################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16335 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D CBCA(CO)NH' . . . 16335 1 3 '3D HNCO' . . . 16335 1 5 '3D H(CCO)NH' . . . 16335 1 6 '3D C(CO)NH' . . . 16335 1 7 '3D HCCH-TOCSY' . . . 16335 1 9 '3D 1H-13C NOESY' . . . 16335 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ILE HA H 1 4.504 0.003 . 1 . . . . 3 I HA . 16335 1 2 . 1 1 3 3 ILE HB H 1 1.742 0.008 . 1 . . . . 3 I HB . 16335 1 3 . 1 1 3 3 ILE HD11 H 1 0.654 0.001 . 2 . . . . 3 I QD1 . 16335 1 4 . 1 1 3 3 ILE HD12 H 1 0.654 0.001 . 2 . . . . 3 I QD1 . 16335 1 5 . 1 1 3 3 ILE HD13 H 1 0.654 0.001 . 2 . . . . 3 I QD1 . 16335 1 6 . 1 1 3 3 ILE HG12 H 1 1.484 0.014 . 2 . . . . 3 I QG1 . 16335 1 7 . 1 1 3 3 ILE HG13 H 1 1.484 0.014 . 2 . . . . 3 I QG1 . 16335 1 8 . 1 1 3 3 ILE HG21 H 1 0.516 0.006 . 2 . . . . 3 I QG2 . 16335 1 9 . 1 1 3 3 ILE HG22 H 1 0.516 0.006 . 2 . . . . 3 I QG2 . 16335 1 10 . 1 1 3 3 ILE HG23 H 1 0.516 0.006 . 2 . . . . 3 I QG2 . 16335 1 11 . 1 1 3 3 ILE CA C 13 59.998 0.037 . 1 . . . . 3 I CA . 16335 1 12 . 1 1 3 3 ILE CD1 C 13 14.098 0.066 . 1 . . . . 3 I CD1 . 16335 1 13 . 1 1 3 3 ILE CG2 C 13 15.706 0.050 . 1 . . . . 3 I CG2 . 16335 1 14 . 1 1 4 4 TYR HA H 1 5.468 0.016 . 1 . . . . 4 Y HA . 16335 1 15 . 1 1 4 4 TYR HB2 H 1 2.465 0.026 . 2 . . . . 4 Y QB . 16335 1 16 . 1 1 4 4 TYR HB3 H 1 2.465 0.026 . 2 . . . . 4 Y QB . 16335 1 17 . 1 1 4 4 TYR HD1 H 1 6.596 0.005 . 3 . . . . 4 Y QD . 16335 1 18 . 1 1 4 4 TYR HD2 H 1 6.596 0.005 . 3 . . . . 4 Y QD . 16335 1 19 . 1 1 4 4 TYR HE1 H 1 6.473 0.003 . 3 . . . . 4 Y QE . 16335 1 20 . 1 1 4 4 TYR HE2 H 1 6.473 0.003 . 3 . . . . 4 Y QE . 16335 1 21 . 1 1 4 4 TYR C C 13 175.217 0.000 . 1 . . . . 4 Y C . 16335 1 22 . 1 1 4 4 TYR CA C 13 55.557 0.038 . 1 . . . . 4 Y CA . 16335 1 23 . 1 1 4 4 TYR CB C 13 42.803 0.086 . 1 . . . . 4 Y CB . 16335 1 24 . 1 1 4 4 TYR CD1 C 13 133.520 0.032 . 3 . . . . 4 Y CD1 . 16335 1 25 . 1 1 4 4 TYR CE1 C 13 116.967 0.009 . 3 . . . . 4 Y CE1 . 16335 1 26 . 1 1 5 5 ALA H H 1 8.346 0.006 . 1 . . . . 5 A H . 16335 1 27 . 1 1 5 5 ALA HA H 1 5.059 0.018 . 1 . . . . 5 A HA . 16335 1 28 . 1 1 5 5 ALA HB1 H 1 1.220 0.008 . 2 . . . . 5 A QB . 16335 1 29 . 1 1 5 5 ALA HB2 H 1 1.220 0.008 . 2 . . . . 5 A QB . 16335 1 30 . 1 1 5 5 ALA HB3 H 1 1.220 0.008 . 2 . . . . 5 A QB . 16335 1 31 . 1 1 5 5 ALA C C 13 178.046 0.000 . 1 . . . . 5 A C . 16335 1 32 . 1 1 5 5 ALA CA C 13 50.850 0.063 . 1 . . . . 5 A CA . 16335 1 33 . 1 1 5 5 ALA CB C 13 19.091 0.050 . 1 . . . . 5 A CB . 16335 1 34 . 1 1 5 5 ALA N N 15 120.574 0.048 . 1 . . . . 5 A N . 16335 1 35 . 1 1 6 6 SER H H 1 9.418 0.007 . 1 . . . . 6 S H . 16335 1 36 . 1 1 6 6 SER HA H 1 4.729 0.013 . 1 . . . . 6 S HA . 16335 1 37 . 1 1 6 6 SER HB2 H 1 3.759 0.019 . 2 . . . . 6 S HB2 . 16335 1 38 . 1 1 6 6 SER HB3 H 1 3.890 0.008 . 2 . . . . 6 S HB3 . 16335 1 39 . 1 1 6 6 SER C C 13 174.434 0.000 . 1 . . . . 6 S C . 16335 1 40 . 1 1 6 6 SER CA C 13 58.257 0.118 . 1 . . . . 6 S CA . 16335 1 41 . 1 1 6 6 SER CB C 13 64.521 0.121 . 1 . . . . 6 S CB . 16335 1 42 . 1 1 6 6 SER N N 15 119.626 0.060 . 1 . . . . 6 S N . 16335 1 43 . 1 1 7 7 SER H H 1 7.472 0.002 . 1 . . . . 7 S H . 16335 1 44 . 1 1 7 7 SER HA H 1 4.490 0.007 . 1 . . . . 7 S HA . 16335 1 45 . 1 1 7 7 SER HB2 H 1 3.784 0.013 . 2 . . . . 7 S QB . 16335 1 46 . 1 1 7 7 SER HB3 H 1 3.784 0.013 . 2 . . . . 7 S QB . 16335 1 47 . 1 1 7 7 SER C C 13 171.907 0.000 . 1 . . . . 7 S C . 16335 1 48 . 1 1 7 7 SER CA C 13 58.535 0.049 . 1 . . . . 7 S CA . 16335 1 49 . 1 1 7 7 SER CB C 13 64.127 0.033 . 1 . . . . 7 S CB . 16335 1 50 . 1 1 7 7 SER N N 15 114.027 0.057 . 1 . . . . 7 S N . 16335 1 51 . 1 1 8 8 VAL H H 1 8.483 0.007 . 1 . . . . 8 V H . 16335 1 52 . 1 1 8 8 VAL HA H 1 4.675 0.015 . 1 . . . . 8 V HA . 16335 1 53 . 1 1 8 8 VAL HB H 1 1.896 0.014 . 1 . . . . 8 V HB . 16335 1 54 . 1 1 8 8 VAL HG11 H 1 0.765 0.009 . 2 . . . . 8 V QG1 . 16335 1 55 . 1 1 8 8 VAL HG12 H 1 0.765 0.009 . 2 . . . . 8 V QG1 . 16335 1 56 . 1 1 8 8 VAL HG13 H 1 0.765 0.009 . 2 . . . . 8 V QG1 . 16335 1 57 . 1 1 8 8 VAL HG21 H 1 0.795 0.011 . 2 . . . . 8 V QG2 . 16335 1 58 . 1 1 8 8 VAL HG22 H 1 0.795 0.011 . 2 . . . . 8 V QG2 . 16335 1 59 . 1 1 8 8 VAL HG23 H 1 0.795 0.011 . 2 . . . . 8 V QG2 . 16335 1 60 . 1 1 8 8 VAL C C 13 175.371 0.000 . 1 . . . . 8 V C . 16335 1 61 . 1 1 8 8 VAL CA C 13 61.486 0.051 . 1 . . . . 8 V CA . 16335 1 62 . 1 1 8 8 VAL CB C 13 34.894 0.061 . 1 . . . . 8 V CB . 16335 1 63 . 1 1 8 8 VAL CG1 C 13 20.076 0.076 . 2 . . . . 8 V CG1 . 16335 1 64 . 1 1 8 8 VAL CG2 C 13 21.468 0.041 . 2 . . . . 8 V CG2 . 16335 1 65 . 1 1 8 8 VAL N N 15 122.369 0.024 . 1 . . . . 8 V N . 16335 1 66 . 1 1 9 9 VAL H H 1 8.150 0.004 . 1 . . . . 9 V H . 16335 1 67 . 1 1 9 9 VAL HA H 1 3.949 0.005 . 1 . . . . 9 V HA . 16335 1 68 . 1 1 9 9 VAL HB H 1 1.751 0.005 . 1 . . . . 9 V HB . 16335 1 69 . 1 1 9 9 VAL HG11 H 1 1.013 0.016 . 2 . . . . 9 V QG1 . 16335 1 70 . 1 1 9 9 VAL HG12 H 1 1.013 0.016 . 2 . . . . 9 V QG1 . 16335 1 71 . 1 1 9 9 VAL HG13 H 1 1.013 0.016 . 2 . . . . 9 V QG1 . 16335 1 72 . 1 1 9 9 VAL HG21 H 1 0.847 0.011 . 2 . . . . 9 V QG2 . 16335 1 73 . 1 1 9 9 VAL HG22 H 1 0.847 0.011 . 2 . . . . 9 V QG2 . 16335 1 74 . 1 1 9 9 VAL HG23 H 1 0.847 0.011 . 2 . . . . 9 V QG2 . 16335 1 75 . 1 1 9 9 VAL C C 13 176.080 0.000 . 1 . . . . 9 V C . 16335 1 76 . 1 1 9 9 VAL CA C 13 62.717 0.073 . 1 . . . . 9 V CA . 16335 1 77 . 1 1 9 9 VAL CB C 13 32.966 0.052 . 1 . . . . 9 V CB . 16335 1 78 . 1 1 9 9 VAL N N 15 127.144 0.033 . 1 . . . . 9 V N . 16335 1 79 . 1 1 10 10 GLU H H 1 8.584 0.005 . 1 . . . . 10 E H . 16335 1 80 . 1 1 10 10 GLU HA H 1 3.908 0.010 . 1 . . . . 10 E HA . 16335 1 81 . 1 1 10 10 GLU HB2 H 1 1.996 0.006 . 2 . . . . 10 E QB . 16335 1 82 . 1 1 10 10 GLU HB3 H 1 1.996 0.006 . 2 . . . . 10 E QB . 16335 1 83 . 1 1 10 10 GLU HG2 H 1 2.331 0.009 . 2 . . . . 10 E QG . 16335 1 84 . 1 1 10 10 GLU HG3 H 1 2.331 0.009 . 2 . . . . 10 E QG . 16335 1 85 . 1 1 10 10 GLU C C 13 176.359 0.000 . 1 . . . . 10 E C . 16335 1 86 . 1 1 10 10 GLU CA C 13 58.087 0.043 . 1 . . . . 10 E CA . 16335 1 87 . 1 1 10 10 GLU CB C 13 29.799 0.211 . 1 . . . . 10 E CB . 16335 1 88 . 1 1 10 10 GLU CG C 13 36.111 0.073 . 1 . . . . 10 E CG . 16335 1 89 . 1 1 10 10 GLU N N 15 125.041 0.025 . 1 . . . . 10 E N . 16335 1 90 . 1 1 11 11 ASN H H 1 8.492 0.005 . 1 . . . . 11 N H . 16335 1 91 . 1 1 11 11 ASN HA H 1 4.495 0.007 . 1 . . . . 11 N HA . 16335 1 92 . 1 1 11 11 ASN HB2 H 1 2.939 0.012 . 2 . . . . 11 N QB . 16335 1 93 . 1 1 11 11 ASN HB3 H 1 2.939 0.012 . 2 . . . . 11 N QB . 16335 1 94 . 1 1 11 11 ASN HD21 H 1 6.831 0.005 . 2 . . . . 11 N HD21 . 16335 1 95 . 1 1 11 11 ASN HD22 H 1 7.575 0.010 . 2 . . . . 11 N HD22 . 16335 1 96 . 1 1 11 11 ASN C C 13 173.887 0.000 . 1 . . . . 11 N C . 16335 1 97 . 1 1 11 11 ASN CA C 13 53.677 0.034 . 1 . . . . 11 N CA . 16335 1 98 . 1 1 11 11 ASN CB C 13 37.301 0.050 . 1 . . . . 11 N CB . 16335 1 99 . 1 1 11 11 ASN N N 15 114.026 0.050 . 1 . . . . 11 N N . 16335 1 100 . 1 1 11 11 ASN ND2 N 15 112.406 0.005 . 1 . . . . 11 N ND2 . 16335 1 101 . 1 1 12 12 MET H H 1 7.162 0.005 . 1 . . . . 12 M H . 16335 1 102 . 1 1 12 12 MET HA H 1 5.167 0.004 . 1 . . . . 12 M HA . 16335 1 103 . 1 1 12 12 MET HB2 H 1 1.831 0.010 . 2 . . . . 12 M QB . 16335 1 104 . 1 1 12 12 MET HB3 H 1 1.831 0.010 . 2 . . . . 12 M QB . 16335 1 105 . 1 1 12 12 MET CA C 13 52.703 0.036 . 1 . . . . 12 M CA . 16335 1 106 . 1 1 12 12 MET CB C 13 32.817 0.154 . 1 . . . . 12 M CB . 16335 1 107 . 1 1 12 12 MET N N 15 116.803 0.030 . 1 . . . . 12 M N . 16335 1 108 . 1 1 13 13 PRO HA H 1 4.286 0.010 . 1 . . . . 13 P HA . 16335 1 109 . 1 1 13 13 PRO HB2 H 1 1.746 0.006 . 2 . . . . 13 P HB2 . 16335 1 110 . 1 1 13 13 PRO HB3 H 1 2.670 0.003 . 2 . . . . 13 P HB3 . 16335 1 111 . 1 1 13 13 PRO HD2 H 1 3.392 0.010 . 2 . . . . 13 P HD2 . 16335 1 112 . 1 1 13 13 PRO HD3 H 1 3.805 0.013 . 2 . . . . 13 P HD3 . 16335 1 113 . 1 1 13 13 PRO HG2 H 1 1.790 0.014 . 2 . . . . 13 P QG . 16335 1 114 . 1 1 13 13 PRO HG3 H 1 1.790 0.014 . 2 . . . . 13 P QG . 16335 1 115 . 1 1 13 13 PRO C C 13 176.153 0.000 . 1 . . . . 13 P C . 16335 1 116 . 1 1 13 13 PRO CA C 13 65.451 0.104 . 1 . . . . 13 P CA . 16335 1 117 . 1 1 13 13 PRO CB C 13 33.753 0.049 . 1 . . . . 13 P CB . 16335 1 118 . 1 1 13 13 PRO CD C 13 51.017 0.039 . 1 . . . . 13 P CD . 16335 1 119 . 1 1 14 14 ALA H H 1 8.059 0.008 . 1 . . . . 14 A H . 16335 1 120 . 1 1 14 14 ALA HA H 1 3.981 0.013 . 1 . . . . 14 A HA . 16335 1 121 . 1 1 14 14 ALA HB1 H 1 1.194 0.004 . 2 . . . . 14 A QB . 16335 1 122 . 1 1 14 14 ALA HB2 H 1 1.194 0.004 . 2 . . . . 14 A QB . 16335 1 123 . 1 1 14 14 ALA HB3 H 1 1.194 0.004 . 2 . . . . 14 A QB . 16335 1 124 . 1 1 14 14 ALA C C 13 177.591 0.000 . 1 . . . . 14 A C . 16335 1 125 . 1 1 14 14 ALA CA C 13 53.511 0.042 . 1 . . . . 14 A CA . 16335 1 126 . 1 1 14 14 ALA CB C 13 19.785 0.053 . 1 . . . . 14 A CB . 16335 1 127 . 1 1 14 14 ALA N N 15 114.729 0.053 . 1 . . . . 14 A N . 16335 1 128 . 1 1 15 15 LYS H H 1 7.585 0.006 . 1 . . . . 15 K H . 16335 1 129 . 1 1 15 15 LYS HA H 1 4.033 0.009 . 1 . . . . 15 K HA . 16335 1 130 . 1 1 15 15 LYS HB2 H 1 2.072 0.008 . 2 . . . . 15 K HB2 . 16335 1 131 . 1 1 15 15 LYS HB3 H 1 1.951 0.014 . 2 . . . . 15 K HB3 . 16335 1 132 . 1 1 15 15 LYS HD2 H 1 1.768 0.000 . 2 . . . . 15 K QD . 16335 1 133 . 1 1 15 15 LYS HD3 H 1 1.768 0.000 . 2 . . . . 15 K QD . 16335 1 134 . 1 1 15 15 LYS HE2 H 1 2.978 0.000 . 2 . . . . 15 K QE . 16335 1 135 . 1 1 15 15 LYS HE3 H 1 2.978 0.000 . 2 . . . . 15 K QE . 16335 1 136 . 1 1 15 15 LYS HG2 H 1 1.377 0.005 . 2 . . . . 15 K QG . 16335 1 137 . 1 1 15 15 LYS HG3 H 1 1.377 0.005 . 2 . . . . 15 K QG . 16335 1 138 . 1 1 15 15 LYS C C 13 177.274 0.000 . 1 . . . . 15 K C . 16335 1 139 . 1 1 15 15 LYS CA C 13 57.835 0.028 . 1 . . . . 15 K CA . 16335 1 140 . 1 1 15 15 LYS CB C 13 30.515 0.045 . 1 . . . . 15 K CB . 16335 1 141 . 1 1 15 15 LYS CD C 13 28.472 0.010 . 1 . . . . 15 K CD . 16335 1 142 . 1 1 15 15 LYS CG C 13 24.049 0.000 . 1 . . . . 15 K CG . 16335 1 143 . 1 1 15 15 LYS N N 15 121.778 0.016 . 1 . . . . 15 K N . 16335 1 144 . 1 1 16 16 GLY H H 1 9.685 0.009 . 1 . . . . 16 G H . 16335 1 145 . 1 1 16 16 GLY HA2 H 1 3.737 0.007 . 2 . . . . 16 G HA2 . 16335 1 146 . 1 1 16 16 GLY HA3 H 1 4.344 0.010 . 2 . . . . 16 G HA3 . 16335 1 147 . 1 1 16 16 GLY C C 13 173.925 0.000 . 1 . . . . 16 G C . 16335 1 148 . 1 1 16 16 GLY CA C 13 45.283 0.031 . 1 . . . . 16 G CA . 16335 1 149 . 1 1 16 16 GLY N N 15 118.279 0.016 . 1 . . . . 16 G N . 16335 1 150 . 1 1 17 17 LYS H H 1 8.330 0.009 . 1 . . . . 17 K H . 16335 1 151 . 1 1 17 17 LYS HA H 1 4.525 0.009 . 1 . . . . 17 K HA . 16335 1 152 . 1 1 17 17 LYS HB2 H 1 1.676 0.009 . 2 . . . . 17 K QB . 16335 1 153 . 1 1 17 17 LYS HB3 H 1 1.676 0.009 . 2 . . . . 17 K QB . 16335 1 154 . 1 1 17 17 LYS HD2 H 1 2.144 0.010 . 2 . . . . 17 K HD2 . 16335 1 155 . 1 1 17 17 LYS HD3 H 1 2.434 0.008 . 2 . . . . 17 K HD3 . 16335 1 156 . 1 1 17 17 LYS HE2 H 1 2.664 0.003 . 2 . . . . 17 K QE . 16335 1 157 . 1 1 17 17 LYS HE3 H 1 2.664 0.003 . 2 . . . . 17 K QE . 16335 1 158 . 1 1 17 17 LYS HG2 H 1 1.372 0.000 . 2 . . . . 17 K QG . 16335 1 159 . 1 1 17 17 LYS HG3 H 1 1.372 0.000 . 2 . . . . 17 K QG . 16335 1 160 . 1 1 17 17 LYS C C 13 175.290 0.000 . 1 . . . . 17 K C . 16335 1 161 . 1 1 17 17 LYS CA C 13 57.016 0.042 . 1 . . . . 17 K CA . 16335 1 162 . 1 1 17 17 LYS CB C 13 35.544 0.055 . 1 . . . . 17 K CB . 16335 1 163 . 1 1 17 17 LYS CD C 13 28.824 0.047 . 1 . . . . 17 K CD . 16335 1 164 . 1 1 17 17 LYS CG C 13 24.974 0.000 . 1 . . . . 17 K CG . 16335 1 165 . 1 1 17 17 LYS N N 15 119.741 0.047 . 1 . . . . 17 K N . 16335 1 166 . 1 1 18 18 ILE H H 1 8.266 0.011 . 1 . . . . 18 I H . 16335 1 167 . 1 1 18 18 ILE HA H 1 4.205 0.009 . 1 . . . . 18 I HA . 16335 1 168 . 1 1 18 18 ILE HB H 1 1.606 0.005 . 1 . . . . 18 I HB . 16335 1 169 . 1 1 18 18 ILE HD11 H 1 0.704 0.004 . 2 . . . . 18 I QD1 . 16335 1 170 . 1 1 18 18 ILE HD12 H 1 0.704 0.004 . 2 . . . . 18 I QD1 . 16335 1 171 . 1 1 18 18 ILE HD13 H 1 0.704 0.004 . 2 . . . . 18 I QD1 . 16335 1 172 . 1 1 18 18 ILE HG12 H 1 1.221 0.010 . 2 . . . . 18 I HG12 . 16335 1 173 . 1 1 18 18 ILE HG13 H 1 1.282 0.013 . 2 . . . . 18 I HG13 . 16335 1 174 . 1 1 18 18 ILE HG21 H 1 0.806 0.012 . 2 . . . . 18 I QG2 . 16335 1 175 . 1 1 18 18 ILE HG22 H 1 0.806 0.012 . 2 . . . . 18 I QG2 . 16335 1 176 . 1 1 18 18 ILE HG23 H 1 0.806 0.012 . 2 . . . . 18 I QG2 . 16335 1 177 . 1 1 18 18 ILE C C 13 173.354 0.000 . 1 . . . . 18 I C . 16335 1 178 . 1 1 18 18 ILE CA C 13 58.320 0.053 . 1 . . . . 18 I CA . 16335 1 179 . 1 1 18 18 ILE CB C 13 39.176 0.050 . 1 . . . . 18 I CB . 16335 1 180 . 1 1 18 18 ILE CD1 C 13 12.045 0.039 . 1 . . . . 18 I CD1 . 16335 1 181 . 1 1 18 18 ILE CG1 C 13 27.685 0.054 . 1 . . . . 18 I CG1 . 16335 1 182 . 1 1 18 18 ILE CG2 C 13 16.913 0.175 . 1 . . . . 18 I CG2 . 16335 1 183 . 1 1 18 18 ILE N N 15 119.872 0.044 . 1 . . . . 18 I N . 16335 1 184 . 1 1 19 19 GLU H H 1 9.005 0.004 . 1 . . . . 19 E H . 16335 1 185 . 1 1 19 19 GLU HA H 1 4.572 0.006 . 1 . . . . 19 E HA . 16335 1 186 . 1 1 19 19 GLU HB2 H 1 1.702 0.010 . 2 . . . . 19 E HB2 . 16335 1 187 . 1 1 19 19 GLU HB3 H 1 2.001 0.020 . 2 . . . . 19 E HB3 . 16335 1 188 . 1 1 19 19 GLU HG2 H 1 2.088 0.008 . 2 . . . . 19 E HG2 . 16335 1 189 . 1 1 19 19 GLU HG3 H 1 2.168 0.009 . 2 . . . . 19 E HG3 . 16335 1 190 . 1 1 19 19 GLU C C 13 175.997 0.000 . 1 . . . . 19 E C . 16335 1 191 . 1 1 19 19 GLU CA C 13 53.379 0.030 . 1 . . . . 19 E CA . 16335 1 192 . 1 1 19 19 GLU CB C 13 32.197 0.061 . 1 . . . . 19 E CB . 16335 1 193 . 1 1 19 19 GLU CG C 13 35.389 0.056 . 1 . . . . 19 E CG . 16335 1 194 . 1 1 19 19 GLU N N 15 126.354 0.036 . 1 . . . . 19 E N . 16335 1 195 . 1 1 20 20 VAL H H 1 8.731 0.007 . 1 . . . . 20 V H . 16335 1 196 . 1 1 20 20 VAL HA H 1 3.222 0.007 . 1 . . . . 20 V HA . 16335 1 197 . 1 1 20 20 VAL HB H 1 1.930 0.005 . 1 . . . . 20 V HB . 16335 1 198 . 1 1 20 20 VAL HG11 H 1 0.961 0.006 . 2 . . . . 20 V QG1 . 16335 1 199 . 1 1 20 20 VAL HG12 H 1 0.961 0.006 . 2 . . . . 20 V QG1 . 16335 1 200 . 1 1 20 20 VAL HG13 H 1 0.961 0.006 . 2 . . . . 20 V QG1 . 16335 1 201 . 1 1 20 20 VAL HG21 H 1 0.993 0.007 . 2 . . . . 20 V QG2 . 16335 1 202 . 1 1 20 20 VAL HG22 H 1 0.993 0.007 . 2 . . . . 20 V QG2 . 16335 1 203 . 1 1 20 20 VAL HG23 H 1 0.993 0.007 . 2 . . . . 20 V QG2 . 16335 1 204 . 1 1 20 20 VAL C C 13 178.271 0.000 . 1 . . . . 20 V C . 16335 1 205 . 1 1 20 20 VAL CA C 13 65.837 0.045 . 1 . . . . 20 V CA . 16335 1 206 . 1 1 20 20 VAL CB C 13 31.208 0.049 . 1 . . . . 20 V CB . 16335 1 207 . 1 1 20 20 VAL CG1 C 13 21.255 0.098 . 2 . . . . 20 V CG1 . 16335 1 208 . 1 1 20 20 VAL CG2 C 13 23.043 0.050 . 2 . . . . 20 V CG2 . 16335 1 209 . 1 1 20 20 VAL N N 15 121.188 0.029 . 1 . . . . 20 V N . 16335 1 210 . 1 1 21 21 GLY H H 1 9.255 0.009 . 1 . . . . 21 G H . 16335 1 211 . 1 1 21 21 GLY HA2 H 1 3.803 0.013 . 2 . . . . 21 G HA2 . 16335 1 212 . 1 1 21 21 GLY HA3 H 1 4.604 0.006 . 2 . . . . 21 G HA3 . 16335 1 213 . 1 1 21 21 GLY C C 13 174.845 0.000 . 1 . . . . 21 G C . 16335 1 214 . 1 1 21 21 GLY CA C 13 44.725 0.030 . 1 . . . . 21 G CA . 16335 1 215 . 1 1 21 21 GLY N N 15 116.966 0.011 . 1 . . . . 21 G N . 16335 1 216 . 1 1 22 22 ASP H H 1 8.323 0.006 . 1 . . . . 22 D H . 16335 1 217 . 1 1 22 22 ASP HA H 1 4.619 0.007 . 1 . . . . 22 D HA . 16335 1 218 . 1 1 22 22 ASP HB2 H 1 2.311 0.008 . 2 . . . . 22 D HB2 . 16335 1 219 . 1 1 22 22 ASP HB3 H 1 2.695 0.013 . 2 . . . . 22 D HB3 . 16335 1 220 . 1 1 22 22 ASP C C 13 174.612 0.000 . 1 . . . . 22 D C . 16335 1 221 . 1 1 22 22 ASP CA C 13 55.973 0.145 . 1 . . . . 22 D CA . 16335 1 222 . 1 1 22 22 ASP CB C 13 41.336 0.148 . 1 . . . . 22 D CB . 16335 1 223 . 1 1 22 22 ASP N N 15 123.175 0.029 . 1 . . . . 22 D N . 16335 1 224 . 1 1 23 23 LYS H H 1 8.243 0.010 . 1 . . . . 23 K H . 16335 1 225 . 1 1 23 23 LYS HA H 1 4.658 0.014 . 1 . . . . 23 K HA . 16335 1 226 . 1 1 23 23 LYS HB3 H 1 1.777 0.000 . 2 . . . . 23 K HB3 . 16335 1 227 . 1 1 23 23 LYS C C 13 176.420 0.000 . 1 . . . . 23 K C . 16335 1 228 . 1 1 23 23 LYS CA C 13 53.931 0.109 . 1 . . . . 23 K CA . 16335 1 229 . 1 1 23 23 LYS CB C 13 35.556 0.085 . 1 . . . . 23 K CB . 16335 1 230 . 1 1 23 23 LYS CD C 13 29.890 0.000 . 1 . . . . 23 K CD . 16335 1 231 . 1 1 23 23 LYS CG C 13 24.749 0.000 . 1 . . . . 23 K CG . 16335 1 232 . 1 1 23 23 LYS N N 15 122.047 0.039 . 1 . . . . 23 K N . 16335 1 233 . 1 1 24 24 ILE H H 1 8.904 0.005 . 1 . . . . 24 I H . 16335 1 234 . 1 1 24 24 ILE HA H 1 4.244 0.012 . 1 . . . . 24 I HA . 16335 1 235 . 1 1 24 24 ILE HB H 1 1.647 0.007 . 1 . . . . 24 I HB . 16335 1 236 . 1 1 24 24 ILE HD11 H 1 0.579 0.007 . 2 . . . . 24 I QD1 . 16335 1 237 . 1 1 24 24 ILE HD12 H 1 0.579 0.007 . 2 . . . . 24 I QD1 . 16335 1 238 . 1 1 24 24 ILE HD13 H 1 0.579 0.007 . 2 . . . . 24 I QD1 . 16335 1 239 . 1 1 24 24 ILE HG12 H 1 1.163 0.011 . 2 . . . . 24 I QG1 . 16335 1 240 . 1 1 24 24 ILE HG13 H 1 1.163 0.011 . 2 . . . . 24 I QG1 . 16335 1 241 . 1 1 24 24 ILE HG21 H 1 0.699 0.006 . 2 . . . . 24 I QG2 . 16335 1 242 . 1 1 24 24 ILE HG22 H 1 0.699 0.006 . 2 . . . . 24 I QG2 . 16335 1 243 . 1 1 24 24 ILE HG23 H 1 0.699 0.006 . 2 . . . . 24 I QG2 . 16335 1 244 . 1 1 24 24 ILE C C 13 174.935 0.000 . 1 . . . . 24 I C . 16335 1 245 . 1 1 24 24 ILE CA C 13 60.303 0.043 . 1 . . . . 24 I CA . 16335 1 246 . 1 1 24 24 ILE CB C 13 36.683 0.089 . 1 . . . . 24 I CB . 16335 1 247 . 1 1 24 24 ILE CD1 C 13 12.006 0.026 . 1 . . . . 24 I CD1 . 16335 1 248 . 1 1 24 24 ILE CG1 C 13 28.632 0.129 . 1 . . . . 24 I CG1 . 16335 1 249 . 1 1 24 24 ILE CG2 C 13 19.079 0.090 . 1 . . . . 24 I CG2 . 16335 1 250 . 1 1 24 24 ILE N N 15 126.969 0.028 . 1 . . . . 24 I N . 16335 1 251 . 1 1 25 25 ILE H H 1 9.058 0.006 . 1 . . . . 25 I H . 16335 1 252 . 1 1 25 25 ILE HA H 1 3.986 0.021 . 1 . . . . 25 I HA . 16335 1 253 . 1 1 25 25 ILE HB H 1 1.600 0.015 . 1 . . . . 25 I HB . 16335 1 254 . 1 1 25 25 ILE HD11 H 1 0.713 0.029 . 2 . . . . 25 I QD1 . 16335 1 255 . 1 1 25 25 ILE HD12 H 1 0.713 0.029 . 2 . . . . 25 I QD1 . 16335 1 256 . 1 1 25 25 ILE HD13 H 1 0.713 0.029 . 2 . . . . 25 I QD1 . 16335 1 257 . 1 1 25 25 ILE HG12 H 1 1.084 0.017 . 2 . . . . 25 I HG12 . 16335 1 258 . 1 1 25 25 ILE HG13 H 1 1.373 0.010 . 2 . . . . 25 I HG13 . 16335 1 259 . 1 1 25 25 ILE HG21 H 1 0.851 0.006 . 2 . . . . 25 I QG2 . 16335 1 260 . 1 1 25 25 ILE HG22 H 1 0.851 0.006 . 2 . . . . 25 I QG2 . 16335 1 261 . 1 1 25 25 ILE HG23 H 1 0.851 0.006 . 2 . . . . 25 I QG2 . 16335 1 262 . 1 1 25 25 ILE C C 13 176.484 0.000 . 1 . . . . 25 I C . 16335 1 263 . 1 1 25 25 ILE CA C 13 62.549 0.129 . 1 . . . . 25 I CA . 16335 1 264 . 1 1 25 25 ILE CB C 13 38.847 0.160 . 1 . . . . 25 I CB . 16335 1 265 . 1 1 25 25 ILE CD1 C 13 12.250 0.351 . 1 . . . . 25 I CD1 . 16335 1 266 . 1 1 25 25 ILE CG1 C 13 27.566 0.131 . 1 . . . . 25 I CG1 . 16335 1 267 . 1 1 25 25 ILE CG2 C 13 17.495 0.079 . 1 . . . . 25 I CG2 . 16335 1 268 . 1 1 25 25 ILE N N 15 127.431 0.053 . 1 . . . . 25 I N . 16335 1 269 . 1 1 26 26 SER H H 1 7.698 0.009 . 1 . . . . 26 S H . 16335 1 270 . 1 1 26 26 SER HA H 1 5.189 0.012 . 1 . . . . 26 S HA . 16335 1 271 . 1 1 26 26 SER HB2 H 1 3.405 0.008 . 2 . . . . 26 S HB2 . 16335 1 272 . 1 1 26 26 SER HB3 H 1 3.748 0.011 . 2 . . . . 26 S HB3 . 16335 1 273 . 1 1 26 26 SER C C 13 172.501 0.000 . 1 . . . . 26 S C . 16335 1 274 . 1 1 26 26 SER CA C 13 56.613 0.082 . 1 . . . . 26 S CA . 16335 1 275 . 1 1 26 26 SER CB C 13 66.135 0.058 . 1 . . . . 26 S CB . 16335 1 276 . 1 1 26 26 SER N N 15 109.669 0.050 . 1 . . . . 26 S N . 16335 1 277 . 1 1 27 27 ALA H H 1 8.714 0.003 . 1 . . . . 27 A H . 16335 1 278 . 1 1 27 27 ALA HA H 1 5.285 0.007 . 1 . . . . 27 A HA . 16335 1 279 . 1 1 27 27 ALA HB1 H 1 1.108 0.009 . 2 . . . . 27 A QB . 16335 1 280 . 1 1 27 27 ALA HB2 H 1 1.108 0.009 . 2 . . . . 27 A QB . 16335 1 281 . 1 1 27 27 ALA HB3 H 1 1.108 0.009 . 2 . . . . 27 A QB . 16335 1 282 . 1 1 27 27 ALA C C 13 176.493 0.000 . 1 . . . . 27 A C . 16335 1 283 . 1 1 27 27 ALA CA C 13 50.746 0.050 . 1 . . . . 27 A CA . 16335 1 284 . 1 1 27 27 ALA CB C 13 22.168 0.054 . 1 . . . . 27 A CB . 16335 1 285 . 1 1 27 27 ALA N N 15 120.303 0.047 . 1 . . . . 27 A N . 16335 1 286 . 1 1 28 28 ASP H H 1 10.042 0.007 . 1 . . . . 28 D H . 16335 1 287 . 1 1 28 28 ASP HA H 1 4.508 0.006 . 1 . . . . 28 D HA . 16335 1 288 . 1 1 28 28 ASP HB2 H 1 2.714 0.006 . 2 . . . . 28 D HB2 . 16335 1 289 . 1 1 28 28 ASP HB3 H 1 3.103 0.017 . 2 . . . . 28 D HB3 . 16335 1 290 . 1 1 28 28 ASP C C 13 175.538 0.000 . 1 . . . . 28 D C . 16335 1 291 . 1 1 28 28 ASP CA C 13 55.591 0.049 . 1 . . . . 28 D CA . 16335 1 292 . 1 1 28 28 ASP CB C 13 39.435 0.062 . 1 . . . . 28 D CB . 16335 1 293 . 1 1 28 28 ASP N N 15 125.411 0.031 . 1 . . . . 28 D N . 16335 1 294 . 1 1 29 29 GLY H H 1 8.642 0.008 . 1 . . . . 29 G H . 16335 1 295 . 1 1 29 29 GLY HA2 H 1 3.569 0.011 . 2 . . . . 29 G HA2 . 16335 1 296 . 1 1 29 29 GLY HA3 H 1 4.133 0.005 . 2 . . . . 29 G HA3 . 16335 1 297 . 1 1 29 29 GLY C C 13 173.570 0.000 . 1 . . . . 29 G C . 16335 1 298 . 1 1 29 29 GLY CA C 13 45.360 0.051 . 1 . . . . 29 G CA . 16335 1 299 . 1 1 29 29 GLY N N 15 102.539 0.048 . 1 . . . . 29 G N . 16335 1 300 . 1 1 30 30 LYS H H 1 7.741 0.008 . 1 . . . . 30 K H . 16335 1 301 . 1 1 30 30 LYS HA H 1 4.446 0.005 . 1 . . . . 30 K HA . 16335 1 302 . 1 1 30 30 LYS HB2 H 1 1.524 0.007 . 2 . . . . 30 K HB2 . 16335 1 303 . 1 1 30 30 LYS HB3 H 1 1.560 0.010 . 2 . . . . 30 K HB3 . 16335 1 304 . 1 1 30 30 LYS HE2 H 1 2.731 0.000 . 2 . . . . 30 K QE . 16335 1 305 . 1 1 30 30 LYS HE3 H 1 2.731 0.000 . 2 . . . . 30 K QE . 16335 1 306 . 1 1 30 30 LYS HG2 H 1 0.891 0.007 . 2 . . . . 30 K HG2 . 16335 1 307 . 1 1 30 30 LYS HG3 H 1 1.142 0.002 . 2 . . . . 30 K HG3 . 16335 1 308 . 1 1 30 30 LYS CA C 13 54.703 0.123 . 1 . . . . 30 K CA . 16335 1 309 . 1 1 30 30 LYS CB C 13 34.348 0.030 . 1 . . . . 30 K CB . 16335 1 310 . 1 1 30 30 LYS CG C 13 24.663 0.031 . 1 . . . . 30 K CG . 16335 1 311 . 1 1 30 30 LYS N N 15 121.777 0.024 . 1 . . . . 30 K N . 16335 1 312 . 1 1 31 31 ASN HA H 1 4.835 0.006 . 1 . . . . 31 N HA . 16335 1 313 . 1 1 31 31 ASN HB2 H 1 2.625 0.012 . 2 . . . . 31 N QB . 16335 1 314 . 1 1 31 31 ASN HB3 H 1 2.625 0.012 . 2 . . . . 31 N QB . 16335 1 315 . 1 1 31 31 ASN HD21 H 1 6.787 0.000 . 2 . . . . 31 N HD21 . 16335 1 316 . 1 1 31 31 ASN HD22 H 1 7.484 0.001 . 2 . . . . 31 N HD22 . 16335 1 317 . 1 1 31 31 ASN C C 13 174.607 0.000 . 1 . . . . 31 N C . 16335 1 318 . 1 1 31 31 ASN CA C 13 53.056 0.107 . 1 . . . . 31 N CA . 16335 1 319 . 1 1 31 31 ASN CB C 13 39.022 0.037 . 1 . . . . 31 N CB . 16335 1 320 . 1 1 31 31 ASN ND2 N 15 111.444 0.031 . 1 . . . . 31 N ND2 . 16335 1 321 . 1 1 32 32 TYR H H 1 7.900 0.003 . 1 . . . . 32 Y H . 16335 1 322 . 1 1 32 32 TYR HA H 1 4.488 0.003 . 1 . . . . 32 Y HA . 16335 1 323 . 1 1 32 32 TYR HB2 H 1 2.395 0.004 . 2 . . . . 32 Y HB2 . 16335 1 324 . 1 1 32 32 TYR HB3 H 1 2.723 0.019 . 2 . . . . 32 Y HB3 . 16335 1 325 . 1 1 32 32 TYR HD1 H 1 6.974 0.004 . 3 . . . . 32 Y QD . 16335 1 326 . 1 1 32 32 TYR HD2 H 1 6.974 0.004 . 3 . . . . 32 Y QD . 16335 1 327 . 1 1 32 32 TYR HE1 H 1 6.551 0.006 . 3 . . . . 32 Y QE . 16335 1 328 . 1 1 32 32 TYR HE2 H 1 6.551 0.006 . 3 . . . . 32 Y QE . 16335 1 329 . 1 1 32 32 TYR CA C 13 58.447 0.031 . 1 . . . . 32 Y CA . 16335 1 330 . 1 1 32 32 TYR CB C 13 42.430 0.041 . 1 . . . . 32 Y CB . 16335 1 331 . 1 1 32 32 TYR CD1 C 13 133.152 0.027 . 3 . . . . 32 Y CD1 . 16335 1 332 . 1 1 32 32 TYR CE1 C 13 117.493 0.016 . 3 . . . . 32 Y CE1 . 16335 1 333 . 1 1 32 32 TYR N N 15 120.116 0.042 . 1 . . . . 32 Y N . 16335 1 334 . 1 1 34 34 SER HA H 1 4.776 0.006 . 1 . . . . 34 S HA . 16335 1 335 . 1 1 34 34 SER HB2 H 1 3.900 0.006 . 2 . . . . 34 S HB2 . 16335 1 336 . 1 1 34 34 SER HB3 H 1 4.099 0.006 . 2 . . . . 34 S HB3 . 16335 1 337 . 1 1 34 34 SER C C 13 174.586 0.000 . 1 . . . . 34 S C . 16335 1 338 . 1 1 34 34 SER CA C 13 55.632 0.048 . 1 . . . . 34 S CA . 16335 1 339 . 1 1 34 34 SER CB C 13 64.905 0.101 . 1 . . . . 34 S CB . 16335 1 340 . 1 1 35 35 ALA H H 1 8.928 0.006 . 1 . . . . 35 A H . 16335 1 341 . 1 1 35 35 ALA HA H 1 3.706 0.009 . 1 . . . . 35 A HA . 16335 1 342 . 1 1 35 35 ALA HB1 H 1 1.284 0.013 . 2 . . . . 35 A QB . 16335 1 343 . 1 1 35 35 ALA HB2 H 1 1.284 0.013 . 2 . . . . 35 A QB . 16335 1 344 . 1 1 35 35 ALA HB3 H 1 1.284 0.013 . 2 . . . . 35 A QB . 16335 1 345 . 1 1 35 35 ALA C C 13 178.124 0.000 . 1 . . . . 35 A C . 16335 1 346 . 1 1 35 35 ALA CA C 13 55.445 0.081 . 1 . . . . 35 A CA . 16335 1 347 . 1 1 35 35 ALA CB C 13 18.515 0.053 . 1 . . . . 35 A CB . 16335 1 348 . 1 1 35 35 ALA N N 15 129.133 0.030 . 1 . . . . 35 A N . 16335 1 349 . 1 1 36 36 GLU H H 1 8.868 0.005 . 1 . . . . 36 E H . 16335 1 350 . 1 1 36 36 GLU HA H 1 3.849 0.017 . 1 . . . . 36 E HA . 16335 1 351 . 1 1 36 36 GLU HB2 H 1 1.986 0.008 . 2 . . . . 36 E QB . 16335 1 352 . 1 1 36 36 GLU HB3 H 1 1.986 0.008 . 2 . . . . 36 E QB . 16335 1 353 . 1 1 36 36 GLU HG2 H 1 2.154 0.017 . 2 . . . . 36 E HG2 . 16335 1 354 . 1 1 36 36 GLU HG3 H 1 2.327 0.014 . 2 . . . . 36 E HG3 . 16335 1 355 . 1 1 36 36 GLU C C 13 178.703 0.000 . 1 . . . . 36 E C . 16335 1 356 . 1 1 36 36 GLU CA C 13 60.507 0.113 . 1 . . . . 36 E CA . 16335 1 357 . 1 1 36 36 GLU CB C 13 28.879 0.047 . 1 . . . . 36 E CB . 16335 1 358 . 1 1 36 36 GLU CG C 13 37.354 0.073 . 1 . . . . 36 E CG . 16335 1 359 . 1 1 36 36 GLU N N 15 116.594 0.048 . 1 . . . . 36 E N . 16335 1 360 . 1 1 37 37 LYS H H 1 7.430 0.006 . 1 . . . . 37 K H . 16335 1 361 . 1 1 37 37 LYS HA H 1 4.221 0.008 . 1 . . . . 37 K HA . 16335 1 362 . 1 1 37 37 LYS HB2 H 1 2.094 0.013 . 2 . . . . 37 K HB2 . 16335 1 363 . 1 1 37 37 LYS HB3 H 1 2.192 0.008 . 2 . . . . 37 K HB3 . 16335 1 364 . 1 1 37 37 LYS HD2 H 1 1.835 0.008 . 2 . . . . 37 K QD . 16335 1 365 . 1 1 37 37 LYS HD3 H 1 1.835 0.008 . 2 . . . . 37 K QD . 16335 1 366 . 1 1 37 37 LYS HE2 H 1 3.042 0.005 . 2 . . . . 37 K QE . 16335 1 367 . 1 1 37 37 LYS HE3 H 1 3.042 0.005 . 2 . . . . 37 K QE . 16335 1 368 . 1 1 37 37 LYS HG2 H 1 1.584 0.006 . 2 . . . . 37 K HG2 . 16335 1 369 . 1 1 37 37 LYS HG3 H 1 1.735 0.009 . 2 . . . . 37 K HG3 . 16335 1 370 . 1 1 37 37 LYS C C 13 179.335 0.000 . 1 . . . . 37 K C . 16335 1 371 . 1 1 37 37 LYS CA C 13 58.256 0.039 . 1 . . . . 37 K CA . 16335 1 372 . 1 1 37 37 LYS CB C 13 32.330 0.060 . 1 . . . . 37 K CB . 16335 1 373 . 1 1 37 37 LYS CD C 13 28.545 0.131 . 1 . . . . 37 K CD . 16335 1 374 . 1 1 37 37 LYS CG C 13 25.375 0.129 . 1 . . . . 37 K CG . 16335 1 375 . 1 1 37 37 LYS N N 15 117.651 0.023 . 1 . . . . 37 K N . 16335 1 376 . 1 1 38 38 LEU H H 1 7.460 0.010 . 1 . . . . 38 L H . 16335 1 377 . 1 1 38 38 LEU HA H 1 3.428 0.010 . 1 . . . . 38 L HA . 16335 1 378 . 1 1 38 38 LEU HB2 H 1 0.903 0.007 . 2 . . . . 38 L HB2 . 16335 1 379 . 1 1 38 38 LEU HB3 H 1 1.731 0.009 . 2 . . . . 38 L HB3 . 16335 1 380 . 1 1 38 38 LEU HD11 H 1 0.647 0.009 . 2 . . . . 38 L QD1 . 16335 1 381 . 1 1 38 38 LEU HD12 H 1 0.647 0.009 . 2 . . . . 38 L QD1 . 16335 1 382 . 1 1 38 38 LEU HD13 H 1 0.647 0.009 . 2 . . . . 38 L QD1 . 16335 1 383 . 1 1 38 38 LEU HD21 H 1 0.407 0.006 . 2 . . . . 38 L QD2 . 16335 1 384 . 1 1 38 38 LEU HD22 H 1 0.407 0.006 . 2 . . . . 38 L QD2 . 16335 1 385 . 1 1 38 38 LEU HD23 H 1 0.407 0.006 . 2 . . . . 38 L QD2 . 16335 1 386 . 1 1 38 38 LEU HG H 1 1.183 0.007 . 1 . . . . 38 L HG . 16335 1 387 . 1 1 38 38 LEU C C 13 178.033 0.000 . 1 . . . . 38 L C . 16335 1 388 . 1 1 38 38 LEU CA C 13 57.826 0.058 . 1 . . . . 38 L CA . 16335 1 389 . 1 1 38 38 LEU CB C 13 40.701 0.045 . 1 . . . . 38 L CB . 16335 1 390 . 1 1 38 38 LEU CD1 C 13 27.193 0.058 . 2 . . . . 38 L CD1 . 16335 1 391 . 1 1 38 38 LEU CD2 C 13 23.553 0.056 . 2 . . . . 38 L CD2 . 16335 1 392 . 1 1 38 38 LEU CG C 13 27.069 0.111 . 1 . . . . 38 L CG . 16335 1 393 . 1 1 38 38 LEU N N 15 122.740 0.014 . 1 . . . . 38 L N . 16335 1 394 . 1 1 39 39 ILE H H 1 8.698 0.006 . 1 . . . . 39 I H . 16335 1 395 . 1 1 39 39 ILE C C 13 179.082 0.000 . 1 . . . . 39 I C . 16335 1 396 . 1 1 39 39 ILE CA C 13 64.530 0.340 . 1 . . . . 39 I CA . 16335 1 397 . 1 1 39 39 ILE CB C 13 37.070 0.062 . 1 . . . . 39 I CB . 16335 1 398 . 1 1 39 39 ILE N N 15 121.141 0.039 . 1 . . . . 39 I N . 16335 1 399 . 1 1 40 40 ASP H H 1 8.075 0.008 . 1 . . . . 40 D H . 16335 1 400 . 1 1 40 40 ASP HA H 1 4.321 0.018 . 1 . . . . 40 D HA . 16335 1 401 . 1 1 40 40 ASP HB2 H 1 2.683 0.009 . 2 . . . . 40 D HB2 . 16335 1 402 . 1 1 40 40 ASP HB3 H 1 2.822 0.009 . 2 . . . . 40 D HB3 . 16335 1 403 . 1 1 40 40 ASP C C 13 178.347 0.000 . 1 . . . . 40 D C . 16335 1 404 . 1 1 40 40 ASP CA C 13 57.604 0.118 . 1 . . . . 40 D CA . 16335 1 405 . 1 1 40 40 ASP CB C 13 40.589 0.052 . 1 . . . . 40 D CB . 16335 1 406 . 1 1 40 40 ASP N N 15 121.678 0.033 . 1 . . . . 40 D N . 16335 1 407 . 1 1 41 41 TYR H H 1 7.594 0.006 . 1 . . . . 41 Y H . 16335 1 408 . 1 1 41 41 TYR HA H 1 4.347 0.006 . 1 . . . . 41 Y HA . 16335 1 409 . 1 1 41 41 TYR HB2 H 1 3.017 0.014 . 2 . . . . 41 Y HB2 . 16335 1 410 . 1 1 41 41 TYR HB3 H 1 3.248 0.011 . 2 . . . . 41 Y HB3 . 16335 1 411 . 1 1 41 41 TYR HD1 H 1 6.896 0.039 . 3 . . . . 41 Y QD . 16335 1 412 . 1 1 41 41 TYR HD2 H 1 6.896 0.039 . 3 . . . . 41 Y QD . 16335 1 413 . 1 1 41 41 TYR HE1 H 1 6.621 0.050 . 3 . . . . 41 Y QE . 16335 1 414 . 1 1 41 41 TYR HE2 H 1 6.621 0.050 . 3 . . . . 41 Y QE . 16335 1 415 . 1 1 41 41 TYR C C 13 179.206 0.000 . 1 . . . . 41 Y C . 16335 1 416 . 1 1 41 41 TYR CA C 13 61.483 0.052 . 1 . . . . 41 Y CA . 16335 1 417 . 1 1 41 41 TYR CB C 13 38.165 0.056 . 1 . . . . 41 Y CB . 16335 1 418 . 1 1 41 41 TYR CD1 C 13 132.812 0.020 . 3 . . . . 41 Y CD1 . 16335 1 419 . 1 1 41 41 TYR CE1 C 13 117.270 0.017 . 3 . . . . 41 Y CE1 . 16335 1 420 . 1 1 41 41 TYR N N 15 120.220 0.020 . 1 . . . . 41 Y N . 16335 1 421 . 1 1 42 42 ILE H H 1 8.530 0.012 . 1 . . . . 42 I H . 16335 1 422 . 1 1 42 42 ILE HA H 1 3.079 0.011 . 1 . . . . 42 I HA . 16335 1 423 . 1 1 42 42 ILE HB H 1 1.916 0.033 . 1 . . . . 42 I HB . 16335 1 424 . 1 1 42 42 ILE HD11 H 1 0.700 0.009 . 2 . . . . 42 I QD1 . 16335 1 425 . 1 1 42 42 ILE HD12 H 1 0.700 0.009 . 2 . . . . 42 I QD1 . 16335 1 426 . 1 1 42 42 ILE HD13 H 1 0.700 0.009 . 2 . . . . 42 I QD1 . 16335 1 427 . 1 1 42 42 ILE HG12 H 1 0.931 0.010 . 2 . . . . 42 I HG12 . 16335 1 428 . 1 1 42 42 ILE HG13 H 1 1.793 0.009 . 2 . . . . 42 I HG13 . 16335 1 429 . 1 1 42 42 ILE HG21 H 1 0.937 0.007 . 2 . . . . 42 I QG2 . 16335 1 430 . 1 1 42 42 ILE HG22 H 1 0.937 0.007 . 2 . . . . 42 I QG2 . 16335 1 431 . 1 1 42 42 ILE HG23 H 1 0.937 0.007 . 2 . . . . 42 I QG2 . 16335 1 432 . 1 1 42 42 ILE C C 13 177.268 0.000 . 1 . . . . 42 I C . 16335 1 433 . 1 1 42 42 ILE CA C 13 66.047 0.038 . 1 . . . . 42 I CA . 16335 1 434 . 1 1 42 42 ILE CB C 13 37.553 0.146 . 1 . . . . 42 I CB . 16335 1 435 . 1 1 42 42 ILE CD1 C 13 12.404 0.062 . 1 . . . . 42 I CD1 . 16335 1 436 . 1 1 42 42 ILE CG1 C 13 29.451 0.104 . 1 . . . . 42 I CG1 . 16335 1 437 . 1 1 42 42 ILE CG2 C 13 18.003 0.064 . 1 . . . . 42 I CG2 . 16335 1 438 . 1 1 42 42 ILE N N 15 121.431 0.026 . 1 . . . . 42 I N . 16335 1 439 . 1 1 43 43 SER H H 1 8.484 0.008 . 1 . . . . 43 S H . 16335 1 440 . 1 1 43 43 SER HA H 1 4.464 0.011 . 1 . . . . 43 S HA . 16335 1 441 . 1 1 43 43 SER HB2 H 1 4.084 0.006 . 2 . . . . 43 S QB . 16335 1 442 . 1 1 43 43 SER HB3 H 1 4.084 0.006 . 2 . . . . 43 S QB . 16335 1 443 . 1 1 43 43 SER C C 13 174.017 0.000 . 1 . . . . 43 S C . 16335 1 444 . 1 1 43 43 SER CA C 13 60.572 0.063 . 1 . . . . 43 S CA . 16335 1 445 . 1 1 43 43 SER CB C 13 63.516 0.098 . 1 . . . . 43 S CB . 16335 1 446 . 1 1 43 43 SER N N 15 111.649 0.012 . 1 . . . . 43 S N . 16335 1 447 . 1 1 44 44 SER H H 1 7.514 0.004 . 1 . . . . 44 S H . 16335 1 448 . 1 1 44 44 SER HA H 1 4.442 0.007 . 1 . . . . 44 S HA . 16335 1 449 . 1 1 44 44 SER HB2 H 1 3.998 0.022 . 2 . . . . 44 S QB . 16335 1 450 . 1 1 44 44 SER HB3 H 1 3.998 0.022 . 2 . . . . 44 S QB . 16335 1 451 . 1 1 44 44 SER C C 13 174.358 0.000 . 1 . . . . 44 S C . 16335 1 452 . 1 1 44 44 SER CA C 13 59.366 0.069 . 1 . . . . 44 S CA . 16335 1 453 . 1 1 44 44 SER CB C 13 63.861 0.090 . 1 . . . . 44 S CB . 16335 1 454 . 1 1 44 44 SER N N 15 116.219 0.017 . 1 . . . . 44 S N . 16335 1 455 . 1 1 45 45 LYS H H 1 7.331 0.012 . 1 . . . . 45 K H . 16335 1 456 . 1 1 45 45 LYS HA H 1 4.310 0.006 . 1 . . . . 45 K HA . 16335 1 457 . 1 1 45 45 LYS HB2 H 1 1.956 0.008 . 2 . . . . 45 K QB . 16335 1 458 . 1 1 45 45 LYS HB3 H 1 1.956 0.008 . 2 . . . . 45 K QB . 16335 1 459 . 1 1 45 45 LYS HG2 H 1 1.057 0.013 . 2 . . . . 45 K HG2 . 16335 1 460 . 1 1 45 45 LYS HG3 H 1 1.233 0.017 . 2 . . . . 45 K HG3 . 16335 1 461 . 1 1 45 45 LYS C C 13 174.054 0.000 . 1 . . . . 45 K C . 16335 1 462 . 1 1 45 45 LYS CA C 13 54.917 0.049 . 1 . . . . 45 K CA . 16335 1 463 . 1 1 45 45 LYS CB C 13 33.354 0.043 . 1 . . . . 45 K CB . 16335 1 464 . 1 1 45 45 LYS CG C 13 25.237 0.043 . 1 . . . . 45 K CG . 16335 1 465 . 1 1 45 45 LYS N N 15 123.605 0.019 . 1 . . . . 45 K N . 16335 1 466 . 1 1 46 46 LYS H H 1 8.733 0.008 . 1 . . . . 46 K H . 16335 1 467 . 1 1 46 46 LYS HA H 1 4.488 0.015 . 1 . . . . 46 K HA . 16335 1 468 . 1 1 46 46 LYS HB2 H 1 1.649 0.016 . 2 . . . . 46 K HB2 . 16335 1 469 . 1 1 46 46 LYS HB3 H 1 1.738 0.012 . 2 . . . . 46 K HB3 . 16335 1 470 . 1 1 46 46 LYS HE2 H 1 2.982 0.006 . 2 . . . . 46 K QE . 16335 1 471 . 1 1 46 46 LYS HE3 H 1 2.982 0.006 . 2 . . . . 46 K QE . 16335 1 472 . 1 1 46 46 LYS HG2 H 1 1.369 0.007 . 2 . . . . 46 K HG2 . 16335 1 473 . 1 1 46 46 LYS HG3 H 1 1.682 0.004 . 2 . . . . 46 K HG3 . 16335 1 474 . 1 1 46 46 LYS C C 13 175.988 0.000 . 1 . . . . 46 K C . 16335 1 475 . 1 1 46 46 LYS CA C 13 53.637 0.056 . 1 . . . . 46 K CA . 16335 1 476 . 1 1 46 46 LYS CB C 13 35.214 0.061 . 1 . . . . 46 K CB . 16335 1 477 . 1 1 46 46 LYS CD C 13 28.815 0.000 . 1 . . . . 46 K CD . 16335 1 478 . 1 1 46 46 LYS CE C 13 42.343 0.000 . 1 . . . . 46 K CE . 16335 1 479 . 1 1 46 46 LYS CG C 13 24.246 0.106 . 1 . . . . 46 K CG . 16335 1 480 . 1 1 46 46 LYS N N 15 118.118 0.034 . 1 . . . . 46 K N . 16335 1 481 . 1 1 47 47 ALA H H 1 8.494 0.004 . 1 . . . . 47 A H . 16335 1 482 . 1 1 47 47 ALA HA H 1 3.431 0.007 . 1 . . . . 47 A HA . 16335 1 483 . 1 1 47 47 ALA HB1 H 1 1.261 0.008 . 2 . . . . 47 A QB . 16335 1 484 . 1 1 47 47 ALA HB2 H 1 1.261 0.008 . 2 . . . . 47 A QB . 16335 1 485 . 1 1 47 47 ALA HB3 H 1 1.261 0.008 . 2 . . . . 47 A QB . 16335 1 486 . 1 1 47 47 ALA C C 13 178.233 0.000 . 1 . . . . 47 A C . 16335 1 487 . 1 1 47 47 ALA CA C 13 53.804 0.029 . 1 . . . . 47 A CA . 16335 1 488 . 1 1 47 47 ALA CB C 13 17.591 0.085 . 1 . . . . 47 A CB . 16335 1 489 . 1 1 47 47 ALA N N 15 121.218 0.021 . 1 . . . . 47 A N . 16335 1 490 . 1 1 48 48 GLY H H 1 8.312 0.007 . 1 . . . . 48 G H . 16335 1 491 . 1 1 48 48 GLY HA2 H 1 3.402 0.008 . 2 . . . . 48 G HA2 . 16335 1 492 . 1 1 48 48 GLY HA3 H 1 4.447 0.007 . 2 . . . . 48 G HA3 . 16335 1 493 . 1 1 48 48 GLY C C 13 174.611 0.000 . 1 . . . . 48 G C . 16335 1 494 . 1 1 48 48 GLY CA C 13 45.176 0.047 . 1 . . . . 48 G CA . 16335 1 495 . 1 1 48 48 GLY N N 15 111.610 0.029 . 1 . . . . 48 G N . 16335 1 496 . 1 1 49 49 ASP H H 1 8.170 0.006 . 1 . . . . 49 D H . 16335 1 497 . 1 1 49 49 ASP HA H 1 4.693 0.007 . 1 . . . . 49 D HA . 16335 1 498 . 1 1 49 49 ASP HB2 H 1 2.640 0.006 . 2 . . . . 49 D HB2 . 16335 1 499 . 1 1 49 49 ASP HB3 H 1 3.064 0.008 . 2 . . . . 49 D HB3 . 16335 1 500 . 1 1 49 49 ASP C C 13 174.447 0.000 . 1 . . . . 49 D C . 16335 1 501 . 1 1 49 49 ASP CA C 13 54.590 0.057 . 1 . . . . 49 D CA . 16335 1 502 . 1 1 49 49 ASP CB C 13 41.570 0.039 . 1 . . . . 49 D CB . 16335 1 503 . 1 1 49 49 ASP N N 15 121.749 0.054 . 1 . . . . 49 D N . 16335 1 504 . 1 1 50 50 LYS H H 1 8.475 0.004 . 1 . . . . 50 K H . 16335 1 505 . 1 1 50 50 LYS HA H 1 5.413 0.008 . 1 . . . . 50 K HA . 16335 1 506 . 1 1 50 50 LYS HB2 H 1 1.530 0.010 . 2 . . . . 50 K QB . 16335 1 507 . 1 1 50 50 LYS HB3 H 1 1.530 0.010 . 2 . . . . 50 K QB . 16335 1 508 . 1 1 50 50 LYS HD2 H 1 1.523 0.003 . 2 . . . . 50 K QD . 16335 1 509 . 1 1 50 50 LYS HD3 H 1 1.523 0.003 . 2 . . . . 50 K QD . 16335 1 510 . 1 1 50 50 LYS HE2 H 1 2.908 0.011 . 2 . . . . 50 K QE . 16335 1 511 . 1 1 50 50 LYS HE3 H 1 2.908 0.011 . 2 . . . . 50 K QE . 16335 1 512 . 1 1 50 50 LYS HG2 H 1 1.387 0.005 . 2 . . . . 50 K QG . 16335 1 513 . 1 1 50 50 LYS HG3 H 1 1.387 0.005 . 2 . . . . 50 K QG . 16335 1 514 . 1 1 50 50 LYS C C 13 176.585 0.000 . 1 . . . . 50 K C . 16335 1 515 . 1 1 50 50 LYS CA C 13 54.832 0.049 . 1 . . . . 50 K CA . 16335 1 516 . 1 1 50 50 LYS CB C 13 35.459 0.064 . 1 . . . . 50 K CB . 16335 1 517 . 1 1 50 50 LYS CD C 13 29.361 0.078 . 1 . . . . 50 K CD . 16335 1 518 . 1 1 50 50 LYS CG C 13 25.153 0.111 . 1 . . . . 50 K CG . 16335 1 519 . 1 1 50 50 LYS N N 15 118.095 0.055 . 1 . . . . 50 K N . 16335 1 520 . 1 1 51 51 VAL H H 1 8.859 0.002 . 1 . . . . 51 V H . 16335 1 521 . 1 1 51 51 VAL HA H 1 4.945 0.011 . 1 . . . . 51 V HA . 16335 1 522 . 1 1 51 51 VAL HB H 1 1.750 0.011 . 1 . . . . 51 V HB . 16335 1 523 . 1 1 51 51 VAL HG11 H 1 0.871 0.013 . 2 . . . . 51 V QG1 . 16335 1 524 . 1 1 51 51 VAL HG12 H 1 0.871 0.013 . 2 . . . . 51 V QG1 . 16335 1 525 . 1 1 51 51 VAL HG13 H 1 0.871 0.013 . 2 . . . . 51 V QG1 . 16335 1 526 . 1 1 51 51 VAL HG21 H 1 0.920 0.008 . 2 . . . . 51 V QG2 . 16335 1 527 . 1 1 51 51 VAL HG22 H 1 0.920 0.008 . 2 . . . . 51 V QG2 . 16335 1 528 . 1 1 51 51 VAL HG23 H 1 0.920 0.008 . 2 . . . . 51 V QG2 . 16335 1 529 . 1 1 51 51 VAL C C 13 173.557 0.000 . 1 . . . . 51 V C . 16335 1 530 . 1 1 51 51 VAL CA C 13 59.846 0.058 . 1 . . . . 51 V CA . 16335 1 531 . 1 1 51 51 VAL CB C 13 35.974 0.081 . 1 . . . . 51 V CB . 16335 1 532 . 1 1 51 51 VAL CG1 C 13 20.674 0.167 . 2 . . . . 51 V CG1 . 16335 1 533 . 1 1 51 51 VAL CG2 C 13 21.096 0.073 . 2 . . . . 51 V CG2 . 16335 1 534 . 1 1 51 51 VAL N N 15 118.538 0.016 . 1 . . . . 51 V N . 16335 1 535 . 1 1 52 52 THR H H 1 9.148 0.009 . 1 . . . . 52 T H . 16335 1 536 . 1 1 52 52 THR HA H 1 5.143 0.007 . 1 . . . . 52 T HA . 16335 1 537 . 1 1 52 52 THR HB H 1 4.043 0.008 . 1 . . . . 52 T HB . 16335 1 538 . 1 1 52 52 THR HG21 H 1 1.075 0.009 . 2 . . . . 52 T QG2 . 16335 1 539 . 1 1 52 52 THR HG22 H 1 1.075 0.009 . 2 . . . . 52 T QG2 . 16335 1 540 . 1 1 52 52 THR HG23 H 1 1.075 0.009 . 2 . . . . 52 T QG2 . 16335 1 541 . 1 1 52 52 THR C C 13 174.517 0.000 . 1 . . . . 52 T C . 16335 1 542 . 1 1 52 52 THR CA C 13 61.804 0.117 . 1 . . . . 52 T CA . 16335 1 543 . 1 1 52 52 THR CB C 13 69.908 0.065 . 1 . . . . 52 T CB . 16335 1 544 . 1 1 52 52 THR CG2 C 13 21.266 0.097 . 1 . . . . 52 T CG2 . 16335 1 545 . 1 1 52 52 THR N N 15 123.639 0.045 . 1 . . . . 52 T N . 16335 1 546 . 1 1 53 53 LEU H H 1 9.604 0.007 . 1 . . . . 53 L H . 16335 1 547 . 1 1 53 53 LEU HA H 1 5.323 0.010 . 1 . . . . 53 L HA . 16335 1 548 . 1 1 53 53 LEU HB2 H 1 1.334 0.007 . 2 . . . . 53 L HB2 . 16335 1 549 . 1 1 53 53 LEU HB3 H 1 1.686 0.027 . 2 . . . . 53 L HB3 . 16335 1 550 . 1 1 53 53 LEU HD11 H 1 0.778 0.013 . 2 . . . . 53 L QD1 . 16335 1 551 . 1 1 53 53 LEU HD12 H 1 0.778 0.013 . 2 . . . . 53 L QD1 . 16335 1 552 . 1 1 53 53 LEU HD13 H 1 0.778 0.013 . 2 . . . . 53 L QD1 . 16335 1 553 . 1 1 53 53 LEU C C 13 175.264 0.000 . 1 . . . . 53 L C . 16335 1 554 . 1 1 53 53 LEU CA C 13 53.191 0.035 . 1 . . . . 53 L CA . 16335 1 555 . 1 1 53 53 LEU CB C 13 44.064 0.058 . 1 . . . . 53 L CB . 16335 1 556 . 1 1 53 53 LEU CD1 C 13 23.913 0.055 . 2 . . . . 53 L CD1 . 16335 1 557 . 1 1 53 53 LEU CG C 13 25.863 0.000 . 1 . . . . 53 L CG . 16335 1 558 . 1 1 53 53 LEU N N 15 129.482 0.042 . 1 . . . . 53 L N . 16335 1 559 . 1 1 54 54 LYS H H 1 8.180 0.013 . 1 . . . . 54 K H . 16335 1 560 . 1 1 54 54 LYS HA H 1 5.130 0.006 . 1 . . . . 54 K HA . 16335 1 561 . 1 1 54 54 LYS HB2 H 1 1.544 0.014 . 2 . . . . 54 K HB2 . 16335 1 562 . 1 1 54 54 LYS HB3 H 1 1.910 0.006 . 2 . . . . 54 K HB3 . 16335 1 563 . 1 1 54 54 LYS HG2 H 1 1.145 0.007 . 2 . . . . 54 K HG2 . 16335 1 564 . 1 1 54 54 LYS HG3 H 1 1.344 0.009 . 2 . . . . 54 K HG3 . 16335 1 565 . 1 1 54 54 LYS C C 13 175.374 0.000 . 1 . . . . 54 K C . 16335 1 566 . 1 1 54 54 LYS CA C 13 55.762 0.081 . 1 . . . . 54 K CA . 16335 1 567 . 1 1 54 54 LYS CB C 13 33.611 0.077 . 1 . . . . 54 K CB . 16335 1 568 . 1 1 54 54 LYS CD C 13 29.226 0.000 . 1 . . . . 54 K CD . 16335 1 569 . 1 1 54 54 LYS CE C 13 41.639 0.000 . 1 . . . . 54 K CE . 16335 1 570 . 1 1 54 54 LYS CG C 13 25.528 0.058 . 1 . . . . 54 K CG . 16335 1 571 . 1 1 54 54 LYS N N 15 123.252 0.022 . 1 . . . . 54 K N . 16335 1 572 . 1 1 55 55 ILE H H 1 9.178 0.010 . 1 . . . . 55 I H . 16335 1 573 . 1 1 55 55 ILE HA H 1 5.517 0.009 . 1 . . . . 55 I HA . 16335 1 574 . 1 1 55 55 ILE HB H 1 1.813 0.006 . 1 . . . . 55 I HB . 16335 1 575 . 1 1 55 55 ILE HD11 H 1 0.762 0.006 . 2 . . . . 55 I QD1 . 16335 1 576 . 1 1 55 55 ILE HD12 H 1 0.762 0.006 . 2 . . . . 55 I QD1 . 16335 1 577 . 1 1 55 55 ILE HD13 H 1 0.762 0.006 . 2 . . . . 55 I QD1 . 16335 1 578 . 1 1 55 55 ILE HG12 H 1 0.994 0.005 . 2 . . . . 55 I HG12 . 16335 1 579 . 1 1 55 55 ILE HG13 H 1 1.267 0.012 . 2 . . . . 55 I HG13 . 16335 1 580 . 1 1 55 55 ILE HG21 H 1 0.795 0.010 . 2 . . . . 55 I QG2 . 16335 1 581 . 1 1 55 55 ILE HG22 H 1 0.795 0.010 . 2 . . . . 55 I QG2 . 16335 1 582 . 1 1 55 55 ILE HG23 H 1 0.795 0.010 . 2 . . . . 55 I QG2 . 16335 1 583 . 1 1 55 55 ILE C C 13 174.293 0.000 . 1 . . . . 55 I C . 16335 1 584 . 1 1 55 55 ILE CA C 13 58.240 0.063 . 1 . . . . 55 I CA . 16335 1 585 . 1 1 55 55 ILE CB C 13 42.545 0.022 . 1 . . . . 55 I CB . 16335 1 586 . 1 1 55 55 ILE CD1 C 13 14.927 0.103 . 1 . . . . 55 I CD1 . 16335 1 587 . 1 1 55 55 ILE CG1 C 13 27.153 0.072 . 1 . . . . 55 I CG1 . 16335 1 588 . 1 1 55 55 ILE CG2 C 13 18.853 0.091 . 1 . . . . 55 I CG2 . 16335 1 589 . 1 1 55 55 ILE N N 15 122.579 0.021 . 1 . . . . 55 I N . 16335 1 590 . 1 1 56 56 GLU H H 1 9.275 0.003 . 1 . . . . 56 E H . 16335 1 591 . 1 1 56 56 GLU HA H 1 5.088 0.003 . 1 . . . . 56 E HA . 16335 1 592 . 1 1 56 56 GLU HB2 H 1 1.888 0.014 . 2 . . . . 56 E QB . 16335 1 593 . 1 1 56 56 GLU HB3 H 1 1.888 0.014 . 2 . . . . 56 E QB . 16335 1 594 . 1 1 56 56 GLU HG2 H 1 1.966 0.005 . 2 . . . . 56 E QG . 16335 1 595 . 1 1 56 56 GLU HG3 H 1 1.966 0.005 . 2 . . . . 56 E QG . 16335 1 596 . 1 1 56 56 GLU C C 13 174.865 0.000 . 1 . . . . 56 E C . 16335 1 597 . 1 1 56 56 GLU CA C 13 55.030 0.061 . 1 . . . . 56 E CA . 16335 1 598 . 1 1 56 56 GLU CB C 13 33.947 0.020 . 1 . . . . 56 E CB . 16335 1 599 . 1 1 56 56 GLU CG C 13 37.009 0.101 . 1 . . . . 56 E CG . 16335 1 600 . 1 1 56 56 GLU N N 15 121.671 0.041 . 1 . . . . 56 E N . 16335 1 601 . 1 1 57 57 ARG H H 1 8.824 0.006 . 1 . . . . 57 R H . 16335 1 602 . 1 1 57 57 ARG HA H 1 4.625 0.006 . 1 . . . . 57 R HA . 16335 1 603 . 1 1 57 57 ARG HB2 H 1 1.483 0.002 . 2 . . . . 57 R HB2 . 16335 1 604 . 1 1 57 57 ARG HB3 H 1 1.775 0.009 . 2 . . . . 57 R HB3 . 16335 1 605 . 1 1 57 57 ARG HD2 H 1 2.950 0.017 . 2 . . . . 57 R HD2 . 16335 1 606 . 1 1 57 57 ARG HD3 H 1 3.291 0.003 . 2 . . . . 57 R HD3 . 16335 1 607 . 1 1 57 57 ARG HE H 1 9.294 0.004 . 1 . . . . 57 R HE . 16335 1 608 . 1 1 57 57 ARG HG2 H 1 1.433 0.026 . 2 . . . . 57 R HG2 . 16335 1 609 . 1 1 57 57 ARG HG3 H 1 1.327 0.000 . 2 . . . . 57 R HG3 . 16335 1 610 . 1 1 57 57 ARG C C 13 175.855 0.000 . 1 . . . . 57 R C . 16335 1 611 . 1 1 57 57 ARG CA C 13 55.217 0.057 . 1 . . . . 57 R CA . 16335 1 612 . 1 1 57 57 ARG CB C 13 33.369 0.085 . 1 . . . . 57 R CB . 16335 1 613 . 1 1 57 57 ARG CD C 13 43.820 0.047 . 1 . . . . 57 R CD . 16335 1 614 . 1 1 57 57 ARG CG C 13 25.227 0.188 . 1 . . . . 57 R CG . 16335 1 615 . 1 1 57 57 ARG N N 15 128.434 0.027 . 1 . . . . 57 R N . 16335 1 616 . 1 1 57 57 ARG NE N 15 84.978 0.016 . 1 . . . . 57 R NE . 16335 1 617 . 1 1 58 58 GLU H H 1 9.744 0.011 . 1 . . . . 58 E H . 16335 1 618 . 1 1 58 58 GLU HA H 1 3.874 0.011 . 1 . . . . 58 E HA . 16335 1 619 . 1 1 58 58 GLU HG2 H 1 2.232 0.019 . 2 . . . . 58 E QG . 16335 1 620 . 1 1 58 58 GLU HG3 H 1 2.232 0.019 . 2 . . . . 58 E QG . 16335 1 621 . 1 1 58 58 GLU C C 13 175.228 0.000 . 1 . . . . 58 E C . 16335 1 622 . 1 1 58 58 GLU CA C 13 57.839 0.072 . 1 . . . . 58 E CA . 16335 1 623 . 1 1 58 58 GLU CB C 13 27.708 0.011 . 1 . . . . 58 E CB . 16335 1 624 . 1 1 58 58 GLU CG C 13 36.981 0.141 . 1 . . . . 58 E CG . 16335 1 625 . 1 1 58 58 GLU N N 15 129.278 0.053 . 1 . . . . 58 E N . 16335 1 626 . 1 1 59 59 GLU H H 1 8.859 0.009 . 1 . . . . 59 E H . 16335 1 627 . 1 1 59 59 GLU HA H 1 3.780 0.004 . 1 . . . . 59 E HA . 16335 1 628 . 1 1 59 59 GLU HB2 H 1 2.232 0.031 . 2 . . . . 59 E HB2 . 16335 1 629 . 1 1 59 59 GLU HB3 H 1 2.340 0.006 . 2 . . . . 59 E HB3 . 16335 1 630 . 1 1 59 59 GLU C C 13 175.335 0.000 . 1 . . . . 59 E C . 16335 1 631 . 1 1 59 59 GLU CA C 13 58.149 0.076 . 1 . . . . 59 E CA . 16335 1 632 . 1 1 59 59 GLU CB C 13 27.737 0.055 . 1 . . . . 59 E CB . 16335 1 633 . 1 1 59 59 GLU CG C 13 37.417 0.000 . 1 . . . . 59 E CG . 16335 1 634 . 1 1 59 59 GLU N N 15 109.096 0.049 . 1 . . . . 59 E N . 16335 1 635 . 1 1 60 60 LYS H H 1 7.868 0.005 . 1 . . . . 60 K H . 16335 1 636 . 1 1 60 60 LYS HA H 1 4.672 0.004 . 1 . . . . 60 K HA . 16335 1 637 . 1 1 60 60 LYS HB2 H 1 1.836 0.007 . 2 . . . . 60 K QB . 16335 1 638 . 1 1 60 60 LYS HB3 H 1 1.836 0.007 . 2 . . . . 60 K QB . 16335 1 639 . 1 1 60 60 LYS HG2 H 1 1.462 0.009 . 2 . . . . 60 K HG2 . 16335 1 640 . 1 1 60 60 LYS HG3 H 1 1.506 0.008 . 2 . . . . 60 K HG3 . 16335 1 641 . 1 1 60 60 LYS C C 13 175.383 0.000 . 1 . . . . 60 K C . 16335 1 642 . 1 1 60 60 LYS CA C 13 54.914 0.025 . 1 . . . . 60 K CA . 16335 1 643 . 1 1 60 60 LYS CB C 13 34.552 0.030 . 1 . . . . 60 K CB . 16335 1 644 . 1 1 60 60 LYS CG C 13 24.630 0.009 . 1 . . . . 60 K CG . 16335 1 645 . 1 1 60 60 LYS N N 15 120.387 0.101 . 1 . . . . 60 K N . 16335 1 646 . 1 1 61 61 GLU H H 1 8.555 0.015 . 1 . . . . 61 E H . 16335 1 647 . 1 1 61 61 GLU HA H 1 5.274 0.007 . 1 . . . . 61 E HA . 16335 1 648 . 1 1 61 61 GLU HB2 H 1 1.818 0.003 . 2 . . . . 61 E HB2 . 16335 1 649 . 1 1 61 61 GLU HB3 H 1 1.983 0.007 . 2 . . . . 61 E HB3 . 16335 1 650 . 1 1 61 61 GLU HG2 H 1 1.988 0.004 . 2 . . . . 61 E HG2 . 16335 1 651 . 1 1 61 61 GLU C C 13 176.936 0.000 . 1 . . . . 61 E C . 16335 1 652 . 1 1 61 61 GLU CA C 13 55.352 0.092 . 1 . . . . 61 E CA . 16335 1 653 . 1 1 61 61 GLU CB C 13 31.970 0.062 . 1 . . . . 61 E CB . 16335 1 654 . 1 1 61 61 GLU CG C 13 37.033 0.087 . 1 . . . . 61 E CG . 16335 1 655 . 1 1 61 61 GLU N N 15 122.597 0.070 . 1 . . . . 61 E N . 16335 1 656 . 1 1 62 62 LYS H H 1 9.083 0.008 . 1 . . . . 62 K H . 16335 1 657 . 1 1 62 62 LYS HA H 1 4.670 0.004 . 1 . . . . 62 K HA . 16335 1 658 . 1 1 62 62 LYS HB2 H 1 1.534 0.007 . 2 . . . . 62 K QB . 16335 1 659 . 1 1 62 62 LYS HB3 H 1 1.534 0.007 . 2 . . . . 62 K QB . 16335 1 660 . 1 1 62 62 LYS HE2 H 1 3.016 0.000 . 2 . . . . 62 K QE . 16335 1 661 . 1 1 62 62 LYS HE3 H 1 3.016 0.000 . 2 . . . . 62 K QE . 16335 1 662 . 1 1 62 62 LYS HG2 H 1 1.272 0.000 . 2 . . . . 62 K HG2 . 16335 1 663 . 1 1 62 62 LYS HG3 H 1 1.359 0.003 . 2 . . . . 62 K HG3 . 16335 1 664 . 1 1 62 62 LYS C C 13 174.025 0.000 . 1 . . . . 62 K C . 16335 1 665 . 1 1 62 62 LYS CA C 13 55.073 0.054 . 1 . . . . 62 K CA . 16335 1 666 . 1 1 62 62 LYS CB C 13 36.065 0.046 . 1 . . . . 62 K CB . 16335 1 667 . 1 1 62 62 LYS CD C 13 28.854 0.000 . 1 . . . . 62 K CD . 16335 1 668 . 1 1 62 62 LYS CE C 13 42.166 0.000 . 1 . . . . 62 K CE . 16335 1 669 . 1 1 62 62 LYS CG C 13 24.240 0.094 . 1 . . . . 62 K CG . 16335 1 670 . 1 1 62 62 LYS N N 15 122.915 0.044 . 1 . . . . 62 K N . 16335 1 671 . 1 1 63 63 ARG H H 1 8.555 0.005 . 1 . . . . 63 R H . 16335 1 672 . 1 1 63 63 ARG HA H 1 5.250 0.006 . 1 . . . . 63 R HA . 16335 1 673 . 1 1 63 63 ARG HB2 H 1 1.664 0.006 . 2 . . . . 63 R HB2 . 16335 1 674 . 1 1 63 63 ARG HB3 H 1 1.819 0.000 . 2 . . . . 63 R HB3 . 16335 1 675 . 1 1 63 63 ARG HD2 H 1 3.127 0.007 . 2 . . . . 63 R QD . 16335 1 676 . 1 1 63 63 ARG HD3 H 1 3.127 0.007 . 2 . . . . 63 R QD . 16335 1 677 . 1 1 63 63 ARG C C 13 175.919 0.000 . 1 . . . . 63 R C . 16335 1 678 . 1 1 63 63 ARG CA C 13 55.203 0.125 . 1 . . . . 63 R CA . 16335 1 679 . 1 1 63 63 ARG CB C 13 32.122 0.057 . 1 . . . . 63 R CB . 16335 1 680 . 1 1 63 63 ARG CD C 13 43.413 0.000 . 1 . . . . 63 R CD . 16335 1 681 . 1 1 63 63 ARG CG C 13 27.970 0.000 . 1 . . . . 63 R CG . 16335 1 682 . 1 1 63 63 ARG N N 15 122.526 0.062 . 1 . . . . 63 R N . 16335 1 683 . 1 1 64 64 VAL H H 1 9.092 0.005 . 1 . . . . 64 V H . 16335 1 684 . 1 1 64 64 VAL HA H 1 4.530 0.009 . 1 . . . . 64 V HA . 16335 1 685 . 1 1 64 64 VAL HB H 1 1.900 0.008 . 1 . . . . 64 V HB . 16335 1 686 . 1 1 64 64 VAL HG11 H 1 0.834 0.005 . 2 . . . . 64 V QG1 . 16335 1 687 . 1 1 64 64 VAL HG12 H 1 0.834 0.005 . 2 . . . . 64 V QG1 . 16335 1 688 . 1 1 64 64 VAL HG13 H 1 0.834 0.005 . 2 . . . . 64 V QG1 . 16335 1 689 . 1 1 64 64 VAL HG21 H 1 0.861 0.007 . 2 . . . . 64 V QG2 . 16335 1 690 . 1 1 64 64 VAL HG22 H 1 0.861 0.007 . 2 . . . . 64 V QG2 . 16335 1 691 . 1 1 64 64 VAL HG23 H 1 0.861 0.007 . 2 . . . . 64 V QG2 . 16335 1 692 . 1 1 64 64 VAL C C 13 173.859 0.000 . 1 . . . . 64 V C . 16335 1 693 . 1 1 64 64 VAL CA C 13 60.475 0.050 . 1 . . . . 64 V CA . 16335 1 694 . 1 1 64 64 VAL CB C 13 35.653 0.062 . 1 . . . . 64 V CB . 16335 1 695 . 1 1 64 64 VAL CG1 C 13 20.358 0.126 . 2 . . . . 64 V CG1 . 16335 1 696 . 1 1 64 64 VAL CG2 C 13 21.538 0.153 . 2 . . . . 64 V CG2 . 16335 1 697 . 1 1 64 64 VAL N N 15 122.613 0.087 . 1 . . . . 64 V N . 16335 1 698 . 1 1 65 65 THR H H 1 8.869 0.007 . 1 . . . . 65 T H . 16335 1 699 . 1 1 65 65 THR HA H 1 5.154 0.006 . 1 . . . . 65 T HA . 16335 1 700 . 1 1 65 65 THR HB H 1 3.869 0.006 . 1 . . . . 65 T HB . 16335 1 701 . 1 1 65 65 THR HG21 H 1 1.095 0.008 . 2 . . . . 65 T QG2 . 16335 1 702 . 1 1 65 65 THR HG22 H 1 1.095 0.008 . 2 . . . . 65 T QG2 . 16335 1 703 . 1 1 65 65 THR HG23 H 1 1.095 0.008 . 2 . . . . 65 T QG2 . 16335 1 704 . 1 1 65 65 THR C C 13 173.539 0.000 . 1 . . . . 65 T C . 16335 1 705 . 1 1 65 65 THR CA C 13 62.280 0.093 . 1 . . . . 65 T CA . 16335 1 706 . 1 1 65 65 THR CB C 13 69.840 0.046 . 1 . . . . 65 T CB . 16335 1 707 . 1 1 65 65 THR CG2 C 13 21.855 0.128 . 1 . . . . 65 T CG2 . 16335 1 708 . 1 1 65 65 THR N N 15 124.225 0.024 . 1 . . . . 65 T N . 16335 1 709 . 1 1 66 66 LEU H H 1 9.025 0.010 . 1 . . . . 66 L H . 16335 1 710 . 1 1 66 66 LEU HA H 1 4.852 0.009 . 1 . . . . 66 L HA . 16335 1 711 . 1 1 66 66 LEU HB2 H 1 1.210 0.007 . 2 . . . . 66 L HB2 . 16335 1 712 . 1 1 66 66 LEU HB3 H 1 1.526 0.013 . 2 . . . . 66 L HB3 . 16335 1 713 . 1 1 66 66 LEU HD11 H 1 0.739 0.008 . 2 . . . . 66 L QD1 . 16335 1 714 . 1 1 66 66 LEU HD12 H 1 0.739 0.008 . 2 . . . . 66 L QD1 . 16335 1 715 . 1 1 66 66 LEU HD13 H 1 0.739 0.008 . 2 . . . . 66 L QD1 . 16335 1 716 . 1 1 66 66 LEU HD21 H 1 0.742 0.002 . 2 . . . . 66 L QD2 . 16335 1 717 . 1 1 66 66 LEU HD22 H 1 0.742 0.002 . 2 . . . . 66 L QD2 . 16335 1 718 . 1 1 66 66 LEU HD23 H 1 0.742 0.002 . 2 . . . . 66 L QD2 . 16335 1 719 . 1 1 66 66 LEU C C 13 174.736 0.000 . 1 . . . . 66 L C . 16335 1 720 . 1 1 66 66 LEU CA C 13 53.001 0.075 . 1 . . . . 66 L CA . 16335 1 721 . 1 1 66 66 LEU CB C 13 45.461 0.049 . 1 . . . . 66 L CB . 16335 1 722 . 1 1 66 66 LEU CD1 C 13 25.023 0.075 . 2 . . . . 66 L CD1 . 16335 1 723 . 1 1 66 66 LEU CD2 C 13 27.374 0.075 . 2 . . . . 66 L CD2 . 16335 1 724 . 1 1 66 66 LEU CG C 13 27.134 0.000 . 1 . . . . 66 L CG . 16335 1 725 . 1 1 66 66 LEU N N 15 126.846 0.054 . 1 . . . . 66 L N . 16335 1 726 . 1 1 67 67 THR H H 1 8.278 0.011 . 1 . . . . 67 T H . 16335 1 727 . 1 1 67 67 THR HA H 1 4.802 0.004 . 1 . . . . 67 T HA . 16335 1 728 . 1 1 67 67 THR HB H 1 3.919 0.008 . 1 . . . . 67 T HB . 16335 1 729 . 1 1 67 67 THR HG21 H 1 1.114 0.006 . 2 . . . . 67 T QG2 . 16335 1 730 . 1 1 67 67 THR HG22 H 1 1.114 0.006 . 2 . . . . 67 T QG2 . 16335 1 731 . 1 1 67 67 THR HG23 H 1 1.114 0.006 . 2 . . . . 67 T QG2 . 16335 1 732 . 1 1 67 67 THR C C 13 174.222 0.000 . 1 . . . . 67 T C . 16335 1 733 . 1 1 67 67 THR CA C 13 61.290 0.092 . 1 . . . . 67 T CA . 16335 1 734 . 1 1 67 67 THR CB C 13 69.352 0.050 . 1 . . . . 67 T CB . 16335 1 735 . 1 1 67 67 THR CG2 C 13 21.230 0.114 . 1 . . . . 67 T CG2 . 16335 1 736 . 1 1 67 67 THR N N 15 118.456 0.021 . 1 . . . . 67 T N . 16335 1 737 . 1 1 68 68 LEU H H 1 8.774 0.007 . 1 . . . . 68 L H . 16335 1 738 . 1 1 68 68 LEU HA H 1 3.802 0.010 . 1 . . . . 68 L HA . 16335 1 739 . 1 1 68 68 LEU HB2 H 1 1.129 0.008 . 2 . . . . 68 L HB2 . 16335 1 740 . 1 1 68 68 LEU HB3 H 1 1.749 0.009 . 2 . . . . 68 L HB3 . 16335 1 741 . 1 1 68 68 LEU HD11 H 1 0.635 0.010 . 2 . . . . 68 L QD1 . 16335 1 742 . 1 1 68 68 LEU HD12 H 1 0.635 0.010 . 2 . . . . 68 L QD1 . 16335 1 743 . 1 1 68 68 LEU HD13 H 1 0.635 0.010 . 2 . . . . 68 L QD1 . 16335 1 744 . 1 1 68 68 LEU HD21 H 1 0.574 0.013 . 2 . . . . 68 L QD2 . 16335 1 745 . 1 1 68 68 LEU HD22 H 1 0.574 0.013 . 2 . . . . 68 L QD2 . 16335 1 746 . 1 1 68 68 LEU HD23 H 1 0.574 0.013 . 2 . . . . 68 L QD2 . 16335 1 747 . 1 1 68 68 LEU HG H 1 1.269 0.003 . 1 . . . . 68 L HG . 16335 1 748 . 1 1 68 68 LEU C C 13 177.375 0.000 . 1 . . . . 68 L C . 16335 1 749 . 1 1 68 68 LEU CA C 13 57.738 0.056 . 1 . . . . 68 L CA . 16335 1 750 . 1 1 68 68 LEU CB C 13 43.012 0.063 . 1 . . . . 68 L CB . 16335 1 751 . 1 1 68 68 LEU CD1 C 13 24.512 0.142 . 2 . . . . 68 L CD1 . 16335 1 752 . 1 1 68 68 LEU CD2 C 13 26.674 0.061 . 2 . . . . 68 L CD2 . 16335 1 753 . 1 1 68 68 LEU CG C 13 31.620 0.018 . 1 . . . . 68 L CG . 16335 1 754 . 1 1 68 68 LEU N N 15 126.416 0.017 . 1 . . . . 68 L N . 16335 1 755 . 1 1 69 69 LYS H H 1 8.318 0.007 . 1 . . . . 69 K H . 16335 1 756 . 1 1 69 69 LYS HA H 1 4.574 0.006 . 1 . . . . 69 K HA . 16335 1 757 . 1 1 69 69 LYS HB2 H 1 1.626 0.008 . 2 . . . . 69 K QB . 16335 1 758 . 1 1 69 69 LYS HB3 H 1 1.626 0.008 . 2 . . . . 69 K QB . 16335 1 759 . 1 1 69 69 LYS HD2 H 1 1.693 0.003 . 2 . . . . 69 K QD . 16335 1 760 . 1 1 69 69 LYS HD3 H 1 1.693 0.003 . 2 . . . . 69 K QD . 16335 1 761 . 1 1 69 69 LYS HE2 H 1 3.024 0.006 . 2 . . . . 69 K QE . 16335 1 762 . 1 1 69 69 LYS HE3 H 1 3.024 0.006 . 2 . . . . 69 K QE . 16335 1 763 . 1 1 69 69 LYS HG2 H 1 1.575 0.007 . 2 . . . . 69 K QG . 16335 1 764 . 1 1 69 69 LYS HG3 H 1 1.575 0.007 . 2 . . . . 69 K QG . 16335 1 765 . 1 1 69 69 LYS C C 13 174.373 0.000 . 1 . . . . 69 K C . 16335 1 766 . 1 1 69 69 LYS CA C 13 54.341 0.038 . 1 . . . . 69 K CA . 16335 1 767 . 1 1 69 69 LYS CB C 13 37.633 0.048 . 1 . . . . 69 K CB . 16335 1 768 . 1 1 69 69 LYS CD C 13 29.734 0.078 . 1 . . . . 69 K CD . 16335 1 769 . 1 1 69 69 LYS CE C 13 42.519 0.000 . 1 . . . . 69 K CE . 16335 1 770 . 1 1 69 69 LYS CG C 13 24.468 0.095 . 1 . . . . 69 K CG . 16335 1 771 . 1 1 69 69 LYS N N 15 121.423 0.028 . 1 . . . . 69 K N . 16335 1 772 . 1 1 70 70 GLN H H 1 8.634 0.006 . 1 . . . . 70 Q H . 16335 1 773 . 1 1 70 70 GLN HA H 1 4.628 0.009 . 1 . . . . 70 Q HA . 16335 1 774 . 1 1 70 70 GLN HB2 H 1 1.998 0.012 . 2 . . . . 70 Q QB . 16335 1 775 . 1 1 70 70 GLN HB3 H 1 1.998 0.012 . 2 . . . . 70 Q QB . 16335 1 776 . 1 1 70 70 GLN HE22 H 1 7.714 0.004 . 2 . . . . 70 Q HE22 . 16335 1 777 . 1 1 70 70 GLN HG2 H 1 2.305 0.012 . 2 . . . . 70 Q HG2 . 16335 1 778 . 1 1 70 70 GLN HG3 H 1 2.478 0.008 . 2 . . . . 70 Q HG3 . 16335 1 779 . 1 1 70 70 GLN C C 13 176.097 0.000 . 1 . . . . 70 Q C . 16335 1 780 . 1 1 70 70 GLN CA C 13 56.045 0.094 . 1 . . . . 70 Q CA . 16335 1 781 . 1 1 70 70 GLN CB C 13 29.548 0.052 . 1 . . . . 70 Q CB . 16335 1 782 . 1 1 70 70 GLN CG C 13 34.145 0.089 . 1 . . . . 70 Q CG . 16335 1 783 . 1 1 70 70 GLN N N 15 122.931 0.035 . 1 . . . . 70 Q N . 16335 1 784 . 1 1 70 70 GLN NE2 N 15 112.669 0.025 . 1 . . . . 70 Q NE2 . 16335 1 785 . 1 1 71 71 PHE H H 1 8.453 0.002 . 1 . . . . 71 F H . 16335 1 786 . 1 1 71 71 PHE HA H 1 4.733 0.002 . 1 . . . . 71 F HA . 16335 1 787 . 1 1 71 71 PHE HB2 H 1 3.145 0.013 . 2 . . . . 71 F QB . 16335 1 788 . 1 1 71 71 PHE HB3 H 1 3.145 0.013 . 2 . . . . 71 F QB . 16335 1 789 . 1 1 71 71 PHE HD1 H 1 7.214 0.034 . 3 . . . . 71 F QD . 16335 1 790 . 1 1 71 71 PHE HD2 H 1 7.214 0.034 . 3 . . . . 71 F QD . 16335 1 791 . 1 1 71 71 PHE HE1 H 1 7.005 0.035 . 3 . . . . 71 F QE . 16335 1 792 . 1 1 71 71 PHE HE2 H 1 7.005 0.035 . 3 . . . . 71 F QE . 16335 1 793 . 1 1 71 71 PHE CA C 13 57.116 0.061 . 1 . . . . 71 F CA . 16335 1 794 . 1 1 71 71 PHE CB C 13 38.528 0.039 . 1 . . . . 71 F CB . 16335 1 795 . 1 1 71 71 PHE CD1 C 13 131.929 0.021 . 3 . . . . 71 F CD1 . 16335 1 796 . 1 1 71 71 PHE CE1 C 13 133.941 0.000 . 3 . . . . 71 F CE1 . 16335 1 797 . 1 1 71 71 PHE N N 15 125.811 0.017 . 1 . . . . 71 F N . 16335 1 798 . 1 1 72 72 PRO HA H 1 4.223 0.013 . 1 . . . . 72 P HA . 16335 1 799 . 1 1 72 72 PRO HB2 H 1 1.923 0.010 . 2 . . . . 72 P HB2 . 16335 1 800 . 1 1 72 72 PRO HB3 H 1 2.319 0.005 . 2 . . . . 72 P HB3 . 16335 1 801 . 1 1 72 72 PRO HD2 H 1 3.839 0.007 . 2 . . . . 72 P HD2 . 16335 1 802 . 1 1 72 72 PRO HD3 H 1 4.156 0.005 . 2 . . . . 72 P HD3 . 16335 1 803 . 1 1 72 72 PRO C C 13 177.526 0.000 . 1 . . . . 72 P C . 16335 1 804 . 1 1 72 72 PRO CA C 13 64.905 0.049 . 1 . . . . 72 P CA . 16335 1 805 . 1 1 72 72 PRO CB C 13 32.021 0.091 . 1 . . . . 72 P CB . 16335 1 806 . 1 1 72 72 PRO CD C 13 51.015 0.063 . 1 . . . . 72 P CD . 16335 1 807 . 1 1 72 72 PRO CG C 13 27.466 0.000 . 1 . . . . 72 P CG . 16335 1 808 . 1 1 73 73 ASP H H 1 8.662 0.017 . 1 . . . . 73 D H . 16335 1 809 . 1 1 73 73 ASP HA H 1 4.640 0.004 . 1 . . . . 73 D HA . 16335 1 810 . 1 1 73 73 ASP HB2 H 1 2.770 0.010 . 2 . . . . 73 D QB . 16335 1 811 . 1 1 73 73 ASP HB3 H 1 2.770 0.010 . 2 . . . . 73 D QB . 16335 1 812 . 1 1 73 73 ASP C C 13 175.691 0.000 . 1 . . . . 73 D C . 16335 1 813 . 1 1 73 73 ASP CA C 13 54.119 0.036 . 1 . . . . 73 D CA . 16335 1 814 . 1 1 73 73 ASP CB C 13 40.769 0.057 . 1 . . . . 73 D CB . 16335 1 815 . 1 1 73 73 ASP N N 15 113.423 0.025 . 1 . . . . 73 D N . 16335 1 816 . 1 1 74 74 GLU H H 1 7.191 0.005 . 1 . . . . 74 E H . 16335 1 817 . 1 1 74 74 GLU HA H 1 4.772 0.011 . 1 . . . . 74 E HA . 16335 1 818 . 1 1 74 74 GLU HB2 H 1 1.806 0.007 . 2 . . . . 74 E HB2 . 16335 1 819 . 1 1 74 74 GLU HB3 H 1 1.993 0.008 . 2 . . . . 74 E HB3 . 16335 1 820 . 1 1 74 74 GLU CA C 13 54.027 0.040 . 1 . . . . 74 E CA . 16335 1 821 . 1 1 74 74 GLU CB C 13 31.547 0.031 . 1 . . . . 74 E CB . 16335 1 822 . 1 1 74 74 GLU N N 15 118.591 0.057 . 1 . . . . 74 E N . 16335 1 823 . 1 1 75 75 PRO HA H 1 4.437 0.002 . 1 . . . . 75 P HA . 16335 1 824 . 1 1 75 75 PRO HB2 H 1 1.939 0.004 . 2 . . . . 75 P HB2 . 16335 1 825 . 1 1 75 75 PRO HB3 H 1 2.284 0.008 . 2 . . . . 75 P HB3 . 16335 1 826 . 1 1 75 75 PRO HD2 H 1 3.398 0.008 . 2 . . . . 75 P HD2 . 16335 1 827 . 1 1 75 75 PRO HD3 H 1 3.710 0.006 . 2 . . . . 75 P HD3 . 16335 1 828 . 1 1 75 75 PRO HG2 H 1 1.939 0.008 . 2 . . . . 75 P QG . 16335 1 829 . 1 1 75 75 PRO HG3 H 1 1.939 0.008 . 2 . . . . 75 P QG . 16335 1 830 . 1 1 75 75 PRO C C 13 176.968 0.000 . 1 . . . . 75 P C . 16335 1 831 . 1 1 75 75 PRO CA C 13 64.682 0.063 . 1 . . . . 75 P CA . 16335 1 832 . 1 1 75 75 PRO CB C 13 32.048 0.094 . 1 . . . . 75 P CB . 16335 1 833 . 1 1 75 75 PRO CD C 13 50.123 0.021 . 1 . . . . 75 P CD . 16335 1 834 . 1 1 75 75 PRO CG C 13 27.183 0.101 . 1 . . . . 75 P CG . 16335 1 835 . 1 1 76 76 ASP H H 1 8.456 0.006 . 1 . . . . 76 D H . 16335 1 836 . 1 1 76 76 ASP HA H 1 4.612 0.007 . 1 . . . . 76 D HA . 16335 1 837 . 1 1 76 76 ASP HB2 H 1 2.692 0.024 . 2 . . . . 76 D QB . 16335 1 838 . 1 1 76 76 ASP HB3 H 1 2.692 0.024 . 2 . . . . 76 D QB . 16335 1 839 . 1 1 76 76 ASP C C 13 175.215 0.000 . 1 . . . . 76 D C . 16335 1 840 . 1 1 76 76 ASP CA C 13 54.357 0.127 . 1 . . . . 76 D CA . 16335 1 841 . 1 1 76 76 ASP CB C 13 40.629 0.054 . 1 . . . . 76 D CB . 16335 1 842 . 1 1 76 76 ASP N N 15 115.696 0.028 . 1 . . . . 76 D N . 16335 1 843 . 1 1 77 77 ARG H H 1 8.432 0.009 . 1 . . . . 77 R H . 16335 1 844 . 1 1 77 77 ARG HA H 1 4.628 0.008 . 1 . . . . 77 R HA . 16335 1 845 . 1 1 77 77 ARG HB2 H 1 1.607 0.005 . 2 . . . . 77 R HB2 . 16335 1 846 . 1 1 77 77 ARG HB3 H 1 1.798 0.006 . 2 . . . . 77 R HB3 . 16335 1 847 . 1 1 77 77 ARG HD2 H 1 2.817 0.007 . 2 . . . . 77 R HD2 . 16335 1 848 . 1 1 77 77 ARG HD3 H 1 3.061 0.013 . 2 . . . . 77 R HD3 . 16335 1 849 . 1 1 77 77 ARG HG3 H 1 1.606 0.004 . 2 . . . . 77 R HG3 . 16335 1 850 . 1 1 77 77 ARG C C 13 173.278 0.000 . 1 . . . . 77 R C . 16335 1 851 . 1 1 77 77 ARG CA C 13 55.779 0.067 . 1 . . . . 77 R CA . 16335 1 852 . 1 1 77 77 ARG CB C 13 33.878 0.100 . 1 . . . . 77 R CB . 16335 1 853 . 1 1 77 77 ARG CD C 13 43.467 0.090 . 1 . . . . 77 R CD . 16335 1 854 . 1 1 77 77 ARG CG C 13 27.743 0.108 . 1 . . . . 77 R CG . 16335 1 855 . 1 1 77 77 ARG N N 15 122.498 0.008 . 1 . . . . 77 R N . 16335 1 856 . 1 1 78 78 ALA H H 1 8.476 0.003 . 1 . . . . 78 A H . 16335 1 857 . 1 1 78 78 ALA HA H 1 5.136 0.009 . 1 . . . . 78 A HA . 16335 1 858 . 1 1 78 78 ALA HB1 H 1 1.100 0.007 . 2 . . . . 78 A QB . 16335 1 859 . 1 1 78 78 ALA HB2 H 1 1.100 0.007 . 2 . . . . 78 A QB . 16335 1 860 . 1 1 78 78 ALA HB3 H 1 1.100 0.007 . 2 . . . . 78 A QB . 16335 1 861 . 1 1 78 78 ALA C C 13 176.695 0.000 . 1 . . . . 78 A C . 16335 1 862 . 1 1 78 78 ALA CA C 13 49.741 0.035 . 1 . . . . 78 A CA . 16335 1 863 . 1 1 78 78 ALA CB C 13 22.117 0.080 . 1 . . . . 78 A CB . 16335 1 864 . 1 1 78 78 ALA N N 15 124.968 0.034 . 1 . . . . 78 A N . 16335 1 865 . 1 1 79 79 GLY H H 1 8.310 0.005 . 1 . . . . 79 G H . 16335 1 866 . 1 1 79 79 GLY HA2 H 1 3.910 0.011 . 2 . . . . 79 G HA2 . 16335 1 867 . 1 1 79 79 GLY HA3 H 1 4.208 0.016 . 2 . . . . 79 G HA3 . 16335 1 868 . 1 1 79 79 GLY CA C 13 46.137 0.063 . 1 . . . . 79 G CA . 16335 1 869 . 1 1 79 79 GLY N N 15 103.820 0.020 . 1 . . . . 79 G N . 16335 1 stop_ save_