . . 74 ALA C . 7083 1 740 . 1 1 74 74 ALA CA C 13 49.367 0.05 . 1 . . . . . 74 ALA CA . 7083 1 741 . 1 1 74 74 ALA CB C 13 21.532 0.05 . 1 . . . . . 74 ALA CB . 7083 1 742 . 1 1 74 74 ALA N N 15 128.85 0.1 . 1 . . . . . 74 ALA N . 7083 1 743 . 1 1 75 75 SER H H 1 8.542 0.01 . 1 . . . . . 75 SER H . 7083 1 744 . 1 1 75 75 SER HA H 1 4.975 0.01 . 1 . . . . . 75 SER HA . 7083 1 745 . 1 1 75 75 SER HB2 H 1 3.722 0.01 . 1 . . . . . 75 SER HB2 . 7083 1 746 . 1 1 75 75 SER HB3 H 1 3.627 0.01 . 1 . . . . . 75 SER HB3 . 7083 1 747 . 1 1 75 75 SER C C 13 172.03 0.1 . 1 . . . . . 75 SER C . 7083 1 748 . 1 1 75 75 SER CA C 13 55.524 0.05 . 1 . . . . . 75 SER CA . 7083 1 749 . 1 1 75 75 SER CB C 13 60.456 0.05 . 1 . . . . . 75 SER CB . 7083 1 750 . 1 1 75 75 SER N N 15 117.60 0.1 . 1 . . . . . 75 SER N . 7083 1 751 . 1 1 76 76 VAL H H 1 8.119 0.01 . 1 . . . . . 76 VAL H . 7083 1 752 . 1 1 76 76 VAL HA H 1 4.226 0.01 . 1 . . . . . 76 VAL HA . 7083 1 753 . 1 1 76 76 VAL HB H 1 1.516 0.01 . 1 . . . . . 76 VAL HB . 7083 1 754 . 1 1 76 76 VAL HG11 H 1 0.433 0.01 . 1 . . . . . 76 VAL HG1 . 7083 1 755 . 1 1 76 76 VAL HG12 H 1 0.433 0.01 . 1 . . . . . 76 VAL HG1 . 7083 1 756 . 1 1 76 76 VAL HG13 H 1 0.433 0.01 . 1 . . . . . 76 VAL HG1 . 7083 1 757 . 1 1 76 76 VAL HG21 H 1 0.219 0.01 . 1 . . . . . 76 VAL HG2 . 7083 1 758 . 1 1 76 76 VAL HG22 H 1 0.219 0.01 . 1 . . . . . 76 VAL HG2 . 7083 1 759 . 1 1 76 76 VAL HG23 H 1 0.219 0.01 . 1 . . . . . 76 VAL HG2 . 7083 1 760 . 1 1 76 76 VAL C C 13 172.64 0.1 . 1 . . . . . 76 VAL C . 7083 1 761 . 1 1 76 76 VAL CA C 13 58.341 0.05 . 1 . . . . . 76 VAL CA . 7083 1 762 . 1 1 76 76 VAL CB C 13 33.850 0.05 . 1 . . . . . 76 VAL CB . 7083 1 763 . 1 1 76 76 VAL N N 15 124.61 0.1 . 1 . . . . . 76 VAL N . 7083 1 764 . 1 1 77 77 LYS H H 1 8.686 0.01 . 1 . . . . . 77 LYS H . 7083 1 765 . 1 1 77 77 LYS HA H 1 4.245 0.01 . 1 . . . . . 77 LYS HA . 7083 1 766 . 1 1 77 77 LYS HB2 H 1 1.714 0.01 . 1 . . . . . 77 LYS HB2 . 7083 1 767 . 1 1 77 77 LYS HB3 H 1 1.625 0.01 . 1 . . . . . 77 LYS HB3 . 7083 1 768 . 1 1 77 77 LYS HG2 H 1 1.343 0.01 . 1 . . . . . 77 LYS HG2 . 7083 1 769 . 1 1 77 77 LYS HG3 H 1 1.306 0.01 . 1 . . . . . 77 LYS HG3 . 7083 1 770 . 1 1 77 77 LYS HD2 H 1 1.556 0.01 . 1 . . . . . 77 LYS HD2 . 7083 1 771 . 1 1 77 77 LYS HE2 H 1 2.841 0.01 . 1 . . . . . 77 LYS HE2 . 7083 1 772 . 1 1 77 77 LYS C C 13 173.97 0.1 . 1 . . . . . 77 LYS C . 7083 1 773 . 1 1 77 77 LYS CA C 13 54.202 0.05 . 1 . . . . . 77 LYS CA . 7083 1 774 . 1 1 77 77 LYS CB C 13 30.358 0.05 . 1 . . . . . 77 LYS CB . 7083 1 775 . 1 1 77 77 LYS N N 15 127.11 0.1 . 1 . . . . . 77 LYS N . 7083 1 776 . 1 1 78 78 GLY H H 1 7.093 0.01 . 1 . . . . . 78 GLY H . 7083 1 777 . 1 1 78 78 GLY HA2 H 1 3.835 0.01 . 1 . . . . . 78 GLY HA2 . 7083 1 778 . 1 1 78 78 GLY HA3 H 1 3.675 0.01 . 1 . . . . . 78 GLY HA3 . 7083 1 779 . 1 1 78 78 GLY C C 13 168.88 0.1 . 1 . . . . . 78 GLY C . 7083 1 780 . 1 1 78 78 GLY CA C 13 43.191 0.05 . 1 . . . . . 78 GLY CA . 7083 1 781 . 1 1 78 78 GLY N N 15 107.65 0.1 . 1 . . . . . 78 GLY N . 7083 1 782 . 1 1 79 79 ILE H H 1 7.646 0.01 . 1 . . . . . 79 ILE H . 7083 1 783 . 1 1 79 79 ILE HA H 1 4.333 0.01 . 1 . . . . . 79 ILE HA . 7083 1 784 . 1 1 79 79 ILE HB H 1 0.846 0.01 . 1 . . . . . 79 ILE HB . 7083 1 785 . 1 1 79 79 ILE HG12 H 1 -0.220 0.01 . 1 . . . . . 79 ILE HG12 . 7083 1 786 . 1 1 79 79 ILE HG13 H 1 1.038 0.01 . 1 . . . . . 79 ILE HG13 . 7083 1 787 . 1 1 79 79 ILE HG21 H 1 -0.630 0.01 . 1 . . . . . 79 ILE HG2 . 7083 1 788 . 1 1 79 79 ILE HG22 H 1 -0.630 0.01 . 1 . . . . . 79 ILE HG2 . 7083 1 789 . 1 1 79 79 ILE HG23 H 1 -0.630 0.01 . 1 . . . . . 79 ILE HG2 . 7083 1 790 . 1 1 79 79 ILE HD11 H 1 -1.182 0.01 . 1 . . . . . 79 ILE HD1 . 7083 1 791 . 1 1 79 79 ILE HD12 H 1 -1.182 0.01 . 1 . . . . . 79 ILE HD1 . 7083 1 792 . 1 1 79 79 ILE HD13 H 1 -1.182 0.01 . 1 . . . . . 79 ILE HD1 . 7083 1 793 . 1 1 79 79 ILE C C 13 170.10 0.1 . 1 . . . . . 79 ILE C . 7083 1 794 . 1 1 79 79 ILE CA C 13 57.243 0.05 . 1 . . . . . 79 ILE CA . 7083 1 795 . 1 1 79 79 ILE CB C 13 35.925 0.05 . 1 . . . . . 79 ILE CB . 7083 1 796 . 1 1 79 79 ILE N N 15 120.00 0.1 . 1 . . . . . 79 ILE N . 7083 1 797 . 1 1 80 80 LYS H H 1 7.523 0.01 . 1 . . . . . 80 LYS H . 7083 1 798 . 1 1 80 80 LYS HA H 1 4.407 0.01 . 1 . . . . . 80 LYS HA . 7083 1 799 . 1 1 80 80 LYS HB2 H 1 1.470 0.01 . 1 . . . . . 80 LYS HB2 . 7083 1 800 . 1 1 80 80 LYS HG2 H 1 1.185 0.01 . 1 . . . . . 80 LYS HG2 . 7083 1 801 . 1 1 80 80 LYS HD2 H 1 1.213 0.01 . 1 . . . . . 80 LYS HD2 . 7083 1 802 . 1 1 80 80 LYS C C 13 173.93 0.1 . 1 . . . . . 80 LYS C . 7083 1 803 . 1 1 80 80 LYS CA C 13 53.385 0.05 . 1 . . . . . 80 LYS CA . 7083 1 804 . 1 1 80 80 LYS CB C 13 33.767 0.05 . 1 . . . . . 80 LYS CB . 7083 1 805 . 1 1 80 80 LYS N N 15 123.50 0.1 . 1 . . . . . 80 LYS N . 7083 1 806 . 1 1 81 81 GLU H H 1 6.781 0.01 . 1 . . . . . 81 GLU H . 7083 1 807 . 1 1 81 81 GLU HA H 1 5.518 0.01 . 1 . . . . . 81 GLU HA . 7083 1 808 . 1 1 81 81 GLU HB2 H 1 2.308 0.01 . 1 . . . . . 81 GLU HB2 . 7083 1 809 . 1 1 81 81 GLU HB3 H 1 1.725 0.01 . 1 . . . . . 81 GLU HB3 . 7083 1 810 . 1 1 81 81 GLU HG2 H 1 1.853 0.01 . 1 . . . . . 81 GLU HG2 . 7083 1 811 . 1 1 81 81 GLU C C 13 172.46 0.1 . 1 . . . . . 81 GLU C . 7083 1 812 . 1 1 81 81 GLU CA C 13 51.927 0.05 . 1 . . . . . 81 GLU CA . 7083 1 813 . 1 1 81 81 GLU CB C 13 30.024 0.05 . 1 . . . . . 81 GLU CB . 7083 1 814 . 1 1 81 81 GLU N N 15 111.60 0.1 . 1 . . . . . 81 GLU N . 7083 1 815 . 1 1 82 82 PHE H H 1 8.716 0.01 . 1 . . . . . 82 PHE H . 7083 1 816 . 1 1 82 82 PHE HA H 1 5.691 0.01 . 1 . . . . . 82 PHE HA . 7083 1 817 . 1 1 82 82 PHE HB2 H 1 2.940 0.01 . 1 . . . . . 82 PHE HB2 . 7083 1 818 . 1 1 82 82 PHE HB3 H 1 2.754 0.01 . 1 . . . . . 82 PHE HB3 . 7083 1 819 . 1 1 82 82 PHE HD1 H 1 6.367 0.01 . 1 . . . . . 82 PHE HD1 . 7083 1 820 . 1 1 82 82 PHE HE1 H 1 6.489 0.01 . 1 . . . . . 82 PHE HE1 . 7083 1 821 . 1 1 82 82 PHE C C 13 169.91 0.1 . 1 . . . . . 82 PHE C . 7083 1 822 . 1 1 82 82 PHE CA C 13 55.496 0.05 . 1 . . . . . 82 PHE CA . 7083 1 823 . 1 1 82 82 PHE CB C 13 39.909 0.05 . 1 . . . . . 82 PHE CB . 7083 1 824 . 1 1 82 82 PHE N N 15 113.32 0.1 . 1 . . . . . 82 PHE N . 7083 1 825 . 1 1 83 83 TYR H H 1 9.250 0.01 . 1 . . . . . 83 TYR H . 7083 1 826 . 1 1 83 83 TYR HA H 1 5.012 0.01 . 1 . . . . . 83 TYR HA . 7083 1 827 . 1 1 83 83 TYR HB2 H 1 3.218 0.01 . 1 . . . . . 83 TYR HB2 . 7083 1 828 . 1 1 83 83 TYR HD1 H 1 6.835 0.01 . 1 . . . . . 83 TYR HD1 . 7083 1 829 . 1 1 83 83 TYR HE1 H 1 6.198 0.01 . 1 . . . . . 83 TYR HE1 . 7083 1 830 . 1 1 83 83 TYR C C 13 169.86 0.1 . 1 . . . . . 83 TYR C . 7083 1 831 . 1 1 83 83 TYR CA C 13 54.409 0.05 . 1 . . . . . 83 TYR CA . 7083 1 832 . 1 1 83 83 TYR CB C 13 38.866 0.05 . 1 . . . . . 83 TYR CB . 7083 1 833 . 1 1 83 83 TYR N N 15 114.39 0.1 . 1 . . . . . 83 TYR N . 7083 1 834 . 1 1 84 84 ILE H H 1 8.639 0.01 . 1 . . . . . 84 ILE H . 7083 1 835 . 1 1 84 84 ILE HA H 1 4.917 0.01 . 1 . . . . . 84 ILE HA . 7083 1 836 . 1 1 84 84 ILE HB H 1 1.879 0.01 . 1 . . . . . 84 ILE HB . 7083 1 837 . 1 1 84 84 ILE HG12 H 1 0.849 0.01 . 1 . . . . . 84 ILE HG12 . 7083 1 838 . 1 1 84 84 ILE HG21 H 1 0.683 0.01 . 1 . . . . . 84 ILE HG2 . 7083 1 839 . 1 1 84 84 ILE HG22 H 1 0.683 0.01 . 1 . . . . . 84 ILE HG2 . 7083 1 840 . 1 1 84 84 ILE HG23 H 1 0.683 0.01 . 1 . . . . . 84 ILE HG2 . 7083 1 841 . 1 1 84 84 ILE HD11 H 1 0.446 0.01 . 1 . . . . . 84 ILE HD1 . 7083 1 842 . 1 1 84 84 ILE HD12 H 1 0.446 0.01 . 1 . . . . . 84 ILE HD1 . 7083 1 843 . 1 1 84 84 ILE HD13 H 1 0.446 0.01 . 1 . . . . . 84 ILE HD1 . 7083 1 844 . 1 1 84 84 ILE C C 13 171.83 0.1 . 1 . . . . . 84 ILE C . 7083 1 845 . 1 1 84 84 ILE CA C 13 57.210 0.05 . 1 . . . . . 84 ILE CA . 7083 1 846 . 1 1 84 84 ILE CB C 13 38.029 0.05 . 1 . . . . . 84 ILE CB . 7083 1 847 . 1 1 84 84 ILE N N 15 118.30 0.1 . 1 . . . . . 84 ILE N . 7083 1 848 . 1 1 85 85 LYS H H 1 9.482 0.01 . 1 . . . . . 85 LYS H . 7083 1 849 . 1 1 85 85 LYS HA H 1 4.849 0.01 . 1 . . . . . 85 LYS HA . 7083 1 850 . 1 1 85 85 LYS HB2 H 1 1.841 0.01 . 1 . . . . . 85 LYS HB2 . 7083 1 851 . 1 1 85 85 LYS HB3 H 1 1.818 0.01 . 1 . . . . . 85 LYS HB3 . 7083 1 852 . 1 1 85 85 LYS HG2 H 1 1.330 0.01 . 1 . . . . . 85 LYS HG2 . 7083 1 853 . 1 1 85 85 LYS HG3 H 1 1.473 0.01 . 1 . . . . . 85 LYS HG3 . 7083 1 854 . 1 1 85 85 LYS HD2 H 1 1.019 0.01 . 1 . . . . . 85 LYS HD2 . 7083 1 855 . 1 1 85 85 LYS HD3 H 1 0.941 0.01 . 1 . . . . . 85 LYS HD3 . 7083 1 856 . 1 1 85 85 LYS HE2 H 1 2.678 0.01 . 1 . . . . . 85 LYS HE2 . 7083 1 857 . 1 1 85 85 LYS C C 13 170.82 0.1 . 1 . . . . . 85 LYS C . 7083 1 858 . 1 1 85 85 LYS CA C 13 52.929 0.05 . 1 . . . . . 85 LYS CA . 7083 1 859 . 1 1 85 85 LYS CB C 13 34.826 0.05 . 1 . . . . . 85 LYS CB . 7083 1 860 . 1 1 85 85 LYS N N 15 129.40 0.1 . 1 . . . . . 85 LYS N . 7083 1 861 . 1 1 86 86 TYR H H 1 9.170 0.01 . 1 . . . . . 86 TYR H . 7083 1 862 . 1 1 86 86 TYR HA H 1 5.557 0.01 . 1 . . . . . 86 TYR HA . 7083 1 863 . 1 1 86 86 TYR HB2 H 1 2.774 0.01 . 1 . . . . . 86 TYR HB2 . 7083 1 864 . 1 1 86 86 TYR HB3 H 1 2.477 0.01 . 1 . . . . . 86 TYR HB3 . 7083 1 865 . 1 1 86 86 TYR HD1 H 1 6.495 0.01 . 1 . . . . . 86 TYR HD1 . 7083 1 866 . 1 1 86 86 TYR HE1 H 1 6.164 0.01 . 1 . . . . . 86 TYR HE1 . 7083 1 867 . 1 1 86 86 TYR C C 13 170.54 0.1 . 1 . . . . . 86 TYR C . 7083 1 868 . 1 1 86 86 TYR CA C 13 50.396 0.05 . 1 . . . . . 86 TYR CA . 7083 1 869 . 1 1 86 86 TYR CB C 13 38.181 0.05 . 1 . . . . . 86 TYR CB . 7083 1 870 . 1 1 86 86 TYR N N 15 128.09 0.1 . 1 . . . . . 86 TYR N . 7083 1 871 . 1 1 87 87 GLU H H 1 9.157 0.01 . 1 . . . . . 87 GLU H . 7083 1 872 . 1 1 87 87 GLU HA H 1 4.925 0.01 . 1 . . . . . 87 GLU HA . 7083 1 873 . 1 1 87 87 GLU HB2 H 1 1.619 0.01 . 1 . . . . . 87 GLU HB2 . 7083 1 874 . 1 1 87 87 GLU HB3 H 1 1.722 0.01 . 1 . . . . . 87 GLU HB3 . 7083 1 875 . 1 1 87 87 GLU HG2 H 1 2.018 0.01 . 1 . . . . . 87 GLU HG2 . 7083 1 876 . 1 1 87 87 GLU HG3 H 1 1.815 0.01 . 1 . . . . . 87 GLU HG3 . 7083 1 877 . 1 1 87 87 GLU C C 13 172.72 0.1 . 1 . . . . . 87 GLU C . 7083 1 878 . 1 1 87 87 GLU CA C 13 52.092 0.05 . 1 . . . . . 87 GLU CA . 7083 1 879 . 1 1 87 87 GLU CB C 13 30.639 0.05 . 1 . . . . . 87 GLU CB . 7083 1 880 . 1 1 87 87 GLU N N 15 128.16 0.1 . 1 . . . . . 87 GLU N . 7083 1 881 . 1 1 88 88 VAL H H 1 8.167 0.01 . 1 . . . . . 88 VAL H . 7083 1 882 . 1 1 88 88 VAL HA H 1 4.237 0.01 . 1 . . . . . 88 VAL HA . 7083 1 883 . 1 1 88 88 VAL HB H 1 1.852 0.01 . 1 . . . . . 88 VAL HB . 7083 1 884 . 1 1 88 88 VAL HG11 H 1 0.760 0.01 . 1 . . . . . 88 VAL HG1 . 7083 1 885 . 1 1 88 88 VAL HG12 H 1 0.760 0.01 . 1 . . . . . 88 VAL HG1 . 7083 1 886 . 1 1 88 88 VAL HG13 H 1 0.760 0.01 . 1 . . . . . 88 VAL HG1 . 7083 1 887 . 1 1 88 88 VAL HG21 H 1 0.202 0.01 . 1 . . . . . 88 VAL HG2 . 7083 1 888 . 1 1 88 88 VAL HG22 H 1 0.202 0.01 . 1 . . . . . 88 VAL HG2 . 7083 1 889 . 1 1 88 88 VAL HG23 H 1 0.202 0.01 . 1 . . . . . 88 VAL HG2 . 7083 1 890 . 1 1 88 88 VAL C C 13 171.22 0.1 . 1 . . . . . 88 VAL C . 7083 1 891 . 1 1 88 88 VAL CA C 13 58.403 0.05 . 1 . . . . . 88 VAL CA . 7083 1 892 . 1 1 88 88 VAL CB C 13 30.874 0.05 . 1 . . . . . 88 VAL CB . 7083 1 893 . 1 1 88 88 VAL N N 15 122.89 0.1 . 1 . . . . . 88 VAL N . 7083 1 894 . 1 1 89 89 SER H H 1 9.314 0.01 . 1 . . . . . 89 SER H . 7083 1 895 . 1 1 89 89 SER HA H 1 3.731 0.01 . 1 . . . . . 89 SER HA . 7083 1 896 . 1 1 89 89 SER HB2 H 1 3.423 0.01 . 1 . . . . . 89 SER HB2 . 7083 1 897 . 1 1 89 89 SER HB3 H 1 3.876 0.01 . 1 . . . . . 89 SER HB3 . 7083 1 898 . 1 1 89 89 SER C C 13 172.24 0.1 . 1 . . . . . 89 SER C . 7083 1 899 . 1 1 89 89 SER CA C 13 55.942 0.05 . 1 . . . . . 89 SER CA . 7083 1 900 . 1 1 89 89 SER CB C 13 60.359 0.05 . 1 . . . . . 89 SER CB . 7083 1 901 . 1 1 89 89 SER N N 15 122.71 0.1 . 1 . . . . . 89 SER N . 7083 1 902 . 1 1 90 90 GLY H H 1 8.423 0.01 . 1 . . . . . 90 GLY H . 7083 1 903 . 1 1 90 90 GLY HA2 H 1 3.866 0.01 . 1 . . . . . 90 GLY HA2 . 7083 1 904 . 1 1 90 90 GLY HA3 H 1 3.371 0.01 . 1 . . . . . 90 GLY HA3 . 7083 1 905 . 1 1 90 90 GLY C C 13 171.66 0.1 . 1 . . . . . 90 GLY C . 7083 1 906 . 1 1 90 90 GLY CA C 13 43.093 0.05 . 1 . . . . . 90 GLY CA . 7083 1 907 . 1 1 90 90 GLY N N 15 105.33 0.1 . 1 . . . . . 90 GLY N . 7083 1 908 . 1 1 91 91 LYS H H 1 7.879 0.01 . 1 . . . . . 91 LYS H . 7083 1 909 . 1 1 91 91 LYS HA H 1 4.242 0.01 . 1 . . . . . 91 LYS HA . 7083 1 910 . 1 1 91 91 LYS HB2 H 1 1.400 0.01 . 1 . . . . . 91 LYS HB2 . 7083 1 911 . 1 1 91 91 LYS HG2 H 1 1.037 0.01 . 1 . . . . . 91 LYS HG2 . 7083 1 912 . 1 1 91 91 LYS HG3 H 1 1.079 0.01 . 1 . . . . . 91 LYS HG3 . 7083 1 913 . 1 1 91 91 LYS HD2 H 1 1.823 0.01 . 1 . . . . . 91 LYS HD2 . 7083 1 914 . 1 1 91 91 LYS HE2 H 1 2.737 0.01 . 1 . . . . . 91 LYS HE2 . 7083 1 915 . 1 1 91 91 LYS C C 13 172.76 0.1 . 1 . . . . . 91 LYS C . 7083 1 916 . 1 1 91 91 LYS CA C 13 51.978 0.05 . 1 . . . . . 91 LYS CA . 7083 1 917 . 1 1 91 91 LYS CB C 13 32.945 0.05 . 1 . . . . . 91 LYS CB . 7083 1 918 . 1 1 91 91 LYS N N 15 121.50 0.1 . 1 . . . . . 91 LYS N . 7083 1 919 . 1 1 92 92 THR H H 1 7.591 0.01 . 1 . . . . . 92 THR H . 7083 1 920 . 1 1 92 92 THR HA H 1 4.496 0.01 . 1 . . . . . 92 THR HA . 7083 1 921 . 1 1 92 92 THR HB H 1 3.366 0.01 . 1 . . . . . 92 THR HB . 7083 1 922 . 1 1 92 92 THR HG21 H 1 0.435 0.01 . 1 . . . . . 92 THR HG2 . 7083 1 923 . 1 1 92 92 THR HG22 H 1 0.435 0.01 . 1 . . . . . 92 THR HG2 . 7083 1 924 . 1 1 92 92 THR HG23 H 1 0.435 0.01 . 1 . . . . . 92 THR HG2 . 7083 1 925 . 1 1 92 92 THR C C 13 170.03 0.1 . 1 . . . . . 92 THR C . 7083 1 926 . 1 1 92 92 THR CA C 13 59.475 0.05 . 1 . . . . . 92 THR CA . 7083 1 927 . 1 1 92 92 THR CB C 13 67.855 0.05 . 1 . . . . . 92 THR CB . 7083 1 928 . 1 1 92 92 THR N N 15 115.60 0.1 . 1 . . . . . 92 THR N . 7083 1 929 . 1 1 93 93 TYR H H 1 9.229 0.01 . 1 . . . . . 93 TYR H . 7083 1 930 . 1 1 93 93 TYR HA H 1 4.538 0.01 . 1 . . . . . 93 TYR HA . 7083 1 931 . 1 1 93 93 TYR HB2 H 1 3.159 0.01 . 1 . . . . . 93 TYR HB2 . 7083 1 932 . 1 1 93 93 TYR HB3 H 1 2.398 0.01 . 1 . . . . . 93 TYR HB3 . 7083 1 933 . 1 1 93 93 TYR HD1 H 1 6.631 0.01 . 1 . . . . . 93 TYR HD1 . 7083 1 934 . 1 1 93 93 TYR HE1 H 1 6.306 0.01 . 1 . . . . . 93 TYR HE1 . 7083 1 935 . 1 1 93 93 TYR C C 13 171.32 0.1 . 1 . . . . . 93 TYR C . 7083 1 936 . 1 1 93 93 TYR CA C 13 53.600 0.05 . 1 . . . . . 93 TYR CA . 7083 1 937 . 1 1 93 93 TYR CB C 13 39.820 0.05 . 1 . . . . . 93 TYR CB . 7083 1 938 . 1 1 93 93 TYR N N 15 125.99 0.1 . 1 . . . . . 93 TYR N . 7083 1 939 . 1 1 94 94 TYR H H 1 8.828 0.01 . 1 . . . . . 94 TYR H . 7083 1 940 . 1 1 94 94 TYR HA H 1 5.494 0.01 . 1 . . . . . 94 TYR HA . 7083 1 941 . 1 1 94 94 TYR HB2 H 1 2.580 0.01 . 1 . . . . . 94 TYR HB2 . 7083 1 942 . 1 1 94 94 TYR HB3 H 1 2.501 0.01 . 1 . . . . . 94 TYR HB3 . 7083 1 943 . 1 1 94 94 TYR HD1 H 1 6.870 0.01 . 1 . . . . . 94 TYR HD1 . 7083 1 944 . 1 1 94 94 TYR HE1 H 1 6.459 0.01 . 1 . . . . . 94 TYR HE1 . 7083 1 945 . 1 1 94 94 TYR C C 13 175.35 0.1 . 1 . . . . . 94 TYR C . 7083 1 946 . 1 1 94 94 TYR CA C 13 54.310 0.05 . 1 . . . . . 94 TYR CA . 7083 1 947 . 1 1 94 94 TYR CB C 13 40.207 0.05 . 1 . . . . . 94 TYR CB . 7083 1 948 . 1 1 94 94 TYR N N 15 116.81 0.1 . 1 . . . . . 94 TYR N . 7083 1 949 . 1 1 95 95 ASP H H 1 8.761 0.01 . 1 . . . . . 95 ASP H . 7083 1 950 . 1 1 95 95 ASP HA H 1 5.070 0.01 . 1 . . . . . 95 ASP HA . 7083 1 951 . 1 1 95 95 ASP HB2 H 1 2.833 0.01 . 1 . . . . . 95 ASP HB2 . 7083 1 952 . 1 1 95 95 ASP HB3 H 1 2.722 0.01 . 1 . . . . . 95 ASP HB3 . 7083 1 953 . 1 1 95 95 ASP C C 13 174.27 0.1 . 1 . . . . . 95 ASP C . 7083 1 954 . 1 1 95 95 ASP CA C 13 52.193 0.05 . 1 . . . . . 95 ASP CA . 7083 1 955 . 1 1 95 95 ASP CB C 13 39.576 0.05 . 1 . . . . . 95 ASP CB . 7083 1 956 . 1 1 95 95 ASP N N 15 117.22 0.1 . 1 . . . . . 95 ASP N . 7083 1 957 . 1 1 96 96 ASN H H 1 8.383 0.01 . 1 . . . . . 96 ASN H . 7083 1 958 . 1 1 96 96 ASN HA H 1 4.797 0.01 . 1 . . . . . 96 ASN HA . 7083 1 959 . 1 1 96 96 ASN HB2 H 1 3.117 0.01 . 1 . . . . . 96 ASN HB2 . 7083 1 960 . 1 1 96 96 ASN HB3 H 1 1.936 0.01 . 1 . . . . . 96 ASN HB3 . 7083 1 961 . 1 1 96 96 ASN HD21 H 1 6.940 0.01 . 1 . . . . . 96 ASN HD21 . 7083 1 962 . 1 1 96 96 ASN HD22 H 1 6.588 0.01 . 1 . . . . . 96 ASN HD22 . 7083 1 963 . 1 1 96 96 ASN C C 13 173.35 0.1 . 1 . . . . . 96 ASN C . 7083 1 964 . 1 1 96 96 ASN CA C 13 47.822 0.05 . 1 . . . . . 96 ASN CA . 7083 1 965 . 1 1 96 96 ASN CB C 13 35.686 0.05 . 1 . . . . . 96 ASN CB . 7083 1 966 . 1 1 96 96 ASN N N 15 121.12 0.1 . 1 . . . . . 96 ASN N . 7083 1 967 . 1 1 96 96 ASN ND2 N 15 111.21 0.1 . 1 . . . . . 96 ASN ND2 . 7083 1 968 . 1 1 97 97 ASN H H 1 8.667 0.01 . 1 . . . . . 97 ASN H . 7083 1 969 . 1 1 97 97 ASN HA H 1 3.997 0.01 . 1 . . . . . 97 ASN HA . 7083 1 970 . 1 1 97 97 ASN HB2 H 1 2.102 0.01 . 1 . . . . . 97 ASN HB2 . 7083 1 971 . 1 1 97 97 ASN HB3 H 1 -0.090 0.01 . 1 . . . . . 97 ASN HB3 . 7083 1 972 . 1 1 97 97 ASN HD21 H 1 6.571 0.01 . 1 . . . . . 97 ASN HD21 . 7083 1 973 . 1 1 97 97 ASN HD22 H 1 6.474 0.01 . 1 . . . . . 97 ASN HD22 . 7083 1 974 . 1 1 97 97 ASN C C 13 173.96 0.1 . 1 . . . . . 97 ASN C . 7083 1 975 . 1 1 97 97 ASN CA C 13 50.700 0.05 . 1 . . . . . 97 ASN CA . 7083 1 976 . 1 1 97 97 ASN CB C 13 32.683 0.05 . 1 . . . . . 97 ASN CB . 7083 1 977 . 1 1 97 97 ASN N N 15 119.61 0.1 . 1 . . . . . 97 ASN N . 7083 1 978 . 1 1 97 97 ASN ND2 N 15 108.79 0.1 . 1 . . . . . 97 ASN ND2 . 7083 1 979 . 1 1 98 98 ASN H H 1 9.169 0.01 . 1 . . . . . 98 ASN H . 7083 1 980 . 1 1 98 98 ASN HA H 1 4.186 0.01 . 1 . . . . . 98 ASN HA . 7083 1 981 . 1 1 98 98 ASN HB2 H 1 2.493 0.01 . 1 . . . . . 98 ASN HB2 . 7083 1 982 . 1 1 98 98 ASN HB3 H 1 2.821 0.01 . 1 . . . . . 98 ASN HB3 . 7083 1 983 . 1 1 98 98 ASN HD21 H 1 7.425 0.01 . 1 . . . . . 98 ASN HD21 . 7083 1 984 . 1 1 98 98 ASN HD22 H 1 6.711 0.01 . 1 . . . . . 98 ASN HD22 . 7083 1 985 . 1 1 98 98 ASN C C 13 172.37 0.1 . 1 . . . . . 98 ASN C . 7083 1 986 . 1 1 98 98 ASN CA C 13 52.232 0.05 . 1 . . . . . 98 ASN CA . 7083 1 987 . 1 1 98 98 ASN CB C 13 34.889 0.05 . 1 . . . . . 98 ASN CB . 7083 1 988 . 1 1 98 98 ASN N N 15 116.79 0.1 . 1 . . . . . 98 ASN N . 7083 1 989 . 1 1 98 98 ASN ND2 N 15 113.38 0.1 . 1 . . . . . 98 ASN ND2 . 7083 1 990 . 1 1 99 99 SER H H 1 7.165 0.01 . 1 . . . . . 99 SER H . 7083 1 991 . 1 1 99 99 SER HA H 1 3.323 0.01 . 1 . . . . . 99 SER HA . 7083 1 992 . 1 1 99 99 SER HB2 H 1 3.660 0.01 . 1 . . . . . 99 SER HB2 . 7083 1 993 . 1 1 99 99 SER HB3 H 1 3.988 0.01 . 1 . . . . . 99 SER HB3 . 7083 1 994 . 1 1 99 99 SER C C 13 170.48 0.1 . 1 . . . . . 99 SER C . 7083 1 995 . 1 1 99 99 SER CA C 13 59.543 0.05 . 1 . . . . . 99 SER CA . 7083 1 996 . 1 1 99 99 SER N N 15 108.49 0.1 . 1 . . . . . 99 SER N . 7083 1 997 . 1 1 100 100 ALA H H 1 7.177 0.01 . 1 . . . . . 100 ALA H . 7083 1 998 . 1 1 100 100 ALA HA H 1 4.025 0.01 . 1 . . . . . 100 ALA HA . 7083 1 999 . 1 1 100 100 ALA HB1 H 1 1.322 0.01 . 1 . . . . . 100 ALA HB . 7083 1 1000 . 1 1 100 100 ALA HB2 H 1 1.322 0.01 . 1 . . . . . 100 ALA HB . 7083 1 1001 . 1 1 100 100 ALA HB3 H 1 1.322 0.01 . 1 . . . . . 100 ALA HB . 7083 1 1002 . 1 1 100 100 ALA C C 13 176.95 0.1 . 1 . . . . . 100 ALA C . 7083 1 1003 . 1 1 100 100 ALA CA C 13 51.344 0.05 . 1 . . . . . 100 ALA CA . 7083 1 1004 . 1 1 100 100 ALA CB C 13 18.135 0.05 . 1 . . . . . 100 ALA CB . 7083 1 1005 . 1 1 100 100 ALA N N 15 123.98 0.1 . 1 . . . . . 100 ALA N . 7083 1 1006 . 1 1 101 101 ASN H H 1 7.899 0.01 . 1 . . . . . 101 ASN H . 7083 1 1007 . 1 1 101 101 ASN HA H 1 3.542 0.01 . 1 . . . . . 101 ASN HA . 7083 1 1008 . 1 1 101 101 ASN HB2 H 1 2.503 0.01 . 1 . . . . . 101 ASN HB2 . 7083 1 1009 . 1 1 101 101 ASN HD21 H 1 6.957 0.01 . 1 . . . . . 101 ASN HD21 . 7083 1 1010 . 1 1 101 101 ASN HD22 H 1 6.309 0.01 . 1 . . . . . 101 ASN HD22 . 7083 1 1011 . 1 1 101 101 ASN C C 13 171.72 0.1 . 1 . . . . . 101 ASN C . 7083 1 1012 . 1 1 101 101 ASN CA C 13 52.649 0.05 . 1 . . . . . 101 ASN CA . 7083 1 1013 . 1 1 101 101 ASN CB C 13 36.478 0.05 . 1 . . . . . 101 ASN CB . 7083 1 1014 . 1 1 101 101 ASN N N 15 105.30 0.1 . 1 . . . . . 101 ASN N . 7083 1 1015 . 1 1 101 101 ASN ND2 N 15 111.51 0.1 . 1 . . . . . 101 ASN ND2 . 7083 1 1016 . 1 1 102 102 TYR H H 1 8.265 0.01 . 1 . . . . . 102 TYR H . 7083 1 1017 . 1 1 102 102 TYR HA H 1 4.175 0.01 . 1 . . . . . 102 TYR HA . 7083 1 1018 . 1 1 102 102 TYR HB2 H 1 1.767 0.01 . 1 . . . . . 102 TYR HB2 . 7083 1 1019 . 1 1 102 102 TYR HB3 H 1 0.482 0.01 . 1 . . . . . 102 TYR HB3 . 7083 1 1020 . 1 1 102 102 TYR HD1 H 1 6.667 0.01 . 1 . . . . . 102 TYR HD1 . 7083 1 1021 . 1 1 102 102 TYR HE1 H 1 6.138 0.01 . 1 . . . . . 102 TYR HE1 . 7083 1 1022 . 1 1 102 102 TYR C C 13 173.23 0.1 . 1 . . . . . 102 TYR C . 7083 1 1023 . 1 1 102 102 TYR CA C 13 56.832 0.05 . 1 . . . . . 102 TYR CA . 7083 1 1024 . 1 1 102 102 TYR CB C 13 35.776 0.05 . 1 . . . . . 102 TYR CB . 7083 1 1025 . 1 1 102 102 TYR N N 15 119.39 0.1 . 1 . . . . . 102 TYR N . 7083 1 1026 . 1 1 103 103 GLN H H 1 8.559 0.01 . 1 . . . . . 103 GLN H . 7083 1 1027 . 1 1 103 103 GLN HA H 1 4.326 0.01 . 1 . . . . . 103 GLN HA . 7083 1 1028 . 1 1 103 103 GLN HB2 H 1 1.821 0.01 . 1 . . . . . 103 GLN HB2 . 7083 1 1029 . 1 1 103 103 GLN HB3 H 1 1.779 0.01 . 1 . . . . . 103 GLN HB3 . 7083 1 1030 . 1 1 103 103 GLN HG2 H 1 2.218 0.01 . 1 . . . . . 103 GLN HG2 . 7083 1 1031 . 1 1 103 103 GLN HG3 H 1 2.020 0.01 . 1 . . . . . 103 GLN HG3 . 7083 1 1032 . 1 1 103 103 GLN HE21 H 1 6.665 0.01 . 1 . . . . . 103 GLN HE21 . 7083 1 1033 . 1 1 103 103 GLN HE22 H 1 6.990 0.01 . 1 . . . . . 103 GLN HE22 . 7083 1 1034 . 1 1 103 103 GLN C C 13 173.83 0.1 . 1 . . . . . 103 GLN C . 7083 1 1035 . 1 1 103 103 GLN CA C 13 51.953 0.05 . 1 . . . . . 103 GLN CA . 7083 1 1036 . 1 1 103 103 GLN CB C 13 27.007 0.05 . 1 . . . . . 103 GLN CB . 7083 1 1037 . 1 1 103 103 GLN N N 15 120.60 0.1 . 1 . . . . . 103 GLN N . 7083 1 1038 . 1 1 103 103 GLN NE2 N 15 115.98 0.1 . 1 . . . . . 103 GLN NE2 . 7083 1 1039 . 1 1 104 104 VAL H H 1 7.857 0.01 . 1 . . . . . 104 VAL H . 7083 1 1040 . 1 1 104 104 VAL HA H 1 4.148 0.01 . 1 . . . . . 104 VAL HA . 7083 1 1041 . 1 1 104 104 VAL HB H 1 1.416 0.01 . 1 . . . . . 104 VAL HB . 7083 1 1042 . 1 1 104 104 VAL HG11 H 1 0.573 0.01 . 1 . . . . . 104 VAL HG1 . 7083 1 1043 . 1 1 104 104 VAL HG12 H 1 0.573 0.01 . 1 . . . . . 104 VAL HG1 . 7083 1 1044 . 1 1 104 104 VAL HG13 H 1 0.573 0.01 . 1 . . . . . 104 VAL HG1 . 7083 1 1045 . 1 1 104 104 VAL HG21 H 1 0.325 0.01 . 1 . . . . . 104 VAL HG2 . 7083 1 1046 . 1 1 104 104 VAL HG22 H 1 0.325 0.01 . 1 . . . . . 104 VAL HG2 . 7083 1 1047 . 1 1 104 104 VAL HG23 H 1 0.325 0.01 . 1 . . . . . 104 VAL HG2 . 7083 1 1048 . 1 1 104 104 VAL C C 13 173.26 0.1 . 1 . . . . . 104 VAL C . 7083 1 1049 . 1 1 104 104 VAL CA C 13 60.406 0.05 . 1 . . . . . 104 VAL CA . 7083 1 1050 . 1 1 104 104 VAL CB C 13 30.011 0.05 . 1 . . . . . 104 VAL CB . 7083 1 1051 . 1 1 104 104 VAL N N 15 124.02 0.1 . 1 . . . . . 104 VAL N . 7083 1 1052 . 1 1 105 105 SER H H 1 8.323 0.01 . 1 . . . . . 105 SER H . 7083 1 1053 . 1 1 105 105 SER HA H 1 4.576 0.01 . 1 . . . . . 105 SER HA . 7083 1 1054 . 1 1 105 105 SER HB2 H 1 3.768 0.01 . 1 . . . . . 105 SER HB2 . 7083 1 1055 . 1 1 105 105 SER C C 13 171.40 0.1 . 1 . . . . . 105 SER C . 7083 1 1056 . 1 1 105 105 SER CA C 13 55.545 0.05 . 1 . . . . . 105 SER CA . 7083 1 1057 . 1 1 105 105 SER CB C 13 62.249 0.05 . 1 . . . . . 105 SER CB . 7083 1 1058 . 1 1 105 105 SER N N 15 121.40 0.1 . 1 . . . . . 105 SER N . 7083 1 1059 . 1 1 106 106 THR H H 1 7.830 0.01 . 1 . . . . . 106 THR H . 7083 1 1060 . 1 1 106 106 THR HA H 1 4.154 0.01 . 1 . . . . . 106 THR HA . 7083 1 1061 . 1 1 106 106 THR HB H 1 4.134 0.01 . 1 . . . . . 106 THR HB . 7083 1 1062 . 1 1 106 106 THR HG21 H 1 1.020 0.01 . 1 . . . . . 106 THR HG2 . 7083 1 1063 . 1 1 106 106 THR HG22 H 1 1.020 0.01 . 1 . . . . . 106 THR HG2 . 7083 1 1064 . 1 1 106 106 THR HG23 H 1 1.020 0.01 . 1 . . . . . 106 THR HG2 . 7083 1 1065 . 1 1 106 106 THR C C 13 176.79 0.1 . 1 . . . . . 106 THR C . 7083 1 1066 . 1 1 106 106 THR CA C 13 60.710 0.05 . 1 . . . . . 106 THR CA . 7083 1 1067 . 1 1 106 106 THR CB C 13 68.276 0.05 . 1 . . . . . 106 THR CB . 7083 1 1068 . 1 1 106 106 THR N N 15 119.88 0.1 . 1 . . . . . 106 THR N . 7083 1 stop_ save_