################################### # 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 17287 _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 1 '2D 1H-15N HSQC' . . . 17287 1 2 '2D 1H-13C HSQC' . . . 17287 1 3 '3D CBCA(CO)NH' . . . 17287 1 4 '3D C(CO)NH' . . . 17287 1 5 '3D HNCO' . . . 17287 1 6 '3D HNCACB' . . . 17287 1 7 '3D H(CCO)NH' . . . 17287 1 8 '3D 1H-15N NOESY' . . . 17287 1 9 '3D 1H-13C NOESY' . . . 17287 1 10 '3D HNCA' . . . 17287 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 7 $Analysis . . 17287 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 1 1 MET HA H 1 4.517 0.000 . 1 . . . . 1489 M HA . 17287 1 2 . 1 1 1 1 MET HB2 H 1 1.633 0.000 . 2 . . . . 1489 M HB2 . 17287 1 3 . 1 1 1 1 MET HG2 H 1 2.995 0.013 . 2 . . . . 1489 M HG1 . 17287 1 4 . 1 1 1 1 MET HG3 H 1 2.600 0.008 . 2 . . . . 1489 M HG2 . 17287 1 5 . 1 1 1 1 MET HE1 H 1 1.494 0.000 . 1 . . . . 1489 M HE1 . 17287 1 6 . 1 1 1 1 MET HE2 H 1 1.494 0.000 . 1 . . . . 1489 M HE2 . 17287 1 7 . 1 1 1 1 MET HE3 H 1 1.494 0.000 . 1 . . . . 1489 M HE3 . 17287 1 8 . 1 1 1 1 MET C C 13 175.293 0.000 . 1 . . . . 1489 M C . 17287 1 9 . 1 1 1 1 MET CB C 13 31.737 0.025 . 1 . . . . 1489 M CB . 17287 1 10 . 1 1 1 1 MET CG C 13 31.980 0.061 . 1 . . . . 1489 M CG . 17287 1 11 . 1 1 1 1 MET CE C 13 18.839 0.000 . 1 . . . . 1489 M CE . 17287 1 12 . 1 1 2 2 VAL H H 1 8.259 0.007 . 1 . . . . 1490 V HN . 17287 1 13 . 1 1 2 2 VAL HA H 1 4.141 0.005 . 1 . . . . 1490 V HA . 17287 1 14 . 1 1 2 2 VAL HB H 1 2.007 0.014 . 1 . . . . 1490 V HB . 17287 1 15 . 1 1 2 2 VAL HG11 H 1 0.892 0.008 . 2 . . . . 1490 V HG11 . 17287 1 16 . 1 1 2 2 VAL HG12 H 1 0.892 0.008 . 2 . . . . 1490 V HG12 . 17287 1 17 . 1 1 2 2 VAL HG13 H 1 0.892 0.008 . 2 . . . . 1490 V HG13 . 17287 1 18 . 1 1 2 2 VAL HG21 H 1 0.901 0.003 . 2 . . . . 1490 V HG21 . 17287 1 19 . 1 1 2 2 VAL HG22 H 1 0.901 0.003 . 2 . . . . 1490 V HG22 . 17287 1 20 . 1 1 2 2 VAL HG23 H 1 0.901 0.003 . 2 . . . . 1490 V HG23 . 17287 1 21 . 1 1 2 2 VAL C C 13 175.531 0.000 . 1 . . . . 1490 V C . 17287 1 22 . 1 1 2 2 VAL CA C 13 62.070 0.084 . 1 . . . . 1490 V CA . 17287 1 23 . 1 1 2 2 VAL CB C 13 32.301 0.049 . 1 . . . . 1490 V CB . 17287 1 24 . 1 1 2 2 VAL CG1 C 13 20.655 0.044 . 2 . . . . 1490 V CG1 . 17287 1 25 . 1 1 2 2 VAL CG2 C 13 20.565 0.117 . 2 . . . . 1490 V CG2 . 17287 1 26 . 1 1 2 2 VAL N N 15 122.098 0.132 . 1 . . . . 1490 V N . 17287 1 27 . 1 1 3 3 GLN H H 1 8.521 0.006 . 1 . . . . 1491 Q HN . 17287 1 28 . 1 1 3 3 GLN HA H 1 4.370 0.003 . 1 . . . . 1491 Q HA . 17287 1 29 . 1 1 3 3 GLN HB2 H 1 2.093 0.009 . 2 . . . . 1491 Q HB1 . 17287 1 30 . 1 1 3 3 GLN HB3 H 1 1.962 0.003 . 2 . . . . 1491 Q HB2 . 17287 1 31 . 1 1 3 3 GLN HG2 H 1 2.323 0.005 . 2 . . . . 1491 Q HG1 . 17287 1 32 . 1 1 3 3 GLN HG3 H 1 2.316 0.001 . 2 . . . . 1491 Q HG2 . 17287 1 33 . 1 1 3 3 GLN HE21 H 1 6.854 0.014 . 2 . . . . 1491 Q HE21 . 17287 1 34 . 1 1 3 3 GLN HE22 H 1 7.532 0.006 . 2 . . . . 1491 Q HE22 . 17287 1 35 . 1 1 3 3 GLN C C 13 175.147 0.000 . 1 . . . . 1491 Q C . 17287 1 36 . 1 1 3 3 GLN CA C 13 55.166 0.075 . 1 . . . . 1491 Q CA . 17287 1 37 . 1 1 3 3 GLN CB C 13 29.406 0.129 . 1 . . . . 1491 Q CB . 17287 1 38 . 1 1 3 3 GLN CG C 13 33.437 0.111 . 1 . . . . 1491 Q CG . 17287 1 39 . 1 1 3 3 GLN CD C 13 180.611 0.005 . 1 . . . . 1491 Q CD . 17287 1 40 . 1 1 3 3 GLN N N 15 125.334 0.100 . 1 . . . . 1491 Q N . 17287 1 41 . 1 1 3 3 GLN NE2 N 15 113.235 0.276 . 1 . . . . 1491 Q NE2 . 17287 1 42 . 1 1 4 4 ASP H H 1 8.435 0.008 . 1 . . . . 1492 D HN . 17287 1 43 . 1 1 4 4 ASP HA H 1 4.647 0.004 . 1 . . . . 1492 D HA . 17287 1 44 . 1 1 4 4 ASP HB2 H 1 2.615 0.006 . 2 . . . . 1492 D HB1 . 17287 1 45 . 1 1 4 4 ASP HB3 H 1 2.495 0.004 . 2 . . . . 1492 D HB2 . 17287 1 46 . 1 1 4 4 ASP C C 13 175.819 0.000 . 1 . . . . 1492 D C . 17287 1 47 . 1 1 4 4 ASP CA C 13 53.595 0.040 . 1 . . . . 1492 D CA . 17287 1 48 . 1 1 4 4 ASP CB C 13 40.465 0.068 . 1 . . . . 1492 D CB . 17287 1 49 . 1 1 4 4 ASP N N 15 123.155 0.096 . 1 . . . . 1492 D N . 17287 1 50 . 1 1 5 5 ASN H H 1 8.667 0.005 . 1 . . . . 1493 N HN . 17287 1 51 . 1 1 5 5 ASN HA H 1 4.663 0.003 . 1 . . . . 1493 N HA . 17287 1 52 . 1 1 5 5 ASN HB2 H 1 2.800 0.005 . 2 . . . . 1493 N HB1 . 17287 1 53 . 1 1 5 5 ASN HB3 H 1 2.622 0.008 . 2 . . . . 1493 N HB2 . 17287 1 54 . 1 1 5 5 ASN HD21 H 1 6.519 0.006 . 2 . . . . 1493 N HD21 . 17287 1 55 . 1 1 5 5 ASN HD22 H 1 7.269 0.005 . 2 . . . . 1493 N HD22 . 17287 1 56 . 1 1 5 5 ASN C C 13 174.556 0.000 . 1 . . . . 1493 N C . 17287 1 57 . 1 1 5 5 ASN CA C 13 52.283 0.142 . 1 . . . . 1493 N CA . 17287 1 58 . 1 1 5 5 ASN CB C 13 38.144 0.101 . 1 . . . . 1493 N CB . 17287 1 59 . 1 1 5 5 ASN N N 15 119.199 0.139 . 1 . . . . 1493 N N . 17287 1 60 . 1 1 5 5 ASN ND2 N 15 110.693 0.044 . 1 . . . . 1493 N ND2 . 17287 1 61 . 1 1 6 6 CYS H H 1 9.317 0.004 . 1 . . . . 1494 C HN . 17287 1 62 . 1 1 6 6 CYS HA H 1 3.773 0.006 . 1 . . . . 1494 C HA . 17287 1 63 . 1 1 6 6 CYS HB2 H 1 3.663 0.011 . 2 . . . . 1494 C HB1 . 17287 1 64 . 1 1 6 6 CYS HB3 H 1 3.026 0.005 . 2 . . . . 1494 C HB2 . 17287 1 65 . 1 1 6 6 CYS C C 13 171.544 0.000 . 1 . . . . 1494 C C . 17287 1 66 . 1 1 6 6 CYS CA C 13 59.248 0.082 . 1 . . . . 1494 C CA . 17287 1 67 . 1 1 6 6 CYS CB C 13 40.675 0.092 . 1 . . . . 1494 C CB . 17287 1 68 . 1 1 6 6 CYS N N 15 122.714 0.119 . 1 . . . . 1494 C N . 17287 1 69 . 1 1 7 7 GLN H H 1 7.447 0.005 . 1 . . . . 1495 Q HN . 17287 1 70 . 1 1 7 7 GLN HA H 1 5.265 0.007 . 1 . . . . 1495 Q HA . 17287 1 71 . 1 1 7 7 GLN HB2 H 1 2.097 0.006 . 2 . . . . 1495 Q HB1 . 17287 1 72 . 1 1 7 7 GLN HB3 H 1 1.836 0.005 . 2 . . . . 1495 Q HB2 . 17287 1 73 . 1 1 7 7 GLN HG2 H 1 2.073 0.005 . 2 . . . . 1495 Q HG1 . 17287 1 74 . 1 1 7 7 GLN HG3 H 1 2.060 0.006 . 2 . . . . 1495 Q HG2 . 17287 1 75 . 1 1 7 7 GLN HE21 H 1 6.589 0.003 . 2 . . . . 1495 Q HE21 . 17287 1 76 . 1 1 7 7 GLN HE22 H 1 6.966 0.005 . 2 . . . . 1495 Q HE22 . 17287 1 77 . 1 1 7 7 GLN C C 13 174.661 0.000 . 1 . . . . 1495 Q C . 17287 1 78 . 1 1 7 7 GLN CA C 13 53.536 0.094 . 1 . . . . 1495 Q CA . 17287 1 79 . 1 1 7 7 GLN CB C 13 33.037 0.138 . 1 . . . . 1495 Q CB . 17287 1 80 . 1 1 7 7 GLN CG C 13 33.040 0.071 . 1 . . . . 1495 Q CG . 17287 1 81 . 1 1 7 7 GLN N N 15 113.024 0.109 . 1 . . . . 1495 Q N . 17287 1 82 . 1 1 7 7 GLN NE2 N 15 110.917 0.038 . 1 . . . . 1495 Q NE2 . 17287 1 83 . 1 1 8 8 VAL H H 1 8.689 0.005 . 1 . . . . 1496 V HN . 17287 1 84 . 1 1 8 8 VAL HA H 1 4.547 0.004 . 1 . . . . 1496 V HA . 17287 1 85 . 1 1 8 8 VAL HB H 1 2.086 0.004 . 1 . . . . 1496 V HB . 17287 1 86 . 1 1 8 8 VAL HG11 H 1 0.722 0.006 . 2 . . . . 1496 V HG11 . 17287 1 87 . 1 1 8 8 VAL HG12 H 1 0.722 0.006 . 2 . . . . 1496 V HG12 . 17287 1 88 . 1 1 8 8 VAL HG13 H 1 0.722 0.006 . 2 . . . . 1496 V HG13 . 17287 1 89 . 1 1 8 8 VAL HG21 H 1 1.270 0.003 . 2 . . . . 1496 V HG21 . 17287 1 90 . 1 1 8 8 VAL HG22 H 1 1.270 0.003 . 2 . . . . 1496 V HG22 . 17287 1 91 . 1 1 8 8 VAL HG23 H 1 1.270 0.003 . 2 . . . . 1496 V HG23 . 17287 1 92 . 1 1 8 8 VAL C C 13 171.560 0.000 . 1 . . . . 1496 V C . 17287 1 93 . 1 1 8 8 VAL CA C 13 60.835 0.067 . 1 . . . . 1496 V CA . 17287 1 94 . 1 1 8 8 VAL CB C 13 33.571 0.040 . 1 . . . . 1496 V CB . 17287 1 95 . 1 1 8 8 VAL CG1 C 13 20.146 0.081 . 2 . . . . 1496 V CG1 . 17287 1 96 . 1 1 8 8 VAL CG2 C 13 22.869 0.071 . 2 . . . . 1496 V CG2 . 17287 1 97 . 1 1 8 8 VAL N N 15 120.597 0.094 . 1 . . . . 1496 V N . 17287 1 98 . 1 1 9 9 THR H H 1 7.846 0.005 . 1 . . . . 1497 T HN . 17287 1 99 . 1 1 9 9 THR HA H 1 5.411 0.006 . 1 . . . . 1497 T HA . 17287 1 100 . 1 1 9 9 THR HB H 1 3.710 0.006 . 1 . . . . 1497 T HB . 17287 1 101 . 1 1 9 9 THR HG21 H 1 0.830 0.002 . 1 . . . . 1497 T HG21 . 17287 1 102 . 1 1 9 9 THR HG22 H 1 0.830 0.002 . 1 . . . . 1497 T HG22 . 17287 1 103 . 1 1 9 9 THR HG23 H 1 0.830 0.002 . 1 . . . . 1497 T HG23 . 17287 1 104 . 1 1 9 9 THR C C 13 175.064 0.000 . 1 . . . . 1497 T C . 17287 1 105 . 1 1 9 9 THR CA C 13 59.926 0.092 . 1 . . . . 1497 T CA . 17287 1 106 . 1 1 9 9 THR CB C 13 70.303 0.110 . 1 . . . . 1497 T CB . 17287 1 107 . 1 1 9 9 THR CG2 C 13 21.093 0.053 . 1 . . . . 1497 T CG2 . 17287 1 108 . 1 1 9 9 THR N N 15 121.069 0.132 . 1 . . . . 1497 T N . 17287 1 109 . 1 1 10 10 ASN H H 1 8.541 0.008 . 1 . . . . 1498 N HN . 17287 1 110 . 1 1 10 10 ASN HA H 1 4.233 0.005 . 1 . . . . 1498 N HA . 17287 1 111 . 1 1 10 10 ASN HB2 H 1 3.209 0.008 . 2 . . . . 1498 N HB1 . 17287 1 112 . 1 1 10 10 ASN HB3 H 1 2.422 0.008 . 2 . . . . 1498 N HB2 . 17287 1 113 . 1 1 10 10 ASN HD21 H 1 7.203 0.006 . 2 . . . . 1498 N HD21 . 17287 1 114 . 1 1 10 10 ASN HD22 H 1 9.548 0.007 . 2 . . . . 1498 N HD22 . 17287 1 115 . 1 1 10 10 ASN CA C 13 53.685 0.000 . 1 . . . . 1498 N CA . 17287 1 116 . 1 1 10 10 ASN CB C 13 37.871 0.049 . 1 . . . . 1498 N CB . 17287 1 117 . 1 1 10 10 ASN N N 15 122.492 0.098 . 1 . . . . 1498 N N . 17287 1 118 . 1 1 10 10 ASN ND2 N 15 118.678 0.105 . 1 . . . . 1498 N ND2 . 17287 1 119 . 1 1 11 11 PRO HA H 1 4.190 0.005 . 1 . . . . 1499 P HA . 17287 1 120 . 1 1 11 11 PRO HB2 H 1 2.313 0.003 . 2 . . . . 1499 P HB1 . 17287 1 121 . 1 1 11 11 PRO HB3 H 1 1.965 0.006 . 2 . . . . 1499 P HB2 . 17287 1 122 . 1 1 11 11 PRO HG2 H 1 2.085 0.004 . 2 . . . . 1499 P HG1 . 17287 1 123 . 1 1 11 11 PRO HG3 H 1 2.076 0.004 . 2 . . . . 1499 P HG2 . 17287 1 124 . 1 1 11 11 PRO HD2 H 1 4.115 0.004 . 2 . . . . 1499 P HD1 . 17287 1 125 . 1 1 11 11 PRO HD3 H 1 3.779 0.004 . 2 . . . . 1499 P HD2 . 17287 1 126 . 1 1 11 11 PRO C C 13 177.793 0.000 . 1 . . . . 1499 P C . 17287 1 127 . 1 1 11 11 PRO CA C 13 63.571 0.086 . 1 . . . . 1499 P CA . 17287 1 128 . 1 1 11 11 PRO CB C 13 31.566 0.005 . 1 . . . . 1499 P CB . 17287 1 129 . 1 1 11 11 PRO CG C 13 26.642 0.084 . 1 . . . . 1499 P CG . 17287 1 130 . 1 1 11 11 PRO CD C 13 50.571 0.138 . 1 . . . . 1499 P CD . 17287 1 131 . 1 1 12 12 ALA H H 1 7.709 0.004 . 1 . . . . 1500 A HN . 17287 1 132 . 1 1 12 12 ALA HA H 1 4.224 0.009 . 1 . . . . 1500 A HA . 17287 1 133 . 1 1 12 12 ALA HB1 H 1 1.473 0.006 . 1 . . . . 1500 A HB1 . 17287 1 134 . 1 1 12 12 ALA HB2 H 1 1.473 0.006 . 1 . . . . 1500 A HB2 . 17287 1 135 . 1 1 12 12 ALA HB3 H 1 1.473 0.006 . 1 . . . . 1500 A HB3 . 17287 1 136 . 1 1 12 12 ALA C C 13 178.878 0.000 . 1 . . . . 1500 A C . 17287 1 137 . 1 1 12 12 ALA CA C 13 53.566 0.067 . 1 . . . . 1500 A CA . 17287 1 138 . 1 1 12 12 ALA CB C 13 19.105 0.088 . 1 . . . . 1500 A CB . 17287 1 139 . 1 1 12 12 ALA N N 15 118.462 0.107 . 1 . . . . 1500 A N . 17287 1 140 . 1 1 13 13 THR H H 1 6.716 0.004 . 1 . . . . 1501 T HN . 17287 1 141 . 1 1 13 13 THR HA H 1 4.471 0.008 . 1 . . . . 1501 T HA . 17287 1 142 . 1 1 13 13 THR HB H 1 4.322 0.006 . 1 . . . . 1501 T HB . 17287 1 143 . 1 1 13 13 THR HG21 H 1 1.087 0.002 . 1 . . . . 1501 T HG21 . 17287 1 144 . 1 1 13 13 THR HG22 H 1 1.087 0.002 . 1 . . . . 1501 T HG22 . 17287 1 145 . 1 1 13 13 THR HG23 H 1 1.087 0.002 . 1 . . . . 1501 T HG23 . 17287 1 146 . 1 1 13 13 THR C C 13 176.373 0.000 . 1 . . . . 1501 T C . 17287 1 147 . 1 1 13 13 THR CA C 13 60.251 0.080 . 1 . . . . 1501 T CA . 17287 1 148 . 1 1 13 13 THR CB C 13 70.928 0.037 . 1 . . . . 1501 T CB . 17287 1 149 . 1 1 13 13 THR CG2 C 13 20.874 0.072 . 1 . . . . 1501 T CG2 . 17287 1 150 . 1 1 13 13 THR N N 15 103.957 0.128 . 1 . . . . 1501 T N . 17287 1 151 . 1 1 14 14 GLY H H 1 8.702 0.005 . 1 . . . . 1502 G HN . 17287 1 152 . 1 1 14 14 GLY HA2 H 1 4.101 0.005 . 2 . . . . 1502 G HA1 . 17287 1 153 . 1 1 14 14 GLY HA3 H 1 3.372 0.004 . 2 . . . . 1502 G HA2 . 17287 1 154 . 1 1 14 14 GLY C C 13 173.093 0.000 . 1 . . . . 1502 G C . 17287 1 155 . 1 1 14 14 GLY CA C 13 44.640 0.076 . 1 . . . . 1502 G CA . 17287 1 156 . 1 1 14 14 GLY N N 15 112.614 0.072 . 1 . . . . 1502 G N . 17287 1 157 . 1 1 15 15 TYR H H 1 7.685 0.004 . 1 . . . . 1503 Y HN . 17287 1 158 . 1 1 15 15 TYR HA H 1 3.711 0.004 . 1 . . . . 1503 Y HA . 17287 1 159 . 1 1 15 15 TYR HB2 H 1 2.751 0.009 . 2 . . . . 1503 Y HB1 . 17287 1 160 . 1 1 15 15 TYR HB3 H 1 2.144 0.012 . 2 . . . . 1503 Y HB2 . 17287 1 161 . 1 1 15 15 TYR HD1 H 1 5.921 0.004 . 3 . . . . 1503 Y HD# . 17287 1 162 . 1 1 15 15 TYR HD2 H 1 5.921 0.004 . 3 . . . . 1503 Y HD# . 17287 1 163 . 1 1 15 15 TYR HE1 H 1 6.345 0.005 . 3 . . . . 1503 Y HE# . 17287 1 164 . 1 1 15 15 TYR HE2 H 1 6.345 0.005 . 3 . . . . 1503 Y HE# . 17287 1 165 . 1 1 15 15 TYR C C 13 173.597 0.000 . 1 . . . . 1503 Y C . 17287 1 166 . 1 1 15 15 TYR CA C 13 59.547 0.061 . 1 . . . . 1503 Y CA . 17287 1 167 . 1 1 15 15 TYR CB C 13 39.131 0.094 . 1 . . . . 1503 Y CB . 17287 1 168 . 1 1 15 15 TYR CD1 C 13 132.463 0.037 . 3 . . . . 1503 Y CD* . 17287 1 169 . 1 1 15 15 TYR CD2 C 13 132.463 0.037 . 3 . . . . 1503 Y CD* . 17287 1 170 . 1 1 15 15 TYR CE1 C 13 117.995 0.000 . 3 . . . . 1503 Y CE* . 17287 1 171 . 1 1 15 15 TYR CE2 C 13 117.995 0.000 . 3 . . . . 1503 Y CE* . 17287 1 172 . 1 1 15 15 TYR N N 15 123.797 0.038 . 1 . . . . 1503 Y N . 17287 1 173 . 1 1 16 16 VAL H H 1 7.031 0.005 . 1 . . . . 1504 V HN . 17287 1 174 . 1 1 16 16 VAL HA H 1 3.947 0.006 . 1 . . . . 1504 V HA . 17287 1 175 . 1 1 16 16 VAL HB H 1 1.500 0.006 . 1 . . . . 1504 V HB . 17287 1 176 . 1 1 16 16 VAL HG11 H 1 0.510 0.004 . 2 . . . . 1504 V HG11 . 17287 1 177 . 1 1 16 16 VAL HG12 H 1 0.510 0.004 . 2 . . . . 1504 V HG12 . 17287 1 178 . 1 1 16 16 VAL HG13 H 1 0.510 0.004 . 2 . . . . 1504 V HG13 . 17287 1 179 . 1 1 16 16 VAL HG21 H 1 0.715 0.005 . 2 . . . . 1504 V HG21 . 17287 1 180 . 1 1 16 16 VAL HG22 H 1 0.715 0.005 . 2 . . . . 1504 V HG22 . 17287 1 181 . 1 1 16 16 VAL HG23 H 1 0.715 0.005 . 2 . . . . 1504 V HG23 . 17287 1 182 . 1 1 16 16 VAL C C 13 174.660 0.000 . 1 . . . . 1504 V C . 17287 1 183 . 1 1 16 16 VAL CA C 13 61.192 0.100 . 1 . . . . 1504 V CA . 17287 1 184 . 1 1 16 16 VAL CB C 13 32.096 0.047 . 1 . . . . 1504 V CB . 17287 1 185 . 1 1 16 16 VAL CG1 C 13 20.577 0.067 . 2 . . . . 1504 V CG1 . 17287 1 186 . 1 1 16 16 VAL CG2 C 13 20.233 0.099 . 2 . . . . 1504 V CG2 . 17287 1 187 . 1 1 16 16 VAL N N 15 127.451 0.087 . 1 . . . . 1504 V N . 17287 1 188 . 1 1 17 17 PHE H H 1 9.081 0.006 . 1 . . . . 1505 F HN . 17287 1 189 . 1 1 17 17 PHE HA H 1 4.559 0.006 . 1 . . . . 1505 F HA . 17287 1 190 . 1 1 17 17 PHE HB2 H 1 2.864 0.011 . 2 . . . . 1505 F HB1 . 17287 1 191 . 1 1 17 17 PHE HB3 H 1 2.668 0.005 . 2 . . . . 1505 F HB2 . 17287 1 192 . 1 1 17 17 PHE HD1 H 1 7.356 0.008 . 3 . . . . 1505 F HD# . 17287 1 193 . 1 1 17 17 PHE HD2 H 1 7.356 0.008 . 3 . . . . 1505 F HD# . 17287 1 194 . 1 1 17 17 PHE HE1 H 1 7.239 0.000 . 3 . . . . 1505 F HE# . 17287 1 195 . 1 1 17 17 PHE HE2 H 1 7.239 0.000 . 3 . . . . 1505 F HE# . 17287 1 196 . 1 1 17 17 PHE HZ H 1 6.789 0.004 . 1 . . . . 1505 F HZ . 17287 1 197 . 1 1 17 17 PHE C C 13 175.016 0.000 . 1 . . . . 1505 F C . 17287 1 198 . 1 1 17 17 PHE CA C 13 56.406 0.072 . 1 . . . . 1505 F CA . 17287 1 199 . 1 1 17 17 PHE CB C 13 39.957 0.149 . 1 . . . . 1505 F CB . 17287 1 200 . 1 1 17 17 PHE CD1 C 13 132.216 0.189 . 3 . . . . 1505 F CD* . 17287 1 201 . 1 1 17 17 PHE CD2 C 13 132.216 0.189 . 3 . . . . 1505 F CD* . 17287 1 202 . 1 1 17 17 PHE CZ C 13 130.411 0.014 . 1 . . . . 1505 F CZ . 17287 1 203 . 1 1 17 17 PHE N N 15 127.681 0.106 . 1 . . . . 1505 F N . 17287 1 204 . 1 1 18 18 ASP H H 1 8.533 0.007 . 1 . . . . 1506 D HN . 17287 1 205 . 1 1 18 18 ASP HA H 1 4.889 0.007 . 1 . . . . 1506 D HA . 17287 1 206 . 1 1 18 18 ASP HB2 H 1 2.910 0.009 . 2 . . . . 1506 D HB1 . 17287 1 207 . 1 1 18 18 ASP HB3 H 1 2.221 0.007 . 2 . . . . 1506 D HB2 . 17287 1 208 . 1 1 18 18 ASP C C 13 176.731 0.000 . 1 . . . . 1506 D C . 17287 1 209 . 1 1 18 18 ASP CA C 13 52.741 0.112 . 1 . . . . 1506 D CA . 17287 1 210 . 1 1 18 18 ASP CB C 13 42.991 0.109 . 1 . . . . 1506 D CB . 17287 1 211 . 1 1 18 18 ASP N N 15 121.519 0.073 . 1 . . . . 1506 D N . 17287 1 212 . 1 1 19 19 LEU H H 1 7.988 0.005 . 1 . . . . 1507 L HN . 17287 1 213 . 1 1 19 19 LEU HA H 1 4.326 0.005 . 1 . . . . 1507 L HA . 17287 1 214 . 1 1 19 19 LEU HB2 H 1 1.293 0.003 . 2 . . . . 1507 L HB1 . 17287 1 215 . 1 1 19 19 LEU HB3 H 1 1.250 0.009 . 2 . . . . 1507 L HB2 . 17287 1 216 . 1 1 19 19 LEU HG H 1 0.867 0.007 . 1 . . . . 1507 L HG . 17287 1 217 . 1 1 19 19 LEU HD11 H 1 -0.110 0.006 . 2 . . . . 1507 L HD11 . 17287 1 218 . 1 1 19 19 LEU HD12 H 1 -0.110 0.006 . 2 . . . . 1507 L HD12 . 17287 1 219 . 1 1 19 19 LEU HD13 H 1 -0.110 0.006 . 2 . . . . 1507 L HD13 . 17287 1 220 . 1 1 19 19 LEU HD21 H 1 -0.456 0.004 . 2 . . . . 1507 L HD21 . 17287 1 221 . 1 1 19 19 LEU HD22 H 1 -0.456 0.004 . 2 . . . . 1507 L HD22 . 17287 1 222 . 1 1 19 19 LEU HD23 H 1 -0.456 0.004 . 2 . . . . 1507 L HD23 . 17287 1 223 . 1 1 19 19 LEU C C 13 177.282 0.000 . 1 . . . . 1507 L C . 17287 1 224 . 1 1 19 19 LEU CA C 13 53.292 0.118 . 1 . . . . 1507 L CA . 17287 1 225 . 1 1 19 19 LEU CB C 13 40.198 0.061 . 1 . . . . 1507 L CB . 17287 1 226 . 1 1 19 19 LEU CG C 13 26.433 0.072 . 1 . . . . 1507 L CG . 17287 1 227 . 1 1 19 19 LEU CD1 C 13 21.970 0.047 . 2 . . . . 1507 L CD1 . 17287 1 228 . 1 1 19 19 LEU CD2 C 13 23.822 0.057 . 2 . . . . 1507 L CD2 . 17287 1 229 . 1 1 19 19 LEU N N 15 126.159 0.038 . 1 . . . . 1507 L N . 17287 1 230 . 1 1 20 20 ASN H H 1 8.912 0.009 . 1 . . . . 1508 N HN . 17287 1 231 . 1 1 20 20 ASN HA H 1 3.993 0.006 . 1 . . . . 1508 N HA . 17287 1 232 . 1 1 20 20 ASN HB2 H 1 3.007 0.006 . 2 . . . . 1508 N HB1 . 17287 1 233 . 1 1 20 20 ASN HB3 H 1 2.365 0.007 . 2 . . . . 1508 N HB2 . 17287 1 234 . 1 1 20 20 ASN HD21 H 1 6.995 0.005 . 2 . . . . 1508 N HD21 . 17287 1 235 . 1 1 20 20 ASN HD22 H 1 8.862 0.003 . 2 . . . . 1508 N HD22 . 17287 1 236 . 1 1 20 20 ASN C C 13 178.287 0.000 . 1 . . . . 1508 N C . 17287 1 237 . 1 1 20 20 ASN CA C 13 58.311 0.055 . 1 . . . . 1508 N CA . 17287 1 238 . 1 1 20 20 ASN CB C 13 38.729 0.113 . 1 . . . . 1508 N CB . 17287 1 239 . 1 1 20 20 ASN N N 15 119.940 0.063 . 1 . . . . 1508 N N . 17287 1 240 . 1 1 20 20 ASN ND2 N 15 116.949 0.063 . 1 . . . . 1508 N ND2 . 17287 1 241 . 1 1 21 21 SER H H 1 8.777 0.006 . 1 . . . . 1509 S HN . 17287 1 242 . 1 1 21 21 SER HA H 1 4.148 0.008 . 1 . . . . 1509 S HA . 17287 1 243 . 1 1 21 21 SER HB2 H 1 3.917 0.011 . 2 . . . . 1509 S HB1 . 17287 1 244 . 1 1 21 21 SER HB3 H 1 3.766 0.005 . 2 . . . . 1509 S HB2 . 17287 1 245 . 1 1 21 21 SER HG H 1 4.718 0.000 . 1 . . . . 1509 S HG . 17287 1 246 . 1 1 21 21 SER C C 13 175.357 0.000 . 1 . . . . 1509 S C . 17287 1 247 . 1 1 21 21 SER CA C 13 60.486 0.092 . 1 . . . . 1509 S CA . 17287 1 248 . 1 1 21 21 SER CB C 13 61.675 0.108 . 1 . . . . 1509 S CB . 17287 1 249 . 1 1 21 21 SER N N 15 114.888 0.066 . 1 . . . . 1509 S N . 17287 1 250 . 1 1 22 22 LEU H H 1 7.760 0.004 . 1 . . . . 1510 L HN . 17287 1 251 . 1 1 22 22 LEU HA H 1 4.364 0.003 . 1 . . . . 1510 L HA . 17287 1 252 . 1 1 22 22 LEU HB2 H 1 1.672 0.005 . 2 . . . . 1510 L HB1 . 17287 1 253 . 1 1 22 22 LEU HB3 H 1 1.352 0.002 . 2 . . . . 1510 L HB2 . 17287 1 254 . 1 1 22 22 LEU HG H 1 1.146 0.005 . 1 . . . . 1510 L HG . 17287 1 255 . 1 1 22 22 LEU HD11 H 1 -0.067 0.004 . 2 . . . . 1510 L HD11 . 17287 1 256 . 1 1 22 22 LEU HD12 H 1 -0.067 0.004 . 2 . . . . 1510 L HD12 . 17287 1 257 . 1 1 22 22 LEU HD13 H 1 -0.067 0.004 . 2 . . . . 1510 L HD13 . 17287 1 258 . 1 1 22 22 LEU HD21 H 1 0.590 0.004 . 2 . . . . 1510 L HD21 . 17287 1 259 . 1 1 22 22 LEU HD22 H 1 0.590 0.004 . 2 . . . . 1510 L HD22 . 17287 1 260 . 1 1 22 22 LEU HD23 H 1 0.590 0.004 . 2 . . . . 1510 L HD23 . 17287 1 261 . 1 1 22 22 LEU C C 13 178.964 0.000 . 1 . . . . 1510 L C . 17287 1 262 . 1 1 22 22 LEU CA C 13 54.053 0.080 . 1 . . . . 1510 L CA . 17287 1 263 . 1 1 22 22 LEU CB C 13 41.064 0.028 . 1 . . . . 1510 L CB . 17287 1 264 . 1 1 22 22 LEU CG C 13 24.042 0.124 . 1 . . . . 1510 L CG . 17287 1 265 . 1 1 22 22 LEU CD1 C 13 24.753 0.091 . 2 . . . . 1510 L CD1 . 17287 1 266 . 1 1 22 22 LEU CD2 C 13 20.855 0.052 . 2 . . . . 1510 L CD2 . 17287 1 267 . 1 1 22 22 LEU N N 15 119.955 0.071 . 1 . . . . 1510 L N . 17287 1 268 . 1 1 23 23 LYS H H 1 7.534 0.006 . 1 . . . . 1511 K HN . 17287 1 269 . 1 1 23 23 LYS HA H 1 4.123 0.002 . 1 . . . . 1511 K HA . 17287 1 270 . 1 1 23 23 LYS HB2 H 1 1.751 0.008 . 2 . . . . 1511 K HB1 . 17287 1 271 . 1 1 23 23 LYS HB3 H 1 1.747 0.001 . 2 . . . . 1511 K HB2 . 17287 1 272 . 1 1 23 23 LYS HG2 H 1 1.450 0.000 . 2 . . . . 1511 K HG1 . 17287 1 273 . 1 1 23 23 LYS HG3 H 1 1.430 0.015 . 2 . . . . 1511 K HG2 . 17287 1 274 . 1 1 23 23 LYS HD2 H 1 1.662 0.000 . 2 . . . . 1511 K HD1 . 17287 1 275 . 1 1 23 23 LYS HD3 H 1 1.659 0.003 . 2 . . . . 1511 K HD2 . 17287 1 276 . 1 1 23 23 LYS C C 13 176.857 0.000 . 1 . . . . 1511 K C . 17287 1 277 . 1 1 23 23 LYS CA C 13 58.011 0.053 . 1 . . . . 1511 K CA . 17287 1 278 . 1 1 23 23 LYS CB C 13 32.260 0.026 . 1 . . . . 1511 K CB . 17287 1 279 . 1 1 23 23 LYS CG C 13 25.149 0.000 . 1 . . . . 1511 K CG . 17287 1 280 . 1 1 23 23 LYS CD C 13 29.297 0.002 . 1 . . . . 1511 K CD . 17287 1 281 . 1 1 23 23 LYS N N 15 122.004 0.043 . 1 . . . . 1511 K N . 17287 1 282 . 1 1 24 24 ARG H H 1 8.077 0.003 . 1 . . . . 1512 R HN . 17287 1 283 . 1 1 24 24 ARG HA H 1 4.490 0.004 . 1 . . . . 1512 R HA . 17287 1 284 . 1 1 24 24 ARG HB2 H 1 1.897 0.007 . 2 . . . . 1512 R HB1 . 17287 1 285 . 1 1 24 24 ARG HB3 H 1 1.637 0.004 . 2 . . . . 1512 R HB2 . 17287 1 286 . 1 1 24 24 ARG HG2 H 1 1.489 0.004 . 2 . . . . 1512 R HG1 . 17287 1 287 . 1 1 24 24 ARG HG3 H 1 1.315 0.006 . 2 . . . . 1512 R HG2 . 17287 1 288 . 1 1 24 24 ARG HD2 H 1 2.826 0.013 . 2 . . . . 1512 R HD1 . 17287 1 289 . 1 1 24 24 ARG HD3 H 1 2.630 0.002 . 2 . . . . 1512 R HD2 . 17287 1 290 . 1 1 24 24 ARG C C 13 177.132 0.000 . 1 . . . . 1512 R C . 17287 1 291 . 1 1 24 24 ARG CA C 13 55.301 0.060 . 1 . . . . 1512 R CA . 17287 1 292 . 1 1 24 24 ARG CB C 13 31.788 0.024 . 1 . . . . 1512 R CB . 17287 1 293 . 1 1 24 24 ARG CG C 13 25.182 0.029 . 1 . . . . 1512 R CG . 17287 1 294 . 1 1 24 24 ARG CD C 13 43.183 0.034 . 1 . . . . 1512 R CD . 17287 1 295 . 1 1 24 24 ARG N N 15 121.248 0.048 . 1 . . . . 1512 R N . 17287 1 296 . 1 1 25 25 GLU H H 1 9.281 0.007 . 1 . . . . 1513 E HN . 17287 1 297 . 1 1 25 25 GLU HA H 1 4.015 0.007 . 1 . . . . 1513 E HA . 17287 1 298 . 1 1 25 25 GLU HB2 H 1 1.963 0.008 . 2 . . . . 1513 E HB1 . 17287 1 299 . 1 1 25 25 GLU HB3 H 1 1.950 0.001 . 2 . . . . 1513 E HB2 . 17287 1 300 . 1 1 25 25 GLU HG2 H 1 2.206 0.000 . 2 . . . . 1513 E HG1 . 17287 1 301 . 1 1 25 25 GLU HG3 H 1 2.198 0.010 . 2 . . . . 1513 E HG2 . 17287 1 302 . 1 1 25 25 GLU C C 13 177.550 0.000 . 1 . . . . 1513 E C . 17287 1 303 . 1 1 25 25 GLU CA C 13 59.394 0.101 . 1 . . . . 1513 E CA . 17287 1 304 . 1 1 25 25 GLU CB C 13 28.868 0.066 . 1 . . . . 1513 E CB . 17287 1 305 . 1 1 25 25 GLU CG C 13 35.694 0.080 . 1 . . . . 1513 E CG . 17287 1 306 . 1 1 25 25 GLU N N 15 129.869 0.108 . 1 . . . . 1513 E N . 17287 1 307 . 1 1 26 26 SER H H 1 8.199 0.004 . 1 . . . . 1514 S HN . 17287 1 308 . 1 1 26 26 SER HA H 1 4.191 0.004 . 1 . . . . 1514 S HA . 17287 1 309 . 1 1 26 26 SER HB2 H 1 3.822 0.003 . 2 . . . . 1514 S HB1 . 17287 1 310 . 1 1 26 26 SER HB3 H 1 3.741 0.001 . 2 . . . . 1514 S HB2 . 17287 1 311 . 1 1 26 26 SER C C 13 175.402 0.000 . 1 . . . . 1514 S C . 17287 1 312 . 1 1 26 26 SER CA C 13 58.623 0.070 . 1 . . . . 1514 S CA . 17287 1 313 . 1 1 26 26 SER CB C 13 62.948 0.075 . 1 . . . . 1514 S CB . 17287 1 314 . 1 1 26 26 SER N N 15 111.318 0.095 . 1 . . . . 1514 S N . 17287 1 315 . 1 1 27 27 GLY H H 1 7.452 0.004 . 1 . . . . 1515 G HN . 17287 1 316 . 1 1 27 27 GLY HA2 H 1 3.817 0.008 . 2 . . . . 1515 G HA1 . 17287 1 317 . 1 1 27 27 GLY HA3 H 1 3.728 0.005 . 2 . . . . 1515 G HA2 . 17287 1 318 . 1 1 27 27 GLY C C 13 170.822 0.000 . 1 . . . . 1515 G C . 17287 1 319 . 1 1 27 27 GLY CA C 13 45.259 0.069 . 1 . . . . 1515 G CA . 17287 1 320 . 1 1 27 27 GLY N N 15 108.538 0.044 . 1 . . . . 1515 G N . 17287 1 321 . 1 1 28 28 TYR H H 1 9.226 0.005 . 1 . . . . 1516 Y HN . 17287 1 322 . 1 1 28 28 TYR HA H 1 4.547 0.008 . 1 . . . . 1516 Y HA . 17287 1 323 . 1 1 28 28 TYR HB2 H 1 2.672 0.009 . 2 . . . . 1516 Y HB1 . 17287 1 324 . 1 1 28 28 TYR HB3 H 1 2.561 0.008 . 2 . . . . 1516 Y HB2 . 17287 1 325 . 1 1 28 28 TYR HD1 H 1 7.222 0.007 . 3 . . . . 1516 Y HD# . 17287 1 326 . 1 1 28 28 TYR HD2 H 1 7.222 0.007 . 3 . . . . 1516 Y HD# . 17287 1 327 . 1 1 28 28 TYR HE1 H 1 7.073 0.000 . 3 . . . . 1516 Y HE# . 17287 1 328 . 1 1 28 28 TYR HE2 H 1 7.073 0.000 . 3 . . . . 1516 Y HE# . 17287 1 329 . 1 1 28 28 TYR C C 13 175.052 0.000 . 1 . . . . 1516 Y C . 17287 1 330 . 1 1 28 28 TYR CA C 13 57.118 0.137 . 1 . . . . 1516 Y CA . 17287 1 331 . 1 1 28 28 TYR CB C 13 40.216 0.107 . 1 . . . . 1516 Y CB . 17287 1 332 . 1 1 28 28 TYR CD1 C 13 132.693 0.087 . 3 . . . . 1516 Y CD* . 17287 1 333 . 1 1 28 28 TYR CD2 C 13 132.693 0.087 . 3 . . . . 1516 Y CD* . 17287 1 334 . 1 1 28 28 TYR CE1 C 13 117.446 0.016 . 3 . . . . 1516 Y CE* . 17287 1 335 . 1 1 28 28 TYR CE2 C 13 117.446 0.016 . 3 . . . . 1516 Y CE* . 17287 1 336 . 1 1 28 28 TYR N N 15 121.771 0.104 . 1 . . . . 1516 Y N . 17287 1 337 . 1 1 29 29 THR H H 1 8.868 0.008 . 1 . . . . 1517 T HN . 17287 1 338 . 1 1 29 29 THR HA H 1 5.089 0.007 . 1 . . . . 1517 T HA . 17287 1 339 . 1 1 29 29 THR HB H 1 3.866 0.005 . 1 . . . . 1517 T HB . 17287 1 340 . 1 1 29 29 THR HG21 H 1 1.007 0.003 . 1 . . . . 1517 T HG21 . 17287 1 341 . 1 1 29 29 THR HG22 H 1 1.007 0.003 . 1 . . . . 1517 T HG22 . 17287 1 342 . 1 1 29 29 THR HG23 H 1 1.007 0.003 . 1 . . . . 1517 T HG23 . 17287 1 343 . 1 1 29 29 THR C C 13 173.863 0.000 . 1 . . . . 1517 T C . 17287 1 344 . 1 1 29 29 THR CA C 13 61.404 0.139 . 1 . . . . 1517 T CA . 17287 1 345 . 1 1 29 29 THR CB C 13 69.487 0.053 . 1 . . . . 1517 T CB . 17287 1 346 . 1 1 29 29 THR CG2 C 13 21.294 0.037 . 1 . . . . 1517 T CG2 . 17287 1 347 . 1 1 29 29 THR N N 15 119.852 0.065 . 1 . . . . 1517 T N . 17287 1 348 . 1 1 30 30 ILE H H 1 9.513 0.012 . 1 . . . . 1518 I HN . 17287 1 349 . 1 1 30 30 ILE HA H 1 4.247 0.006 . 1 . . . . 1518 I HA . 17287 1 350 . 1 1 30 30 ILE HB H 1 1.711 0.010 . 1 . . . . 1518 I HB . 17287 1 351 . 1 1 30 30 ILE HG12 H 1 1.244 0.007 . 2 . . . . 1518 I HG11 . 17287 1 352 . 1 1 30 30 ILE HG13 H 1 0.901 0.005 . 2 . . . . 1518 I HG12 . 17287 1 353 . 1 1 30 30 ILE HG21 H 1 0.908 0.007 . 1 . . . . 1518 I HG21 . 17287 1 354 . 1 1 30 30 ILE HG22 H 1 0.908 0.007 . 1 . . . . 1518 I HG22 . 17287 1 355 . 1 1 30 30 ILE HG23 H 1 0.908 0.007 . 1 . . . . 1518 I HG23 . 17287 1 356 . 1 1 30 30 ILE HD11 H 1 0.573 0.006 . 1 . . . . 1518 I HD11 . 17287 1 357 . 1 1 30 30 ILE HD12 H 1 0.573 0.006 . 1 . . . . 1518 I HD12 . 17287 1 358 . 1 1 30 30 ILE HD13 H 1 0.573 0.006 . 1 . . . . 1518 I HD13 . 17287 1 359 . 1 1 30 30 ILE C C 13 174.560 0.000 . 1 . . . . 1518 I C . 17287 1 360 . 1 1 30 30 ILE CA C 13 59.863 0.117 . 1 . . . . 1518 I CA . 17287 1 361 . 1 1 30 30 ILE CB C 13 41.205 0.175 . 1 . . . . 1518 I CB . 17287 1 362 . 1 1 30 30 ILE CG1 C 13 27.702 0.070 . 1 . . . . 1518 I CG1 . 17287 1 363 . 1 1 30 30 ILE CG2 C 13 18.464 0.042 . 1 . . . . 1518 I CG2 . 17287 1 364 . 1 1 30 30 ILE CD1 C 13 15.808 0.084 . 1 . . . . 1518 I CD1 . 17287 1 365 . 1 1 30 30 ILE N N 15 130.393 0.106 . 1 . . . . 1518 I N . 17287 1 366 . 1 1 31 31 SER H H 1 8.832 0.005 . 1 . . . . 1519 S HN . 17287 1 367 . 1 1 31 31 SER HA H 1 4.712 0.002 . 1 . . . . 1519 S HA . 17287 1 368 . 1 1 31 31 SER HB2 H 1 3.741 0.002 . 2 . . . . 1519 S HB1 . 17287 1 369 . 1 1 31 31 SER HB3 H 1 3.644 0.006 . 2 . . . . 1519 S HB2 . 17287 1 370 . 1 1 31 31 SER C C 13 173.554 0.000 . 1 . . . . 1519 S C . 17287 1 371 . 1 1 31 31 SER CA C 13 56.451 0.064 . 1 . . . . 1519 S CA . 17287 1 372 . 1 1 31 31 SER CB C 13 62.849 0.101 . 1 . . . . 1519 S CB . 17287 1 373 . 1 1 31 31 SER N N 15 122.821 0.103 . 1 . . . . 1519 S N . 17287 1 374 . 1 1 32 32 ASP H H 1 8.270 0.006 . 1 . . . . 1520 D HN . 17287 1 375 . 1 1 32 32 ASP HA H 1 4.858 0.011 . 1 . . . . 1520 D HA . 17287 1 376 . 1 1 32 32 ASP HB2 H 1 2.747 0.009 . 2 . . . . 1520 D HB1 . 17287 1 377 . 1 1 32 32 ASP HB3 H 1 2.394 0.005 . 2 . . . . 1520 D HB2 . 17287 1 378 . 1 1 32 32 ASP C C 13 177.146 0.000 . 1 . . . . 1520 D C . 17287 1 379 . 1 1 32 32 ASP CA C 13 53.253 0.042 . 1 . . . . 1520 D CA . 17287 1 380 . 1 1 32 32 ASP CB C 13 45.496 0.057 . 1 . . . . 1520 D CB . 17287 1 381 . 1 1 32 32 ASP N N 15 127.427 0.099 . 1 . . . . 1520 D N . 17287 1 382 . 1 1 33 33 ILE H H 1 8.689 0.006 . 1 . . . . 1521 I HN . 17287 1 383 . 1 1 33 33 ILE HA H 1 3.922 0.005 . 1 . . . . 1521 I HA . 17287 1 384 . 1 1 33 33 ILE HB H 1 1.869 0.004 . 1 . . . . 1521 I HB . 17287 1 385 . 1 1 33 33 ILE HG12 H 1 1.433 0.006 . 2 . . . . 1521 I HG11 . 17287 1 386 . 1 1 33 33 ILE HG13 H 1 1.248 0.008 . 2 . . . . 1521 I HG12 . 17287 1 387 . 1 1 33 33 ILE HG21 H 1 0.906 0.005 . 1 . . . . 1521 I HG21 . 17287 1 388 . 1 1 33 33 ILE HG22 H 1 0.906 0.005 . 1 . . . . 1521 I HG22 . 17287 1 389 . 1 1 33 33 ILE HG23 H 1 0.906 0.005 . 1 . . . . 1521 I HG23 . 17287 1 390 . 1 1 33 33 ILE HD11 H 1 0.855 0.005 . 1 . . . . 1521 I HD11 . 17287 1 391 . 1 1 33 33 ILE HD12 H 1 0.855 0.005 . 1 . . . . 1521 I HD12 . 17287 1 392 . 1 1 33 33 ILE HD13 H 1 0.855 0.005 . 1 . . . . 1521 I HD13 . 17287 1 393 . 1 1 33 33 ILE C C 13 176.314 0.000 . 1 . . . . 1521 I C . 17287 1 394 . 1 1 33 33 ILE CA C 13 63.289 0.065 . 1 . . . . 1521 I CA . 17287 1 395 . 1 1 33 33 ILE CB C 13 37.791 0.114 . 1 . . . . 1521 I CB . 17287 1 396 . 1 1 33 33 ILE CG1 C 13 27.640 0.055 . 1 . . . . 1521 I CG1 . 17287 1 397 . 1 1 33 33 ILE CG2 C 13 17.310 0.137 . 1 . . . . 1521 I CG2 . 17287 1 398 . 1 1 33 33 ILE CD1 C 13 13.116 0.042 . 1 . . . . 1521 I CD1 . 17287 1 399 . 1 1 33 33 ILE N N 15 126.777 0.118 . 1 . . . . 1521 I N . 17287 1 400 . 1 1 34 34 ARG H H 1 8.051 0.004 . 1 . . . . 1522 R HN . 17287 1 401 . 1 1 34 34 ARG HA H 1 4.360 0.008 . 1 . . . . 1522 R HA . 17287 1 402 . 1 1 34 34 ARG HB2 H 1 1.852 0.000 . 2 . . . . 1522 R HB1 . 17287 1 403 . 1 1 34 34 ARG HB3 H 1 1.840 0.009 . 2 . . . . 1522 R HB2 . 17287 1 404 . 1 1 34 34 ARG HG2 H 1 1.623 0.009 . 2 . . . . 1522 R HG1 . 17287 1 405 . 1 1 34 34 ARG HG3 H 1 1.617 0.012 . 2 . . . . 1522 R HG2 . 17287 1 406 . 1 1 34 34 ARG HD2 H 1 3.218 0.006 . 2 . . . . 1522 R HD1 . 17287 1 407 . 1 1 34 34 ARG HD3 H 1 3.122 0.009 . 2 . . . . 1522 R HD2 . 17287 1 408 . 1 1 34 34 ARG C C 13 178.512 0.000 . 1 . . . . 1522 R C . 17287 1 409 . 1 1 34 34 ARG CA C 13 57.133 0.067 . 1 . . . . 1522 R CA . 17287 1 410 . 1 1 34 34 ARG CB C 13 30.796 0.106 . 1 . . . . 1522 R CB . 17287 1 411 . 1 1 34 34 ARG CG C 13 27.054 0.042 . 1 . . . . 1522 R CG . 17287 1 412 . 1 1 34 34 ARG CD C 13 42.678 0.059 . 1 . . . . 1522 R CD . 17287 1 413 . 1 1 34 34 ARG N N 15 119.541 0.082 . 1 . . . . 1522 R N . 17287 1 414 . 1 1 35 35 LYS H H 1 9.077 0.010 . 1 . . . . 1523 K HN . 17287 1 415 . 1 1 35 35 LYS HA H 1 4.371 0.005 . 1 . . . . 1523 K HA . 17287 1 416 . 1 1 35 35 LYS HB2 H 1 2.086 0.002 . 2 . . . . 1523 K HB1 . 17287 1 417 . 1 1 35 35 LYS HB3 H 1 1.960 0.009 . 2 . . . . 1523 K HB2 . 17287 1 418 . 1 1 35 35 LYS HG2 H 1 1.440 0.000 . 2 . . . . 1523 K HG1 . 17287 1 419 . 1 1 35 35 LYS HG3 H 1 1.296 0.011 . 2 . . . . 1523 K HG2 . 17287 1 420 . 1 1 35 35 LYS HD2 H 1 1.588 0.018 . 2 . . . . 1523 K HD1 . 17287 1 421 . 1 1 35 35 LYS HD3 H 1 1.448 0.009 . 2 . . . . 1523 K HD2 . 17287 1 422 . 1 1 35 35 LYS HE2 H 1 2.810 0.000 . 2 . . . . 1523 K HE1 . 17287 1 423 . 1 1 35 35 LYS HE3 H 1 2.737 0.006 . 2 . . . . 1523 K HE2 . 17287 1 424 . 1 1 35 35 LYS C C 13 176.514 0.000 . 1 . . . . 1523 K C . 17287 1 425 . 1 1 35 35 LYS CA C 13 54.238 0.140 . 1 . . . . 1523 K CA . 17287 1 426 . 1 1 35 35 LYS CB C 13 29.502 0.089 . 1 . . . . 1523 K CB . 17287 1 427 . 1 1 35 35 LYS CG C 13 24.393 0.058 . 1 . . . . 1523 K CG . 17287 1 428 . 1 1 35 35 LYS CD C 13 27.510 0.121 . 1 . . . . 1523 K CD . 17287 1 429 . 1 1 35 35 LYS CE C 13 41.527 0.045 . 1 . . . . 1523 K CE . 17287 1 430 . 1 1 35 35 LYS N N 15 117.253 0.125 . 1 . . . . 1523 K N . 17287 1 431 . 1 1 36 36 GLY H H 1 8.093 0.005 . 1 . . . . 1524 G HN . 17287 1 432 . 1 1 36 36 GLY HA2 H 1 4.289 0.010 . 2 . . . . 1524 G HA1 . 17287 1 433 . 1 1 36 36 GLY HA3 H 1 3.809 0.014 . 2 . . . . 1524 G HA2 . 17287 1 434 . 1 1 36 36 GLY C C 13 172.876 0.000 . 1 . . . . 1524 G C . 17287 1 435 . 1 1 36 36 GLY CA C 13 44.337 0.091 . 1 . . . . 1524 G CA . 17287 1 436 . 1 1 36 36 GLY N N 15 110.352 0.063 . 1 . . . . 1524 G N . 17287 1 437 . 1 1 37 37 SER H H 1 8.365 0.007 . 1 . . . . 1525 S HN . 17287 1 438 . 1 1 37 37 SER HA H 1 5.092 0.003 . 1 . . . . 1525 S HA . 17287 1 439 . 1 1 37 37 SER HB2 H 1 3.740 0.003 . 2 . . . . 1525 S HB1 . 17287 1 440 . 1 1 37 37 SER HB3 H 1 3.685 0.011 . 2 . . . . 1525 S HB2 . 17287 1 441 . 1 1 37 37 SER C C 13 174.994 0.000 . 1 . . . . 1525 S C . 17287 1 442 . 1 1 37 37 SER CA C 13 57.983 0.163 . 1 . . . . 1525 S CA . 17287 1 443 . 1 1 37 37 SER CB C 13 63.237 0.055 . 1 . . . . 1525 S CB . 17287 1 444 . 1 1 37 37 SER N N 15 115.637 0.146 . 1 . . . . 1525 S N . 17287 1 445 . 1 1 38 38 ILE H H 1 9.466 0.007 . 1 . . . . 1526 I HN . 17287 1 446 . 1 1 38 38 ILE HA H 1 4.620 0.007 . 1 . . . . 1526 I HA . 17287 1 447 . 1 1 38 38 ILE HB H 1 1.609 0.010 . 1 . . . . 1526 I HB . 17287 1 448 . 1 1 38 38 ILE HG12 H 1 1.483 0.008 . 2 . . . . 1526 I HG11 . 17287 1 449 . 1 1 38 38 ILE HG13 H 1 0.578 0.014 . 2 . . . . 1526 I HG12 . 17287 1 450 . 1 1 38 38 ILE HG21 H 1 0.624 0.008 . 1 . . . . 1526 I HG21 . 17287 1 451 . 1 1 38 38 ILE HG22 H 1 0.624 0.008 . 1 . . . . 1526 I HG22 . 17287 1 452 . 1 1 38 38 ILE HG23 H 1 0.624 0.008 . 1 . . . . 1526 I HG23 . 17287 1 453 . 1 1 38 38 ILE HD11 H 1 0.591 0.005 . 1 . . . . 1526 I HD11 . 17287 1 454 . 1 1 38 38 ILE HD12 H 1 0.591 0.005 . 1 . . . . 1526 I HD12 . 17287 1 455 . 1 1 38 38 ILE HD13 H 1 0.591 0.005 . 1 . . . . 1526 I HD13 . 17287 1 456 . 1 1 38 38 ILE C C 13 174.335 0.000 . 1 . . . . 1526 I C . 17287 1 457 . 1 1 38 38 ILE CA C 13 59.533 0.048 . 1 . . . . 1526 I CA . 17287 1 458 . 1 1 38 38 ILE CB C 13 41.516 0.049 . 1 . . . . 1526 I CB . 17287 1 459 . 1 1 38 38 ILE CG1 C 13 27.550 0.140 . 1 . . . . 1526 I CG1 . 17287 1 460 . 1 1 38 38 ILE CG2 C 13 16.877 0.064 . 1 . . . . 1526 I CG2 . 17287 1 461 . 1 1 38 38 ILE CD1 C 13 15.119 0.155 . 1 . . . . 1526 I CD1 . 17287 1 462 . 1 1 38 38 ILE N N 15 130.419 0.105 . 1 . . . . 1526 I N . 17287 1 463 . 1 1 39 39 ARG H H 1 8.887 0.008 . 1 . . . . 1527 R HN . 17287 1 464 . 1 1 39 39 ARG HA H 1 5.204 0.006 . 1 . . . . 1527 R HA . 17287 1 465 . 1 1 39 39 ARG HB2 H 1 1.749 0.003 . 2 . . . . 1527 R HB1 . 17287 1 466 . 1 1 39 39 ARG HB3 H 1 1.613 0.003 . 2 . . . . 1527 R HB2 . 17287 1 467 . 1 1 39 39 ARG HG2 H 1 1.372 0.005 . 2 . . . . 1527 R HG1 . 17287 1 468 . 1 1 39 39 ARG HG3 H 1 1.341 0.006 . 2 . . . . 1527 R HG2 . 17287 1 469 . 1 1 39 39 ARG HD2 H 1 3.027 0.006 . 2 . . . . 1527 R HD1 . 17287 1 470 . 1 1 39 39 ARG HD3 H 1 3.024 0.004 . 2 . . . . 1527 R HD2 . 17287 1 471 . 1 1 39 39 ARG C C 13 174.748 0.000 . 1 . . . . 1527 R C . 17287 1 472 . 1 1 39 39 ARG CA C 13 52.242 0.125 . 1 . . . . 1527 R CA . 17287 1 473 . 1 1 39 39 ARG CB C 13 30.930 0.060 . 1 . . . . 1527 R CB . 17287 1 474 . 1 1 39 39 ARG CG C 13 26.484 0.072 . 1 . . . . 1527 R CG . 17287 1 475 . 1 1 39 39 ARG CD C 13 41.291 0.086 . 1 . . . . 1527 R CD . 17287 1 476 . 1 1 39 39 ARG N N 15 126.542 0.099 . 1 . . . . 1527 R N . 17287 1 477 . 1 1 40 40 LEU H H 1 8.789 0.006 . 1 . . . . 1528 L HN . 17287 1 478 . 1 1 40 40 LEU HA H 1 5.072 0.005 . 1 . . . . 1528 L HA . 17287 1 479 . 1 1 40 40 LEU HB2 H 1 1.333 0.008 . 2 . . . . 1528 L HB1 . 17287 1 480 . 1 1 40 40 LEU HB3 H 1 0.888 0.005 . 2 . . . . 1528 L HB2 . 17287 1 481 . 1 1 40 40 LEU HG H 1 1.234 0.005 . 1 . . . . 1528 L HG . 17287 1 482 . 1 1 40 40 LEU HD11 H 1 -0.019 0.003 . 2 . . . . 1528 L HD11 . 17287 1 483 . 1 1 40 40 LEU HD12 H 1 -0.019 0.003 . 2 . . . . 1528 L HD12 . 17287 1 484 . 1 1 40 40 LEU HD13 H 1 -0.019 0.003 . 2 . . . . 1528 L HD13 . 17287 1 485 . 1 1 40 40 LEU HD21 H 1 0.238 0.003 . 2 . . . . 1528 L HD21 . 17287 1 486 . 1 1 40 40 LEU HD22 H 1 0.238 0.003 . 2 . . . . 1528 L HD22 . 17287 1 487 . 1 1 40 40 LEU HD23 H 1 0.238 0.003 . 2 . . . . 1528 L HD23 . 17287 1 488 . 1 1 40 40 LEU C C 13 174.751 0.000 . 1 . . . . 1528 L C . 17287 1 489 . 1 1 40 40 LEU CA C 13 53.708 0.104 . 1 . . . . 1528 L CA . 17287 1 490 . 1 1 40 40 LEU CB C 13 46.874 0.084 . 1 . . . . 1528 L CB . 17287 1 491 . 1 1 40 40 LEU CG C 13 25.985 0.001 . 1 . . . . 1528 L CG . 17287 1 492 . 1 1 40 40 LEU CD1 C 13 24.504 0.085 . 2 . . . . 1528 L CD1 . 17287 1 493 . 1 1 40 40 LEU CD2 C 13 22.957 0.069 . 2 . . . . 1528 L CD2 . 17287 1 494 . 1 1 40 40 LEU N N 15 123.458 0.090 . 1 . . . . 1528 L N . 17287 1 495 . 1 1 41 41 GLY H H 1 9.220 0.004 . 1 . . . . 1529 G HN . 17287 1 496 . 1 1 41 41 GLY HA2 H 1 4.719 0.004 . 2 . . . . 1529 G HA1 . 17287 1 497 . 1 1 41 41 GLY HA3 H 1 3.575 0.006 . 2 . . . . 1529 G HA2 . 17287 1 498 . 1 1 41 41 GLY C C 13 173.998 0.000 . 1 . . . . 1529 G C . 17287 1 499 . 1 1 41 41 GLY CA C 13 42.952 0.109 . 1 . . . . 1529 G CA . 17287 1 500 . 1 1 41 41 GLY N N 15 114.318 0.060 . 1 . . . . 1529 G N . 17287 1 501 . 1 1 42 42 VAL H H 1 8.842 0.006 . 1 . . . . 1530 V HN . 17287 1 502 . 1 1 42 42 VAL HA H 1 3.849 0.004 . 1 . . . . 1530 V HA . 17287 1 503 . 1 1 42 42 VAL HB H 1 1.845 0.006 . 1 . . . . 1530 V HB . 17287 1 504 . 1 1 42 42 VAL HG11 H 1 0.695 0.005 . 2 . . . . 1530 V HG11 . 17287 1 505 . 1 1 42 42 VAL HG12 H 1 0.695 0.005 . 2 . . . . 1530 V HG12 . 17287 1 506 . 1 1 42 42 VAL HG13 H 1 0.695 0.005 . 2 . . . . 1530 V HG13 . 17287 1 507 . 1 1 42 42 VAL HG21 H 1 0.912 0.003 . 2 . . . . 1530 V HG21 . 17287 1 508 . 1 1 42 42 VAL HG22 H 1 0.912 0.003 . 2 . . . . 1530 V HG22 . 17287 1 509 . 1 1 42 42 VAL HG23 H 1 0.912 0.003 . 2 . . . . 1530 V HG23 . 17287 1 510 . 1 1 42 42 VAL C C 13 174.582 0.000 . 1 . . . . 1530 V C . 17287 1 511 . 1 1 42 42 VAL CA C 13 62.163 0.070 . 1 . . . . 1530 V CA . 17287 1 512 . 1 1 42 42 VAL CB C 13 32.675 0.057 . 1 . . . . 1530 V CB . 17287 1 513 . 1 1 42 42 VAL CG1 C 13 20.553 0.138 . 2 . . . . 1530 V CG1 . 17287 1 514 . 1 1 42 42 VAL CG2 C 13 22.641 0.113 . 2 . . . . 1530 V CG2 . 17287 1 515 . 1 1 42 42 VAL N N 15 123.209 0.074 . 1 . . . . 1530 V N . 17287 1 516 . 1 1 43 43 CYS H H 1 7.977 0.005 . 1 . . . . 1531 C HN . 17287 1 517 . 1 1 43 43 CYS HA H 1 4.358 0.006 . 1 . . . . 1531 C HA . 17287 1 518 . 1 1 43 43 CYS HB2 H 1 4.242 0.007 . 2 . . . . 1531 C HB1 . 17287 1 519 . 1 1 43 43 CYS HB3 H 1 2.911 0.004 . 2 . . . . 1531 C HB2 . 17287 1 520 . 1 1 43 43 CYS C C 13 170.804 0.000 . 1 . . . . 1531 C C . 17287 1 521 . 1 1 43 43 CYS CA C 13 55.314 0.073 . 1 . . . . 1531 C CA . 17287 1 522 . 1 1 43 43 CYS CB C 13 42.066 0.093 . 1 . . . . 1531 C CB . 17287 1 523 . 1 1 43 43 CYS N N 15 118.962 0.098 . 1 . . . . 1531 C N . 17287 1 524 . 1 1 44 44 GLY H H 1 6.518 0.007 . 1 . . . . 1532 G HN . 17287 1 525 . 1 1 44 44 GLY HA2 H 1 2.923 0.007 . 2 . . . . 1532 G HA1 . 17287 1 526 . 1 1 44 44 GLY HA3 H 1 1.945 0.005 . 2 . . . . 1532 G HA2 . 17287 1 527 . 1 1 44 44 GLY C C 13 169.136 0.000 . 1 . . . . 1532 G C . 17287 1 528 . 1 1 44 44 GLY CA C 13 44.268 0.072 . 1 . . . . 1532 G CA . 17287 1 529 . 1 1 44 44 GLY N N 15 100.034 0.051 . 1 . . . . 1532 G N . 17287 1 530 . 1 1 45 45 GLU H H 1 6.595 0.006 . 1 . . . . 1533 E HN . 17287 1 531 . 1 1 45 45 GLU HA H 1 3.471 0.004 . 1 . . . . 1533 E HA . 17287 1 532 . 1 1 45 45 GLU HB2 H 1 1.625 0.011 . 2 . . . . 1533 E HB1 . 17287 1 533 . 1 1 45 45 GLU HB3 H 1 1.408 0.007 . 2 . . . . 1533 E HB2 . 17287 1 534 . 1 1 45 45 GLU HG2 H 1 1.953 0.005 . 2 . . . . 1533 E HG1 . 17287 1 535 . 1 1 45 45 GLU HG3 H 1 1.735 0.007 . 2 . . . . 1533 E HG2 . 17287 1 536 . 1 1 45 45 GLU C C 13 176.920 0.000 . 1 . . . . 1533 E C . 17287 1 537 . 1 1 45 45 GLU CA C 13 54.835 0.074 . 1 . . . . 1533 E CA . 17287 1 538 . 1 1 45 45 GLU CB C 13 31.446 0.047 . 1 . . . . 1533 E CB . 17287 1 539 . 1 1 45 45 GLU CG C 13 36.270 0.081 . 1 . . . . 1533 E CG . 17287 1 540 . 1 1 45 45 GLU N N 15 115.993 0.114 . 1 . . . . 1533 E N . 17287 1 541 . 1 1 46 46 VAL H H 1 8.079 0.010 . 1 . . . . 1534 V HN . 17287 1 542 . 1 1 46 46 VAL HA H 1 4.189 0.008 . 1 . . . . 1534 V HA . 17287 1 543 . 1 1 46 46 VAL HB H 1 1.552 0.006 . 1 . . . . 1534 V HB . 17287 1 544 . 1 1 46 46 VAL HG11 H 1 0.647 0.008 . 2 . . . . 1534 V HG11 . 17287 1 545 . 1 1 46 46 VAL HG12 H 1 0.647 0.008 . 2 . . . . 1534 V HG12 . 17287 1 546 . 1 1 46 46 VAL HG13 H 1 0.647 0.008 . 2 . . . . 1534 V HG13 . 17287 1 547 . 1 1 46 46 VAL HG21 H 1 0.655 0.002 . 2 . . . . 1534 V HG21 . 17287 1 548 . 1 1 46 46 VAL HG22 H 1 0.655 0.002 . 2 . . . . 1534 V HG22 . 17287 1 549 . 1 1 46 46 VAL HG23 H 1 0.655 0.002 . 2 . . . . 1534 V HG23 . 17287 1 550 . 1 1 46 46 VAL C C 13 176.531 0.000 . 1 . . . . 1534 V C . 17287 1 551 . 1 1 46 46 VAL CA C 13 59.923 0.036 . 1 . . . . 1534 V CA . 17287 1 552 . 1 1 46 46 VAL CB C 13 31.443 0.054 . 1 . . . . 1534 V CB . 17287 1 553 . 1 1 46 46 VAL CG1 C 13 21.187 0.114 . 2 . . . . 1534 V CG1 . 17287 1 554 . 1 1 46 46 VAL CG2 C 13 22.048 0.130 . 2 . . . . 1534 V CG2 . 17287 1 555 . 1 1 46 46 VAL N N 15 123.602 0.093 . 1 . . . . 1534 V N . 17287 1 556 . 1 1 47 47 LYS H H 1 8.623 0.006 . 1 . . . . 1535 K HN . 17287 1 557 . 1 1 47 47 LYS HA H 1 3.805 0.003 . 1 . . . . 1535 K HA . 17287 1 558 . 1 1 47 47 LYS HB2 H 1 1.689 0.004 . 2 . . . . 1535 K HB1 . 17287 1 559 . 1 1 47 47 LYS HB3 H 1 1.676 0.005 . 2 . . . . 1535 K HB2 . 17287 1 560 . 1 1 47 47 LYS HG2 H 1 1.316 0.001 . 2 . . . . 1535 K HG1 . 17287 1 561 . 1 1 47 47 LYS HG3 H 1 1.313 0.001 . 2 . . . . 1535 K HG2 . 17287 1 562 . 1 1 47 47 LYS HD2 H 1 1.540 0.002 . 2 . . . . 1535 K HD1 . 17287 1 563 . 1 1 47 47 LYS HD3 H 1 1.530 0.009 . 2 . . . . 1535 K HD2 . 17287 1 564 . 1 1 47 47 LYS HE2 H 1 2.857 0.005 . 2 . . . . 1535 K HE1 . 17287 1 565 . 1 1 47 47 LYS HE3 H 1 2.803 0.000 . 2 . . . . 1535 K HE2 . 17287 1 566 . 1 1 47 47 LYS C C 13 178.803 0.000 . 1 . . . . 1535 K C . 17287 1 567 . 1 1 47 47 LYS CA C 13 59.645 0.060 . 1 . . . . 1535 K CA . 17287 1 568 . 1 1 47 47 LYS CB C 13 31.525 0.067 . 1 . . . . 1535 K CB . 17287 1 569 . 1 1 47 47 LYS CG C 13 24.096 0.096 . 1 . . . . 1535 K CG . 17287 1 570 . 1 1 47 47 LYS CD C 13 28.456 0.042 . 1 . . . . 1535 K CD . 17287 1 571 . 1 1 47 47 LYS CE C 13 41.445 0.054 . 1 . . . . 1535 K CE . 17287 1 572 . 1 1 47 47 LYS N N 15 129.580 0.017 . 1 . . . . 1535 K N . 17287 1 573 . 1 1 48 48 ASP H H 1 8.789 0.008 . 1 . . . . 1536 D HN . 17287 1 574 . 1 1 48 48 ASP HA H 1 4.280 0.005 . 1 . . . . 1536 D HA . 17287 1 575 . 1 1 48 48 ASP HB2 H 1 2.626 0.002 . 2 . . . . 1536 D HB1 . 17287 1 576 . 1 1 48 48 ASP HB3 H 1 2.217 0.004 . 2 . . . . 1536 D HB2 . 17287 1 577 . 1 1 48 48 ASP C C 13 177.622 0.000 . 1 . . . . 1536 D C . 17287 1 578 . 1 1 48 48 ASP CA C 13 55.342 0.103 . 1 . . . . 1536 D CA . 17287 1 579 . 1 1 48 48 ASP CB C 13 39.404 0.076 . 1 . . . . 1536 D CB . 17287 1 580 . 1 1 48 48 ASP N N 15 116.382 0.073 . 1 . . . . 1536 D N . 17287 1 581 . 1 1 49 49 CYS H H 1 7.930 0.004 . 1 . . . . 1537 C HN . 17287 1 582 . 1 1 49 49 CYS HA H 1 4.635 0.005 . 1 . . . . 1537 C HA . 17287 1 583 . 1 1 49 49 CYS HB2 H 1 3.033 0.009 . 2 . . . . 1537 C HB1 . 17287 1 584 . 1 1 49 49 CYS HB3 H 1 2.917 0.003 . 2 . . . . 1537 C HB2 . 17287 1 585 . 1 1 49 49 CYS C C 13 174.857 0.000 . 1 . . . . 1537 C C . 17287 1 586 . 1 1 49 49 CYS CA C 13 53.394 0.048 . 1 . . . . 1537 C CA . 17287 1 587 . 1 1 49 49 CYS CB C 13 37.868 0.147 . 1 . . . . 1537 C CB . 17287 1 588 . 1 1 49 49 CYS N N 15 115.954 0.061 . 1 . . . . 1537 C N . 17287 1 589 . 1 1 50 50 GLY H H 1 7.209 0.003 . 1 . . . . 1538 G HN . 17287 1 590 . 1 1 50 50 GLY HA2 H 1 4.391 0.008 . 2 . . . . 1538 G HA1 . 17287 1 591 . 1 1 50 50 GLY HA3 H 1 3.834 0.008 . 2 . . . . 1538 G HA2 . 17287 1 592 . 1 1 50 50 GLY CA C 13 43.190 0.055 . 1 . . . . 1538 G CA . 17287 1 593 . 1 1 50 50 GLY N N 15 109.957 0.087 . 1 . . . . 1538 G N . 17287 1 594 . 1 1 51 51 PRO HA H 1 4.334 0.007 . 1 . . . . 1539 P HA . 17287 1 595 . 1 1 51 51 PRO HB2 H 1 2.228 0.007 . 2 . . . . 1539 P HB1 . 17287 1 596 . 1 1 51 51 PRO HB3 H 1 1.880 0.008 . 2 . . . . 1539 P HB2 . 17287 1 597 . 1 1 51 51 PRO HG2 H 1 2.090 0.005 . 2 . . . . 1539 P HG1 . 17287 1 598 . 1 1 51 51 PRO HG3 H 1 1.954 0.006 . 2 . . . . 1539 P HG2 . 17287 1 599 . 1 1 51 51 PRO HD2 H 1 3.640 0.008 . 2 . . . . 1539 P HD1 . 17287 1 600 . 1 1 51 51 PRO HD3 H 1 3.492 0.006 . 2 . . . . 1539 P HD2 . 17287 1 601 . 1 1 51 51 PRO C C 13 179.476 0.000 . 1 . . . . 1539 P C . 17287 1 602 . 1 1 51 51 PRO CA C 13 63.235 0.055 . 1 . . . . 1539 P CA . 17287 1 603 . 1 1 51 51 PRO CB C 13 30.918 0.072 . 1 . . . . 1539 P CB . 17287 1 604 . 1 1 51 51 PRO CG C 13 27.239 0.104 . 1 . . . . 1539 P CG . 17287 1 605 . 1 1 51 51 PRO CD C 13 49.292 0.075 . 1 . . . . 1539 P CD . 17287 1 606 . 1 1 52 52 GLY H H 1 9.757 0.006 . 1 . . . . 1540 G HN . 17287 1 607 . 1 1 52 52 GLY HA2 H 1 4.217 0.005 . 2 . . . . 1540 G HA1 . 17287 1 608 . 1 1 52 52 GLY HA3 H 1 3.810 0.005 . 2 . . . . 1540 G HA2 . 17287 1 609 . 1 1 52 52 GLY C C 13 174.933 0.000 . 1 . . . . 1540 G C . 17287 1 610 . 1 1 52 52 GLY CA C 13 45.310 0.083 . 1 . . . . 1540 G CA . 17287 1 611 . 1 1 52 52 GLY N N 15 113.722 0.062 . 1 . . . . 1540 G N . 17287 1 612 . 1 1 53 53 ILE H H 1 8.065 0.005 . 1 . . . . 1541 I HN . 17287 1 613 . 1 1 53 53 ILE HA H 1 4.261 0.008 . 1 . . . . 1541 I HA . 17287 1 614 . 1 1 53 53 ILE HB H 1 2.052 0.011 . 1 . . . . 1541 I HB . 17287 1 615 . 1 1 53 53 ILE HG12 H 1 1.340 0.001 . 2 . . . . 1541 I HG11 . 17287 1 616 . 1 1 53 53 ILE HG13 H 1 1.330 0.003 . 2 . . . . 1541 I HG12 . 17287 1 617 . 1 1 53 53 ILE HG21 H 1 1.034 0.013 . 1 . . . . 1541 I HG21 . 17287 1 618 . 1 1 53 53 ILE HG22 H 1 1.034 0.013 . 1 . . . . 1541 I HG22 . 17287 1 619 . 1 1 53 53 ILE HG23 H 1 1.034 0.013 . 1 . . . . 1541 I HG23 . 17287 1 620 . 1 1 53 53 ILE HD11 H 1 0.593 0.004 . 1 . . . . 1541 I HD11 . 17287 1 621 . 1 1 53 53 ILE HD12 H 1 0.593 0.004 . 1 . . . . 1541 I HD12 . 17287 1 622 . 1 1 53 53 ILE HD13 H 1 0.593 0.004 . 1 . . . . 1541 I HD13 . 17287 1 623 . 1 1 53 53 ILE C C 13 175.053 0.000 . 1 . . . . 1541 I C . 17287 1 624 . 1 1 53 53 ILE CA C 13 59.467 0.045 . 1 . . . . 1541 I CA . 17287 1 625 . 1 1 53 53 ILE CB C 13 34.948 0.067 . 1 . . . . 1541 I CB . 17287 1 626 . 1 1 53 53 ILE CG1 C 13 25.606 0.001 . 1 . . . . 1541 I CG1 . 17287 1 627 . 1 1 53 53 ILE CG2 C 13 21.030 0.060 . 1 . . . . 1541 I CG2 . 17287 1 628 . 1 1 53 53 ILE CD1 C 13 8.729 0.041 . 1 . . . . 1541 I CD1 . 17287 1 629 . 1 1 53 53 ILE N N 15 124.579 0.105 . 1 . . . . 1541 I N . 17287 1 630 . 1 1 54 54 GLY H H 1 9.014 0.004 . 1 . . . . 1542 G HN . 17287 1 631 . 1 1 54 54 GLY HA2 H 1 4.383 0.008 . 2 . . . . 1542 G HA1 . 17287 1 632 . 1 1 54 54 GLY HA3 H 1 3.110 0.012 . 2 . . . . 1542 G HA2 . 17287 1 633 . 1 1 54 54 GLY C C 13 170.762 0.000 . 1 . . . . 1542 G C . 17287 1 634 . 1 1 54 54 GLY CA C 13 45.069 0.048 . 1 . . . . 1542 G CA . 17287 1 635 . 1 1 54 54 GLY N N 15 113.124 0.060 . 1 . . . . 1542 G N . 17287 1 636 . 1 1 55 55 ALA H H 1 7.167 0.006 . 1 . . . . 1543 A HN . 17287 1 637 . 1 1 55 55 ALA HA H 1 5.486 0.005 . 1 . . . . 1543 A HA . 17287 1 638 . 1 1 55 55 ALA HB1 H 1 1.229 0.003 . 1 . . . . 1543 A HB1 . 17287 1 639 . 1 1 55 55 ALA HB2 H 1 1.229 0.003 . 1 . . . . 1543 A HB2 . 17287 1 640 . 1 1 55 55 ALA HB3 H 1 1.229 0.003 . 1 . . . . 1543 A HB3 . 17287 1 641 . 1 1 55 55 ALA C C 13 176.447 0.000 . 1 . . . . 1543 A C . 17287 1 642 . 1 1 55 55 ALA CA C 13 50.915 0.071 . 1 . . . . 1543 A CA . 17287 1 643 . 1 1 55 55 ALA CB C 13 21.832 0.092 . 1 . . . . 1543 A CB . 17287 1 644 . 1 1 55 55 ALA N N 15 120.129 0.091 . 1 . . . . 1543 A N . 17287 1 645 . 1 1 56 56 CYS H H 1 9.152 0.006 . 1 . . . . 1544 C HN . 17287 1 646 . 1 1 56 56 CYS HA H 1 5.067 0.008 . 1 . . . . 1544 C HA . 17287 1 647 . 1 1 56 56 CYS HB2 H 1 3.204 0.007 . 2 . . . . 1544 C HB1 . 17287 1 648 . 1 1 56 56 CYS HB3 H 1 3.050 0.006 . 2 . . . . 1544 C HB2 . 17287 1 649 . 1 1 56 56 CYS C C 13 170.895 0.000 . 1 . . . . 1544 C C . 17287 1 650 . 1 1 56 56 CYS CA C 13 55.640 0.088 . 1 . . . . 1544 C CA . 17287 1 651 . 1 1 56 56 CYS CB C 13 39.302 0.196 . 1 . . . . 1544 C CB . 17287 1 652 . 1 1 56 56 CYS N N 15 114.492 0.056 . 1 . . . . 1544 C N . 17287 1 653 . 1 1 57 57 PHE H H 1 8.533 0.007 . 1 . . . . 1545 F HN . 17287 1 654 . 1 1 57 57 PHE HA H 1 4.744 0.015 . 1 . . . . 1545 F HA . 17287 1 655 . 1 1 57 57 PHE HB2 H 1 3.264 0.011 . 2 . . . . 1545 F HB1 . 17287 1 656 . 1 1 57 57 PHE HB3 H 1 2.844 0.007 . 2 . . . . 1545 F HB2 . 17287 1 657 . 1 1 57 57 PHE HD1 H 1 7.063 0.010 . 3 . . . . 1545 F HD# . 17287 1 658 . 1 1 57 57 PHE HD2 H 1 7.063 0.010 . 3 . . . . 1545 F HD# . 17287 1 659 . 1 1 57 57 PHE HE1 H 1 6.903 0.006 . 3 . . . . 1545 F HE# . 17287 1 660 . 1 1 57 57 PHE HE2 H 1 6.903 0.006 . 3 . . . . 1545 F HE# . 17287 1 661 . 1 1 57 57 PHE C C 13 176.569 0.000 . 1 . . . . 1545 F C . 17287 1 662 . 1 1 57 57 PHE CA C 13 56.625 0.082 . 1 . . . . 1545 F CA . 17287 1 663 . 1 1 57 57 PHE CB C 13 38.919 0.061 . 1 . . . . 1545 F CB . 17287 1 664 . 1 1 57 57 PHE CD1 C 13 131.737 0.000 . 3 . . . . 1545 F CD* . 17287 1 665 . 1 1 57 57 PHE CD2 C 13 131.737 0.000 . 3 . . . . 1545 F CD* . 17287 1 666 . 1 1 57 57 PHE CE1 C 13 130.104 0.029 . 3 . . . . 1545 F CE* . 17287 1 667 . 1 1 57 57 PHE CE2 C 13 130.104 0.029 . 3 . . . . 1545 F CE* . 17287 1 668 . 1 1 57 57 PHE N N 15 120.316 0.118 . 1 . . . . 1545 F N . 17287 1 669 . 1 1 58 58 GLU H H 1 8.535 0.007 . 1 . . . . 1546 E HN . 17287 1 670 . 1 1 58 58 GLU HA H 1 4.014 0.004 . 1 . . . . 1546 E HA . 17287 1 671 . 1 1 58 58 GLU HB2 H 1 1.994 0.004 . 2 . . . . 1546 E HB1 . 17287 1 672 . 1 1 58 58 GLU HB3 H 1 1.810 0.009 . 2 . . . . 1546 E HB2 . 17287 1 673 . 1 1 58 58 GLU HG2 H 1 2.111 0.000 . 2 . . . . 1546 E HG1 . 17287 1 674 . 1 1 58 58 GLU HG3 H 1 2.110 0.000 . 2 . . . . 1546 E HG2 . 17287 1 675 . 1 1 58 58 GLU C C 13 178.216 0.000 . 1 . . . . 1546 E C . 17287 1 676 . 1 1 58 58 GLU CA C 13 58.101 0.067 . 1 . . . . 1546 E CA . 17287 1 677 . 1 1 58 58 GLU CB C 13 30.161 0.038 . 1 . . . . 1546 E CB . 17287 1 678 . 1 1 58 58 GLU CG C 13 36.357 0.000 . 1 . . . . 1546 E CG . 17287 1 679 . 1 1 58 58 GLU N N 15 125.570 0.127 . 1 . . . . 1546 E N . 17287 1 680 . 1 1 59 59 GLY H H 1 9.207 0.006 . 1 . . . . 1547 G HN . 17287 1 681 . 1 1 59 59 GLY HA2 H 1 4.197 0.004 . 2 . . . . 1547 G HA1 . 17287 1 682 . 1 1 59 59 GLY HA3 H 1 3.728 0.008 . 2 . . . . 1547 G HA2 . 17287 1 683 . 1 1 59 59 GLY C C 13 175.707 0.000 . 1 . . . . 1547 G C . 17287 1 684 . 1 1 59 59 GLY CA C 13 46.069 0.064 . 1 . . . . 1547 G CA . 17287 1 685 . 1 1 59 59 GLY N N 15 111.083 0.109 . 1 . . . . 1547 G N . 17287 1 686 . 1 1 60 60 THR H H 1 7.357 0.007 . 1 . . . . 1548 T HN . 17287 1 687 . 1 1 60 60 THR HA H 1 4.290 0.008 . 1 . . . . 1548 T HA . 17287 1 688 . 1 1 60 60 THR HB H 1 4.200 0.004 . 1 . . . . 1548 T HB . 17287 1 689 . 1 1 60 60 THR HG21 H 1 1.136 0.003 . 1 . . . . 1548 T HG21 . 17287 1 690 . 1 1 60 60 THR HG22 H 1 1.136 0.003 . 1 . . . . 1548 T HG22 . 17287 1 691 . 1 1 60 60 THR HG23 H 1 1.136 0.003 . 1 . . . . 1548 T HG23 . 17287 1 692 . 1 1 60 60 THR C C 13 176.618 0.000 . 1 . . . . 1548 T C . 17287 1 693 . 1 1 60 60 THR CA C 13 60.999 0.108 . 1 . . . . 1548 T CA . 17287 1 694 . 1 1 60 60 THR CB C 13 69.738 0.135 . 1 . . . . 1548 T CB . 17287 1 695 . 1 1 60 60 THR CG2 C 13 21.442 0.042 . 1 . . . . 1548 T CG2 . 17287 1 696 . 1 1 60 60 THR N N 15 108.671 0.115 . 1 . . . . 1548 T N . 17287 1 697 . 1 1 61 61 GLY H H 1 7.732 0.007 . 1 . . . . 1549 G HN . 17287 1 698 . 1 1 61 61 GLY HA2 H 1 4.017 0.005 . 2 . . . . 1549 G HA1 . 17287 1 699 . 1 1 61 61 GLY HA3 H 1 3.819 0.005 . 2 . . . . 1549 G HA2 . 17287 1 700 . 1 1 61 61 GLY C C 13 174.155 0.000 . 1 . . . . 1549 G C . 17287 1 701 . 1 1 61 61 GLY CA C 13 45.575 0.080 . 1 . . . . 1549 G CA . 17287 1 702 . 1 1 61 61 GLY N N 15 110.899 0.048 . 1 . . . . 1549 G N . 17287 1 703 . 1 1 62 62 ILE H H 1 7.050 0.006 . 1 . . . . 1550 I HN . 17287 1 704 . 1 1 62 62 ILE HA H 1 3.916 0.003 . 1 . . . . 1550 I HA . 17287 1 705 . 1 1 62 62 ILE HB H 1 1.441 0.010 . 1 . . . . 1550 I HB . 17287 1 706 . 1 1 62 62 ILE HG12 H 1 1.291 0.008 . 2 . . . . 1550 I HG11 . 17287 1 707 . 1 1 62 62 ILE HG13 H 1 1.065 0.004 . 2 . . . . 1550 I HG12 . 17287 1 708 . 1 1 62 62 ILE HG21 H 1 0.250 0.006 . 1 . . . . 1550 I HG21 . 17287 1 709 . 1 1 62 62 ILE HG22 H 1 0.250 0.006 . 1 . . . . 1550 I HG22 . 17287 1 710 . 1 1 62 62 ILE HG23 H 1 0.250 0.006 . 1 . . . . 1550 I HG23 . 17287 1 711 . 1 1 62 62 ILE HD11 H 1 0.631 0.005 . 1 . . . . 1550 I HD11 . 17287 1 712 . 1 1 62 62 ILE HD12 H 1 0.631 0.005 . 1 . . . . 1550 I HD12 . 17287 1 713 . 1 1 62 62 ILE HD13 H 1 0.631 0.005 . 1 . . . . 1550 I HD13 . 17287 1 714 . 1 1 62 62 ILE C C 13 175.962 0.000 . 1 . . . . 1550 I C . 17287 1 715 . 1 1 62 62 ILE CA C 13 61.224 0.057 . 1 . . . . 1550 I CA . 17287 1 716 . 1 1 62 62 ILE CB C 13 37.795 0.056 . 1 . . . . 1550 I CB . 17287 1 717 . 1 1 62 62 ILE CG1 C 13 27.455 0.124 . 1 . . . . 1550 I CG1 . 17287 1 718 . 1 1 62 62 ILE CG2 C 13 15.896 0.071 . 1 . . . . 1550 I CG2 . 17287 1 719 . 1 1 62 62 ILE CD1 C 13 11.442 0.036 . 1 . . . . 1550 I CD1 . 17287 1 720 . 1 1 62 62 ILE N N 15 121.233 0.057 . 1 . . . . 1550 I N . 17287 1 721 . 1 1 63 63 LYS H H 1 8.877 0.005 . 1 . . . . 1551 K HN . 17287 1 722 . 1 1 63 63 LYS HA H 1 4.093 0.007 . 1 . . . . 1551 K HA . 17287 1 723 . 1 1 63 63 LYS HB2 H 1 1.830 0.010 . 2 . . . . 1551 K HB1 . 17287 1 724 . 1 1 63 63 LYS HB3 H 1 1.800 0.005 . 2 . . . . 1551 K HB2 . 17287 1 725 . 1 1 63 63 LYS HG2 H 1 1.499 0.006 . 2 . . . . 1551 K HG1 . 17287 1 726 . 1 1 63 63 LYS HG3 H 1 1.491 0.002 . 2 . . . . 1551 K HG2 . 17287 1 727 . 1 1 63 63 LYS HD2 H 1 1.759 0.010 . 2 . . . . 1551 K HD1 . 17287 1 728 . 1 1 63 63 LYS HD3 H 1 1.667 0.012 . 2 . . . . 1551 K HD2 . 17287 1 729 . 1 1 63 63 LYS HE2 H 1 3.158 0.006 . 2 . . . . 1551 K HE1 . 17287 1 730 . 1 1 63 63 LYS HE3 H 1 3.063 0.005 . 2 . . . . 1551 K HE2 . 17287 1 731 . 1 1 63 63 LYS C C 13 176.058 0.000 . 1 . . . . 1551 K C . 17287 1 732 . 1 1 63 63 LYS CA C 13 55.771 0.114 . 1 . . . . 1551 K CA . 17287 1 733 . 1 1 63 63 LYS CB C 13 31.900 0.013 . 1 . . . . 1551 K CB . 17287 1 734 . 1 1 63 63 LYS CG C 13 24.179 0.006 . 1 . . . . 1551 K CG . 17287 1 735 . 1 1 63 63 LYS CD C 13 28.011 0.066 . 1 . . . . 1551 K CD . 17287 1 736 . 1 1 63 63 LYS CE C 13 41.819 0.076 . 1 . . . . 1551 K CE . 17287 1 737 . 1 1 63 63 LYS N N 15 130.073 0.068 . 1 . . . . 1551 K N . 17287 1 738 . 1 1 64 64 ALA H H 1 8.797 0.007 . 1 . . . . 1552 A HN . 17287 1 739 . 1 1 64 64 ALA HA H 1 4.640 0.005 . 1 . . . . 1552 A HA . 17287 1 740 . 1 1 64 64 ALA HB1 H 1 0.978 0.011 . 1 . . . . 1552 A HB1 . 17287 1 741 . 1 1 64 64 ALA HB2 H 1 0.978 0.011 . 1 . . . . 1552 A HB2 . 17287 1 742 . 1 1 64 64 ALA HB3 H 1 0.978 0.011 . 1 . . . . 1552 A HB3 . 17287 1 743 . 1 1 64 64 ALA C C 13 174.461 0.000 . 1 . . . . 1552 A C . 17287 1 744 . 1 1 64 64 ALA CA C 13 50.382 0.103 . 1 . . . . 1552 A CA . 17287 1 745 . 1 1 64 64 ALA CB C 13 18.236 0.083 . 1 . . . . 1552 A CB . 17287 1 746 . 1 1 64 64 ALA N N 15 126.550 0.054 . 1 . . . . 1552 A N . 17287 1 747 . 1 1 65 65 GLY H H 1 6.293 0.006 . 1 . . . . 1553 G HN . 17287 1 748 . 1 1 65 65 GLY HA2 H 1 4.526 0.004 . 2 . . . . 1553 G HA1 . 17287 1 749 . 1 1 65 65 GLY HA3 H 1 3.115 0.006 . 2 . . . . 1553 G HA2 . 17287 1 750 . 1 1 65 65 GLY C C 13 173.331 0.000 . 1 . . . . 1553 G C . 17287 1 751 . 1 1 65 65 GLY CA C 13 44.018 0.070 . 1 . . . . 1553 G CA . 17287 1 752 . 1 1 65 65 GLY N N 15 102.684 0.085 . 1 . . . . 1553 G N . 17287 1 753 . 1 1 66 66 LYS H H 1 9.076 0.004 . 1 . . . . 1554 K HN . 17287 1 754 . 1 1 66 66 LYS HA H 1 4.660 0.007 . 1 . . . . 1554 K HA . 17287 1 755 . 1 1 66 66 LYS HB2 H 1 1.800 0.006 . 2 . . . . 1554 K HB1 . 17287 1 756 . 1 1 66 66 LYS HB3 H 1 1.747 0.018 . 2 . . . . 1554 K HB2 . 17287 1 757 . 1 1 66 66 LYS HG2 H 1 1.148 0.003 . 2 . . . . 1554 K HG1 . 17287 1 758 . 1 1 66 66 LYS HG3 H 1 1.146 0.000 . 2 . . . . 1554 K HG2 . 17287 1 759 . 1 1 66 66 LYS HD2 H 1 1.626 0.013 . 2 . . . . 1554 K HD1 . 17287 1 760 . 1 1 66 66 LYS HD3 H 1 1.615 0.001 . 2 . . . . 1554 K HD2 . 17287 1 761 . 1 1 66 66 LYS HE2 H 1 3.037 0.000 . 2 . . . . 1554 K HE1 . 17287 1 762 . 1 1 66 66 LYS HE3 H 1 2.936 0.000 . 2 . . . . 1554 K HE2 . 17287 1 763 . 1 1 66 66 LYS C C 13 176.716 0.000 . 1 . . . . 1554 K C . 17287 1 764 . 1 1 66 66 LYS CA C 13 55.907 0.002 . 1 . . . . 1554 K CA . 17287 1 765 . 1 1 66 66 LYS CB C 13 32.242 0.009 . 1 . . . . 1554 K CB . 17287 1 766 . 1 1 66 66 LYS CG C 13 25.263 0.006 . 1 . . . . 1554 K CG . 17287 1 767 . 1 1 66 66 LYS CD C 13 29.158 0.000 . 1 . . . . 1554 K CD . 17287 1 768 . 1 1 66 66 LYS CE C 13 41.234 0.001 . 1 . . . . 1554 K CE . 17287 1 769 . 1 1 66 66 LYS N N 15 126.935 0.040 . 1 . . . . 1554 K N . 17287 1 770 . 1 1 67 67 TRP H H 1 7.161 0.007 . 1 . . . . 1555 W HN . 17287 1 771 . 1 1 67 67 TRP HA H 1 2.669 0.006 . 1 . . . . 1555 W HA . 17287 1 772 . 1 1 67 67 TRP HB2 H 1 2.619 0.000 . 2 . . . . 1555 W HB1 . 17287 1 773 . 1 1 67 67 TRP HB3 H 1 2.048 0.006 . 2 . . . . 1555 W HB2 . 17287 1 774 . 1 1 67 67 TRP HD1 H 1 6.447 0.004 . 1 . . . . 1555 W HD1 . 17287 1 775 . 1 1 67 67 TRP HE1 H 1 9.651 0.000 . 1 . . . . 1555 W HE1 . 17287 1 776 . 1 1 67 67 TRP HE3 H 1 6.588 0.005 . 1 . . . . 1555 W HE3 . 17287 1 777 . 1 1 67 67 TRP C C 13 173.715 0.000 . 1 . . . . 1555 W C . 17287 1 778 . 1 1 67 67 TRP CA C 13 55.856 0.072 . 1 . . . . 1555 W CA . 17287 1 779 . 1 1 67 67 TRP CB C 13 28.457 0.006 . 1 . . . . 1555 W CB . 17287 1 780 . 1 1 67 67 TRP CE3 C 13 117.703 0.000 . 1 . . . . 1555 W CE3 . 17287 1 781 . 1 1 67 67 TRP N N 15 120.919 0.049 . 1 . . . . 1555 W N . 17287 1 782 . 1 1 68 68 ASN H H 1 7.224 0.004 . 1 . . . . 1556 N HN . 17287 1 783 . 1 1 68 68 ASN HA H 1 3.922 0.003 . 1 . . . . 1556 N HA . 17287 1 784 . 1 1 68 68 ASN HB2 H 1 2.808 0.003 . 2 . . . . 1556 N HB1 . 17287 1 785 . 1 1 68 68 ASN HB3 H 1 2.805 0.003 . 2 . . . . 1556 N HB2 . 17287 1 786 . 1 1 68 68 ASN HD21 H 1 6.560 0.003 . 2 . . . . 1556 N HD21 . 17287 1 787 . 1 1 68 68 ASN HD22 H 1 7.238 0.005 . 2 . . . . 1556 N HD22 . 17287 1 788 . 1 1 68 68 ASN C C 13 172.800 0.000 . 1 . . . . 1556 N C . 17287 1 789 . 1 1 68 68 ASN CA C 13 53.117 0.057 . 1 . . . . 1556 N CA . 17287 1 790 . 1 1 68 68 ASN CB C 13 40.145 0.037 . 1 . . . . 1556 N CB . 17287 1 791 . 1 1 68 68 ASN CG C 13 179.394 0.035 . 1 . . . . 1556 N CG . 17287 1 792 . 1 1 68 68 ASN N N 15 113.913 0.057 . 1 . . . . 1556 N N . 17287 1 793 . 1 1 68 68 ASN ND2 N 15 110.830 0.159 . 1 . . . . 1556 N ND2 . 17287 1 794 . 1 1 69 69 GLN H H 1 9.051 0.006 . 1 . . . . 1557 Q HN . 17287 1 795 . 1 1 69 69 GLN HA H 1 5.285 0.006 . 1 . . . . 1557 Q HA . 17287 1 796 . 1 1 69 69 GLN HB2 H 1 2.283 0.009 . 2 . . . . 1557 Q HB1 . 17287 1 797 . 1 1 69 69 GLN HB3 H 1 2.148 0.003 . 2 . . . . 1557 Q HB2 . 17287 1 798 . 1 1 69 69 GLN HG2 H 1 2.432 0.010 . 2 . . . . 1557 Q HG1 . 17287 1 799 . 1 1 69 69 GLN HG3 H 1 2.150 0.010 . 2 . . . . 1557 Q HG2 . 17287 1 800 . 1 1 69 69 GLN HE21 H 1 6.991 0.006 . 2 . . . . 1557 Q HE21 . 17287 1 801 . 1 1 69 69 GLN HE22 H 1 7.643 0.005 . 2 . . . . 1557 Q HE22 . 17287 1 802 . 1 1 69 69 GLN C C 13 175.692 0.000 . 1 . . . . 1557 Q C . 17287 1 803 . 1 1 69 69 GLN CA C 13 53.266 0.073 . 1 . . . . 1557 Q CA . 17287 1 804 . 1 1 69 69 GLN CB C 13 28.860 0.113 . 1 . . . . 1557 Q CB . 17287 1 805 . 1 1 69 69 GLN CG C 13 33.052 0.090 . 1 . . . . 1557 Q CG . 17287 1 806 . 1 1 69 69 GLN CD C 13 179.701 0.000 . 1 . . . . 1557 Q CD . 17287 1 807 . 1 1 69 69 GLN N N 15 116.329 0.098 . 1 . . . . 1557 Q N . 17287 1 808 . 1 1 69 69 GLN NE2 N 15 112.460 0.189 . 1 . . . . 1557 Q NE2 . 17287 1 809 . 1 1 70 70 LYS H H 1 8.376 0.006 . 1 . . . . 1558 K HN . 17287 1 810 . 1 1 70 70 LYS HA H 1 4.479 0.009 . 1 . . . . 1558 K HA . 17287 1 811 . 1 1 70 70 LYS HB2 H 1 1.825 0.003 . 2 . . . . 1558 K HB1 . 17287 1 812 . 1 1 70 70 LYS HB3 H 1 1.649 0.005 . 2 . . . . 1558 K HB2 . 17287 1 813 . 1 1 70 70 LYS HG2 H 1 1.417 0.007 . 2 . . . . 1558 K HG1 . 17287 1 814 . 1 1 70 70 LYS HG3 H 1 1.312 0.004 . 2 . . . . 1558 K HG2 . 17287 1 815 . 1 1 70 70 LYS HD2 H 1 1.650 0.001 . 2 . . . . 1558 K HD1 . 17287 1 816 . 1 1 70 70 LYS HD3 H 1 1.599 0.000 . 2 . . . . 1558 K HD2 . 17287 1 817 . 1 1 70 70 LYS HE2 H 1 2.919 0.000 . 2 . . . . 1558 K HE2 . 17287 1 818 . 1 1 70 70 LYS C C 13 174.365 0.000 . 1 . . . . 1558 K C . 17287 1 819 . 1 1 70 70 LYS CA C 13 55.093 0.161 . 1 . . . . 1558 K CA . 17287 1 820 . 1 1 70 70 LYS CB C 13 30.402 0.102 . 1 . . . . 1558 K CB . 17287 1 821 . 1 1 70 70 LYS CG C 13 24.217 0.018 . 1 . . . . 1558 K CG . 17287 1 822 . 1 1 70 70 LYS CD C 13 28.722 0.002 . 1 . . . . 1558 K CD . 17287 1 823 . 1 1 70 70 LYS N N 15 124.386 0.091 . 1 . . . . 1558 K N . 17287 1 824 . 1 1 71 71 LEU H H 1 8.244 0.010 . 1 . . . . 1559 L HN . 17287 1 825 . 1 1 71 71 LEU HA H 1 4.584 0.010 . 1 . . . . 1559 L HA . 17287 1 826 . 1 1 71 71 LEU HB2 H 1 1.590 0.010 . 2 . . . . 1559 L HB1 . 17287 1 827 . 1 1 71 71 LEU HB3 H 1 0.947 0.012 . 2 . . . . 1559 L HB2 . 17287 1 828 . 1 1 71 71 LEU HG H 1 1.316 0.011 . 1 . . . . 1559 L HG . 17287 1 829 . 1 1 71 71 LEU HD11 H 1 0.484 0.007 . 2 . . . . 1559 L HD11 . 17287 1 830 . 1 1 71 71 LEU HD12 H 1 0.484 0.007 . 2 . . . . 1559 L HD12 . 17287 1 831 . 1 1 71 71 LEU HD13 H 1 0.484 0.007 . 2 . . . . 1559 L HD13 . 17287 1 832 . 1 1 71 71 LEU HD21 H 1 0.582 0.019 . 2 . . . . 1559 L HD21 . 17287 1 833 . 1 1 71 71 LEU HD22 H 1 0.582 0.019 . 2 . . . . 1559 L HD22 . 17287 1 834 . 1 1 71 71 LEU HD23 H 1 0.582 0.019 . 2 . . . . 1559 L HD23 . 17287 1 835 . 1 1 71 71 LEU C C 13 175.904 0.000 . 1 . . . . 1559 L C . 17287 1 836 . 1 1 71 71 LEU CA C 13 54.105 0.121 . 1 . . . . 1559 L CA . 17287 1 837 . 1 1 71 71 LEU CB C 13 44.264 0.144 . 1 . . . . 1559 L CB . 17287 1 838 . 1 1 71 71 LEU CG C 13 25.458 0.002 . 1 . . . . 1559 L CG . 17287 1 839 . 1 1 71 71 LEU CD1 C 13 25.711 0.122 . 2 . . . . 1559 L CD1 . 17287 1 840 . 1 1 71 71 LEU CD2 C 13 24.375 0.106 . 2 . . . . 1559 L CD2 . 17287 1 841 . 1 1 71 71 LEU N N 15 131.073 0.076 . 1 . . . . 1559 L N . 17287 1 842 . 1 1 72 72 SER H H 1 8.855 0.006 . 1 . . . . 1560 S HN . 17287 1 843 . 1 1 72 72 SER HA H 1 5.010 0.005 . 1 . . . . 1560 S HA . 17287 1 844 . 1 1 72 72 SER HB2 H 1 3.761 0.005 . 2 . . . . 1560 S HB1 . 17287 1 845 . 1 1 72 72 SER HB3 H 1 3.731 0.008 . 2 . . . . 1560 S HB2 . 17287 1 846 . 1 1 72 72 SER C C 13 172.310 0.000 . 1 . . . . 1560 S C . 17287 1 847 . 1 1 72 72 SER CA C 13 56.837 0.048 . 1 . . . . 1560 S CA . 17287 1 848 . 1 1 72 72 SER CB C 13 65.340 0.056 . 1 . . . . 1560 S CB . 17287 1 849 . 1 1 72 72 SER N N 15 119.855 0.054 . 1 . . . . 1560 S N . 17287 1 850 . 1 1 73 73 TYR H H 1 8.912 0.006 . 1 . . . . 1561 Y HN . 17287 1 851 . 1 1 73 73 TYR HA H 1 4.828 0.006 . 1 . . . . 1561 Y HA . 17287 1 852 . 1 1 73 73 TYR HB2 H 1 3.070 0.006 . 2 . . . . 1561 Y HB1 . 17287 1 853 . 1 1 73 73 TYR HB3 H 1 2.576 0.006 . 2 . . . . 1561 Y HB2 . 17287 1 854 . 1 1 73 73 TYR HD1 H 1 6.805 0.014 . 3 . . . . 1561 Y HD# . 17287 1 855 . 1 1 73 73 TYR HD2 H 1 6.805 0.014 . 3 . . . . 1561 Y HD# . 17287 1 856 . 1 1 73 73 TYR C C 13 174.537 0.000 . 1 . . . . 1561 Y C . 17287 1 857 . 1 1 73 73 TYR CA C 13 56.988 0.077 . 1 . . . . 1561 Y CA . 17287 1 858 . 1 1 73 73 TYR CB C 13 39.675 0.069 . 1 . . . . 1561 Y CB . 17287 1 859 . 1 1 73 73 TYR CD1 C 13 132.911 0.000 . 3 . . . . 1561 Y CD* . 17287 1 860 . 1 1 73 73 TYR CD2 C 13 132.911 0.000 . 3 . . . . 1561 Y CD* . 17287 1 861 . 1 1 73 73 TYR N N 15 126.218 0.053 . 1 . . . . 1561 Y N . 17287 1 862 . 1 1 74 74 VAL H H 1 8.671 0.004 . 1 . . . . 1562 V HN . 17287 1 863 . 1 1 74 74 VAL HA H 1 4.064 0.003 . 1 . . . . 1562 V HA . 17287 1 864 . 1 1 74 74 VAL HB H 1 1.799 0.005 . 1 . . . . 1562 V HB . 17287 1 865 . 1 1 74 74 VAL HG11 H 1 0.705 0.005 . 2 . . . . 1562 V HG11 . 17287 1 866 . 1 1 74 74 VAL HG12 H 1 0.705 0.005 . 2 . . . . 1562 V HG12 . 17287 1 867 . 1 1 74 74 VAL HG13 H 1 0.705 0.005 . 2 . . . . 1562 V HG13 . 17287 1 868 . 1 1 74 74 VAL HG21 H 1 0.697 0.004 . 2 . . . . 1562 V HG21 . 17287 1 869 . 1 1 74 74 VAL HG22 H 1 0.697 0.004 . 2 . . . . 1562 V HG22 . 17287 1 870 . 1 1 74 74 VAL HG23 H 1 0.697 0.004 . 2 . . . . 1562 V HG23 . 17287 1 871 . 1 1 74 74 VAL C C 13 175.076 0.000 . 1 . . . . 1562 V C . 17287 1 872 . 1 1 74 74 VAL CA C 13 60.169 0.066 . 1 . . . . 1562 V CA . 17287 1 873 . 1 1 74 74 VAL CB C 13 32.827 0.061 . 1 . . . . 1562 V CB . 17287 1 874 . 1 1 74 74 VAL CG1 C 13 19.966 0.053 . 2 . . . . 1562 V CG1 . 17287 1 875 . 1 1 74 74 VAL CG2 C 13 20.022 0.057 . 2 . . . . 1562 V CG2 . 17287 1 876 . 1 1 74 74 VAL N N 15 129.376 0.124 . 1 . . . . 1562 V N . 17287 1 877 . 1 1 75 75 ASP H H 1 8.925 0.004 . 1 . . . . 1563 D HN . 17287 1 878 . 1 1 75 75 ASP HA H 1 4.094 0.006 . 1 . . . . 1563 D HA . 17287 1 879 . 1 1 75 75 ASP HB2 H 1 2.740 0.007 . 2 . . . . 1563 D HB1 . 17287 1 880 . 1 1 75 75 ASP HB3 H 1 2.390 0.005 . 2 . . . . 1563 D HB2 . 17287 1 881 . 1 1 75 75 ASP C C 13 174.193 0.000 . 1 . . . . 1563 D C . 17287 1 882 . 1 1 75 75 ASP CA C 13 55.243 0.054 . 1 . . . . 1563 D CA . 17287 1 883 . 1 1 75 75 ASP CB C 13 39.125 0.092 . 1 . . . . 1563 D CB . 17287 1 884 . 1 1 75 75 ASP N N 15 127.346 0.080 . 1 . . . . 1563 D N . 17287 1 885 . 1 1 76 76 GLN H H 1 6.287 0.009 . 1 . . . . 1564 Q HN . 17287 1 886 . 1 1 76 76 GLN HA H 1 3.363 0.004 . 1 . . . . 1564 Q HA . 17287 1 887 . 1 1 76 76 GLN HB2 H 1 2.468 0.005 . 2 . . . . 1564 Q HB1 . 17287 1 888 . 1 1 76 76 GLN HB3 H 1 2.225 0.011 . 2 . . . . 1564 Q HB2 . 17287 1 889 . 1 1 76 76 GLN HG2 H 1 2.355 0.008 . 2 . . . . 1564 Q HG1 . 17287 1 890 . 1 1 76 76 GLN HG3 H 1 2.216 0.003 . 2 . . . . 1564 Q HG2 . 17287 1 891 . 1 1 76 76 GLN HE21 H 1 6.785 0.012 . 2 . . . . 1564 Q HE21 . 17287 1 892 . 1 1 76 76 GLN HE22 H 1 7.530 0.005 . 2 . . . . 1564 Q HE22 . 17287 1 893 . 1 1 76 76 GLN C C 13 174.371 0.000 . 1 . . . . 1564 Q C . 17287 1 894 . 1 1 76 76 GLN CA C 13 58.120 0.093 . 1 . . . . 1564 Q CA . 17287 1 895 . 1 1 76 76 GLN CB C 13 27.115 0.073 . 1 . . . . 1564 Q CB . 17287 1 896 . 1 1 76 76 GLN CG C 13 34.545 0.099 . 1 . . . . 1564 Q CG . 17287 1 897 . 1 1 76 76 GLN CD C 13 181.482 0.000 . 1 . . . . 1564 Q CD . 17287 1 898 . 1 1 76 76 GLN N N 15 104.577 0.076 . 1 . . . . 1564 Q N . 17287 1 899 . 1 1 76 76 GLN NE2 N 15 113.008 0.152 . 1 . . . . 1564 Q NE2 . 17287 1 900 . 1 1 77 77 VAL H H 1 7.549 0.006 . 1 . . . . 1565 V HN . 17287 1 901 . 1 1 77 77 VAL HA H 1 4.335 0.004 . 1 . . . . 1565 V HA . 17287 1 902 . 1 1 77 77 VAL HB H 1 1.997 0.005 . 1 . . . . 1565 V HB . 17287 1 903 . 1 1 77 77 VAL HG11 H 1 0.813 0.017 . 2 . . . . 1565 V HG11 . 17287 1 904 . 1 1 77 77 VAL HG12 H 1 0.813 0.017 . 2 . . . . 1565 V HG12 . 17287 1 905 . 1 1 77 77 VAL HG13 H 1 0.813 0.017 . 2 . . . . 1565 V HG13 . 17287 1 906 . 1 1 77 77 VAL HG21 H 1 0.792 0.005 . 2 . . . . 1565 V HG21 . 17287 1 907 . 1 1 77 77 VAL HG22 H 1 0.792 0.005 . 2 . . . . 1565 V HG22 . 17287 1 908 . 1 1 77 77 VAL HG23 H 1 0.792 0.005 . 2 . . . . 1565 V HG23 . 17287 1 909 . 1 1 77 77 VAL C C 13 174.280 0.000 . 1 . . . . 1565 V C . 17287 1 910 . 1 1 77 77 VAL CA C 13 60.238 0.056 . 1 . . . . 1565 V CA . 17287 1 911 . 1 1 77 77 VAL CB C 13 33.307 0.065 . 1 . . . . 1565 V CB . 17287 1 912 . 1 1 77 77 VAL CG1 C 13 20.914 0.000 . 2 . . . . 1565 V CG1 . 17287 1 913 . 1 1 77 77 VAL CG2 C 13 20.918 0.068 . 2 . . . . 1565 V CG2 . 17287 1 914 . 1 1 77 77 VAL N N 15 122.165 0.112 . 1 . . . . 1565 V N . 17287 1 915 . 1 1 78 78 LEU H H 1 8.352 0.004 . 1 . . . . 1566 L HN . 17287 1 916 . 1 1 78 78 LEU HA H 1 5.412 0.002 . 1 . . . . 1566 L HA . 17287 1 917 . 1 1 78 78 LEU HB2 H 1 1.715 0.007 . 2 . . . . 1566 L HB1 . 17287 1 918 . 1 1 78 78 LEU HB3 H 1 1.243 0.002 . 2 . . . . 1566 L HB2 . 17287 1 919 . 1 1 78 78 LEU HG H 1 1.277 0.005 . 1 . . . . 1566 L HG . 17287 1 920 . 1 1 78 78 LEU HD11 H 1 0.017 0.004 . 2 . . . . 1566 L HD11 . 17287 1 921 . 1 1 78 78 LEU HD12 H 1 0.017 0.004 . 2 . . . . 1566 L HD12 . 17287 1 922 . 1 1 78 78 LEU HD13 H 1 0.017 0.004 . 2 . . . . 1566 L HD13 . 17287 1 923 . 1 1 78 78 LEU HD21 H 1 0.370 0.004 . 2 . . . . 1566 L HD21 . 17287 1 924 . 1 1 78 78 LEU HD22 H 1 0.370 0.004 . 2 . . . . 1566 L HD22 . 17287 1 925 . 1 1 78 78 LEU HD23 H 1 0.370 0.004 . 2 . . . . 1566 L HD23 . 17287 1 926 . 1 1 78 78 LEU C C 13 177.081 0.000 . 1 . . . . 1566 L C . 17287 1 927 . 1 1 78 78 LEU CA C 13 51.559 0.071 . 1 . . . . 1566 L CA . 17287 1 928 . 1 1 78 78 LEU CB C 13 41.899 0.097 . 1 . . . . 1566 L CB . 17287 1 929 . 1 1 78 78 LEU CG C 13 26.358 0.133 . 1 . . . . 1566 L CG . 17287 1 930 . 1 1 78 78 LEU CD1 C 13 22.370 0.096 . 2 . . . . 1566 L CD1 . 17287 1 931 . 1 1 78 78 LEU CD2 C 13 25.018 0.070 . 2 . . . . 1566 L CD2 . 17287 1 932 . 1 1 78 78 LEU N N 15 124.081 0.112 . 1 . . . . 1566 L N . 17287 1 933 . 1 1 79 79 GLN H H 1 9.041 0.004 . 1 . . . . 1567 Q HN . 17287 1 934 . 1 1 79 79 GLN HA H 1 5.987 0.005 . 1 . . . . 1567 Q HA . 17287 1 935 . 1 1 79 79 GLN HB2 H 1 1.776 0.007 . 2 . . . . 1567 Q HB1 . 17287 1 936 . 1 1 79 79 GLN HB3 H 1 1.653 0.008 . 2 . . . . 1567 Q HB2 . 17287 1 937 . 1 1 79 79 GLN HG2 H 1 2.070 0.012 . 2 . . . . 1567 Q HG1 . 17287 1 938 . 1 1 79 79 GLN HG3 H 1 2.005 0.010 . 2 . . . . 1567 Q HG2 . 17287 1 939 . 1 1 79 79 GLN HE21 H 1 6.610 0.006 . 2 . . . . 1567 Q HE21 . 17287 1 940 . 1 1 79 79 GLN HE22 H 1 6.895 0.008 . 2 . . . . 1567 Q HE22 . 17287 1 941 . 1 1 79 79 GLN C C 13 175.564 0.000 . 1 . . . . 1567 Q C . 17287 1 942 . 1 1 79 79 GLN CA C 13 54.499 0.067 . 1 . . . . 1567 Q CA . 17287 1 943 . 1 1 79 79 GLN CB C 13 35.000 0.128 . 1 . . . . 1567 Q CB . 17287 1 944 . 1 1 79 79 GLN CG C 13 35.120 0.113 . 1 . . . . 1567 Q CG . 17287 1 945 . 1 1 79 79 GLN CD C 13 180.035 0.000 . 1 . . . . 1567 Q CD . 17287 1 946 . 1 1 79 79 GLN N N 15 122.399 0.098 . 1 . . . . 1567 Q N . 17287 1 947 . 1 1 79 79 GLN NE2 N 15 110.308 0.123 . 1 . . . . 1567 Q NE2 . 17287 1 948 . 1 1 80 80 LEU H H 1 8.784 0.005 . 1 . . . . 1568 L HN . 17287 1 949 . 1 1 80 80 LEU HA H 1 4.802 0.005 . 1 . . . . 1568 L HA . 17287 1 950 . 1 1 80 80 LEU HB2 H 1 1.454 0.010 . 2 . . . . 1568 L HB1 . 17287 1 951 . 1 1 80 80 LEU HB3 H 1 1.369 0.011 . 2 . . . . 1568 L HB2 . 17287 1 952 . 1 1 80 80 LEU HG H 1 1.639 0.008 . 1 . . . . 1568 L HG . 17287 1 953 . 1 1 80 80 LEU HD11 H 1 0.984 0.005 . 2 . . . . 1568 L HD11 . 17287 1 954 . 1 1 80 80 LEU HD12 H 1 0.984 0.005 . 2 . . . . 1568 L HD12 . 17287 1 955 . 1 1 80 80 LEU HD13 H 1 0.984 0.005 . 2 . . . . 1568 L HD13 . 17287 1 956 . 1 1 80 80 LEU HD21 H 1 1.186 0.008 . 2 . . . . 1568 L HD21 . 17287 1 957 . 1 1 80 80 LEU HD22 H 1 1.186 0.008 . 2 . . . . 1568 L HD22 . 17287 1 958 . 1 1 80 80 LEU HD23 H 1 1.186 0.008 . 2 . . . . 1568 L HD23 . 17287 1 959 . 1 1 80 80 LEU C C 13 174.859 0.000 . 1 . . . . 1568 L C . 17287 1 960 . 1 1 80 80 LEU CA C 13 53.021 0.040 . 1 . . . . 1568 L CA . 17287 1 961 . 1 1 80 80 LEU CB C 13 46.953 0.072 . 1 . . . . 1568 L CB . 17287 1 962 . 1 1 80 80 LEU CG C 13 25.472 0.157 . 1 . . . . 1568 L CG . 17287 1 963 . 1 1 80 80 LEU CD1 C 13 23.224 0.063 . 2 . . . . 1568 L CD1 . 17287 1 964 . 1 1 80 80 LEU CD2 C 13 25.787 0.050 . 2 . . . . 1568 L CD2 . 17287 1 965 . 1 1 80 80 LEU N N 15 126.647 0.063 . 1 . . . . 1568 L N . 17287 1 966 . 1 1 81 81 VAL H H 1 9.613 0.004 . 1 . . . . 1569 V HN . 17287 1 967 . 1 1 81 81 VAL HA H 1 4.824 0.007 . 1 . . . . 1569 V HA . 17287 1 968 . 1 1 81 81 VAL HB H 1 2.029 0.004 . 1 . . . . 1569 V HB . 17287 1 969 . 1 1 81 81 VAL HG11 H 1 0.796 0.003 . 2 . . . . 1569 V HG11 . 17287 1 970 . 1 1 81 81 VAL HG12 H 1 0.796 0.003 . 2 . . . . 1569 V HG12 . 17287 1 971 . 1 1 81 81 VAL HG13 H 1 0.796 0.003 . 2 . . . . 1569 V HG13 . 17287 1 972 . 1 1 81 81 VAL HG21 H 1 0.883 0.006 . 2 . . . . 1569 V HG21 . 17287 1 973 . 1 1 81 81 VAL HG22 H 1 0.883 0.006 . 2 . . . . 1569 V HG22 . 17287 1 974 . 1 1 81 81 VAL HG23 H 1 0.883 0.006 . 2 . . . . 1569 V HG23 . 17287 1 975 . 1 1 81 81 VAL C C 13 175.843 0.000 . 1 . . . . 1569 V C . 17287 1 976 . 1 1 81 81 VAL CA C 13 60.840 0.001 . 1 . . . . 1569 V CA . 17287 1 977 . 1 1 81 81 VAL CB C 13 33.875 0.027 . 1 . . . . 1569 V CB . 17287 1 978 . 1 1 81 81 VAL CG1 C 13 20.710 0.008 . 2 . . . . 1569 V CG1 . 17287 1 979 . 1 1 81 81 VAL N N 15 122.678 0.120 . 1 . . . . 1569 V N . 17287 1 980 . 1 1 82 82 TYR H H 1 9.500 0.004 . 1 . . . . 1570 Y HN . 17287 1 981 . 1 1 82 82 TYR HA H 1 5.202 0.003 . 1 . . . . 1570 Y HA . 17287 1 982 . 1 1 82 82 TYR HB2 H 1 3.083 0.003 . 2 . . . . 1570 Y HB1 . 17287 1 983 . 1 1 82 82 TYR HB3 H 1 2.802 0.007 . 2 . . . . 1570 Y HB2 . 17287 1 984 . 1 1 82 82 TYR HD1 H 1 6.752 0.007 . 3 . . . . 1570 Y HD# . 17287 1 985 . 1 1 82 82 TYR HD2 H 1 6.752 0.007 . 3 . . . . 1570 Y HD# . 17287 1 986 . 1 1 82 82 TYR HH H 1 9.644 0.005 . 1 . . . . 1570 Y HH . 17287 1 987 . 1 1 82 82 TYR C C 13 174.847 0.000 . 1 . . . . 1570 Y C . 17287 1 988 . 1 1 82 82 TYR CA C 13 51.731 0.082 . 1 . . . . 1570 Y CA . 17287 1 989 . 1 1 82 82 TYR CB C 13 37.441 0.085 . 1 . . . . 1570 Y CB . 17287 1 990 . 1 1 82 82 TYR CD1 C 13 132.995 0.000 . 3 . . . . 1570 Y CD* . 17287 1 991 . 1 1 82 82 TYR CD2 C 13 132.995 0.000 . 3 . . . . 1570 Y CD* . 17287 1 992 . 1 1 82 82 TYR N N 15 130.099 0.120 . 1 . . . . 1570 Y N . 17287 1 993 . 1 1 83 83 GLU H H 1 8.795 0.005 . 1 . . . . 1571 E HN . 17287 1 994 . 1 1 83 83 GLU HA H 1 4.891 0.008 . 1 . . . . 1571 E HA . 17287 1 995 . 1 1 83 83 GLU HB2 H 1 2.071 0.007 . 2 . . . . 1571 E HB1 . 17287 1 996 . 1 1 83 83 GLU HB3 H 1 1.915 0.017 . 2 . . . . 1571 E HB2 . 17287 1 997 . 1 1 83 83 GLU HG2 H 1 2.217 0.005 . 2 . . . . 1571 E HG1 . 17287 1 998 . 1 1 83 83 GLU HG3 H 1 2.079 0.003 . 2 . . . . 1571 E HG2 . 17287 1 999 . 1 1 83 83 GLU C C 13 176.417 0.000 . 1 . . . . 1571 E C . 17287 1 1000 . 1 1 83 83 GLU CA C 13 54.437 0.134 . 1 . . . . 1571 E CA . 17287 1 1001 . 1 1 83 83 GLU CB C 13 32.902 0.109 . 1 . . . . 1571 E CB . 17287 1 1002 . 1 1 83 83 GLU CG C 13 36.853 0.128 . 1 . . . . 1571 E CG . 17287 1 1003 . 1 1 83 83 GLU N N 15 123.035 0.061 . 1 . . . . 1571 E N . 17287 1 1004 . 1 1 84 84 ASP H H 1 9.434 0.005 . 1 . . . . 1572 D HN . 17287 1 1005 . 1 1 84 84 ASP HA H 1 4.167 0.009 . 1 . . . . 1572 D HA . 17287 1 1006 . 1 1 84 84 ASP HB2 H 1 2.932 0.003 . 2 . . . . 1572 D HB1 . 17287 1 1007 . 1 1 84 84 ASP HB3 H 1 2.665 0.007 . 2 . . . . 1572 D HB2 . 17287 1 1008 . 1 1 84 84 ASP C C 13 176.332 0.000 . 1 . . . . 1572 D C . 17287 1 1009 . 1 1 84 84 ASP CA C 13 55.626 0.081 . 1 . . . . 1572 D CA . 17287 1 1010 . 1 1 84 84 ASP CB C 13 38.200 0.068 . 1 . . . . 1572 D CB . 17287 1 1011 . 1 1 84 84 ASP N N 15 116.412 0.134 . 1 . . . . 1572 D N . 17287 1 1012 . 1 1 85 85 GLY H H 1 8.399 0.006 . 1 . . . . 1573 G HN . 17287 1 1013 . 1 1 85 85 GLY HA2 H 1 4.110 0.006 . 2 . . . . 1573 G HA1 . 17287 1 1014 . 1 1 85 85 GLY HA3 H 1 3.446 0.008 . 2 . . . . 1573 G HA2 . 17287 1 1015 . 1 1 85 85 GLY C C 13 171.651 0.000 . 1 . . . . 1573 G C . 17287 1 1016 . 1 1 85 85 GLY CA C 13 43.875 0.120 . 1 . . . . 1573 G CA . 17287 1 1017 . 1 1 85 85 GLY N N 15 104.457 0.100 . 1 . . . . 1573 G N . 17287 1 1018 . 1 1 86 86 ASP H H 1 8.132 0.006 . 1 . . . . 1574 D HN . 17287 1 1019 . 1 1 86 86 ASP HA H 1 4.901 0.001 . 1 . . . . 1574 D HA . 17287 1 1020 . 1 1 86 86 ASP HB2 H 1 2.850 0.008 . 2 . . . . 1574 D HB1 . 17287 1 1021 . 1 1 86 86 ASP HB3 H 1 2.596 0.000 . 2 . . . . 1574 D HB2 . 17287 1 1022 . 1 1 86 86 ASP CA C 13 53.798 0.159 . 1 . . . . 1574 D CA . 17287 1 1023 . 1 1 86 86 ASP CB C 13 39.860 0.044 . 1 . . . . 1574 D CB . 17287 1 1024 . 1 1 86 86 ASP N N 15 119.917 0.121 . 1 . . . . 1574 D N . 17287 1 1025 . 1 1 87 87 PRO HA H 1 4.497 0.007 . 1 . . . . 1575 P HA . 17287 1 1026 . 1 1 87 87 PRO HB2 H 1 2.387 0.004 . 2 . . . . 1575 P HB1 . 17287 1 1027 . 1 1 87 87 PRO HB3 H 1 1.740 0.011 . 2 . . . . 1575 P HB2 . 17287 1 1028 . 1 1 87 87 PRO HG2 H 1 2.124 0.011 . 2 . . . . 1575 P HG1 . 17287 1 1029 . 1 1 87 87 PRO HG3 H 1 1.970 0.008 . 2 . . . . 1575 P HG2 . 17287 1 1030 . 1 1 87 87 PRO HD2 H 1 4.499 0.009 . 2 . . . . 1575 P HD1 . 17287 1 1031 . 1 1 87 87 PRO HD3 H 1 3.845 0.012 . 2 . . . . 1575 P HD2 . 17287 1 1032 . 1 1 87 87 PRO C C 13 175.818 0.000 . 1 . . . . 1575 P C . 17287 1 1033 . 1 1 87 87 PRO CA C 13 63.097 0.104 . 1 . . . . 1575 P CA . 17287 1 1034 . 1 1 87 87 PRO CB C 13 32.105 0.073 . 1 . . . . 1575 P CB . 17287 1 1035 . 1 1 87 87 PRO CG C 13 27.677 0.184 . 1 . . . . 1575 P CG . 17287 1 1036 . 1 1 87 87 PRO CD C 13 50.749 0.047 . 1 . . . . 1575 P CD . 17287 1 1037 . 1 1 88 88 CYS H H 1 8.201 0.005 . 1 . . . . 1576 C HN . 17287 1 1038 . 1 1 88 88 CYS HA H 1 4.847 0.009 . 1 . . . . 1576 C HA . 17287 1 1039 . 1 1 88 88 CYS HB2 H 1 3.201 0.007 . 2 . . . . 1576 C HB1 . 17287 1 1040 . 1 1 88 88 CYS HB3 H 1 2.034 0.007 . 2 . . . . 1576 C HB2 . 17287 1 1041 . 1 1 88 88 CYS CA C 13 50.831 0.026 . 1 . . . . 1576 C CA . 17287 1 1042 . 1 1 88 88 CYS CB C 13 37.657 0.083 . 1 . . . . 1576 C CB . 17287 1 1043 . 1 1 88 88 CYS N N 15 123.049 0.046 . 1 . . . . 1576 C N . 17287 1 1044 . 1 1 89 89 PRO HA H 1 4.051 0.004 . 1 . . . . 1577 P HA . 17287 1 1045 . 1 1 89 89 PRO HB2 H 1 2.264 0.011 . 2 . . . . 1577 P HB1 . 17287 1 1046 . 1 1 89 89 PRO HB3 H 1 1.792 0.006 . 2 . . . . 1577 P HB2 . 17287 1 1047 . 1 1 89 89 PRO HG2 H 1 2.111 0.003 . 2 . . . . 1577 P HG1 . 17287 1 1048 . 1 1 89 89 PRO HG3 H 1 1.985 0.006 . 2 . . . . 1577 P HG2 . 17287 1 1049 . 1 1 89 89 PRO HD2 H 1 3.849 0.000 . 2 . . . . 1577 P HD1 . 17287 1 1050 . 1 1 89 89 PRO HD3 H 1 3.840 0.005 . 2 . . . . 1577 P HD2 . 17287 1 1051 . 1 1 89 89 PRO C C 13 177.454 0.000 . 1 . . . . 1577 P C . 17287 1 1052 . 1 1 89 89 PRO CA C 13 65.080 0.087 . 1 . . . . 1577 P CA . 17287 1 1053 . 1 1 89 89 PRO CB C 13 31.289 0.039 . 1 . . . . 1577 P CB . 17287 1 1054 . 1 1 90 90 ALA H H 1 6.849 0.006 . 1 . . . . 1578 A HN . 17287 1 1055 . 1 1 90 90 ALA HA H 1 4.048 0.004 . 1 . . . . 1578 A HA . 17287 1 1056 . 1 1 90 90 ALA HB1 H 1 1.348 0.002 . 1 . . . . 1578 A HB1 . 17287 1 1057 . 1 1 90 90 ALA HB2 H 1 1.348 0.002 . 1 . . . . 1578 A HB2 . 17287 1 1058 . 1 1 90 90 ALA HB3 H 1 1.348 0.002 . 1 . . . . 1578 A HB3 . 17287 1 1059 . 1 1 90 90 ALA C C 13 178.166 0.000 . 1 . . . . 1578 A C . 17287 1 1060 . 1 1 90 90 ALA CA C 13 52.730 0.059 . 1 . . . . 1578 A CA . 17287 1 1061 . 1 1 90 90 ALA CB C 13 19.484 0.060 . 1 . . . . 1578 A CB . 17287 1 1062 . 1 1 90 90 ALA N N 15 116.738 0.121 . 1 . . . . 1578 A N . 17287 1 1063 . 1 1 91 91 ASN H H 1 7.283 0.006 . 1 . . . . 1579 N HN . 17287 1 1064 . 1 1 91 91 ASN HA H 1 4.365 0.006 . 1 . . . . 1579 N HA . 17287 1 1065 . 1 1 91 91 ASN HB2 H 1 2.814 0.004 . 2 . . . . 1579 N HB1 . 17287 1 1066 . 1 1 91 91 ASN HB3 H 1 2.482 0.008 . 2 . . . . 1579 N HB2 . 17287 1 1067 . 1 1 91 91 ASN HD21 H 1 6.974 0.008 . 2 . . . . 1579 N HD21 . 17287 1 1068 . 1 1 91 91 ASN HD22 H 1 7.588 0.004 . 2 . . . . 1579 N HD22 . 17287 1 1069 . 1 1 91 91 ASN C C 13 174.523 0.000 . 1 . . . . 1579 N C . 17287 1 1070 . 1 1 91 91 ASN CA C 13 52.738 0.074 . 1 . . . . 1579 N CA . 17287 1 1071 . 1 1 91 91 ASN CB C 13 37.454 0.145 . 1 . . . . 1579 N CB . 17287 1 1072 . 1 1 91 91 ASN CG C 13 177.798 0.016 . 1 . . . . 1579 N CG . 17287 1 1073 . 1 1 91 91 ASN N N 15 114.568 0.097 . 1 . . . . 1579 N N . 17287 1 1074 . 1 1 91 91 ASN ND2 N 15 111.422 0.149 . 1 . . . . 1579 N ND2 . 17287 1 1075 . 1 1 92 92 LEU H H 1 8.541 0.005 . 1 . . . . 1580 L HN . 17287 1 1076 . 1 1 92 92 LEU HA H 1 4.225 0.008 . 1 . . . . 1580 L HA . 17287 1 1077 . 1 1 92 92 LEU HB2 H 1 1.506 0.004 . 2 . . . . 1580 L HB1 . 17287 1 1078 . 1 1 92 92 LEU HB3 H 1 1.502 0.002 . 2 . . . . 1580 L HB2 . 17287 1 1079 . 1 1 92 92 LEU HG H 1 1.589 0.003 . 1 . . . . 1580 L HG . 17287 1 1080 . 1 1 92 92 LEU HD11 H 1 0.726 0.003 . 2 . . . . 1580 L HD11 . 17287 1 1081 . 1 1 92 92 LEU HD12 H 1 0.726 0.003 . 2 . . . . 1580 L HD12 . 17287 1 1082 . 1 1 92 92 LEU HD13 H 1 0.726 0.003 . 2 . . . . 1580 L HD13 . 17287 1 1083 . 1 1 92 92 LEU HD21 H 1 0.800 0.006 . 2 . . . . 1580 L HD21 . 17287 1 1084 . 1 1 92 92 LEU HD22 H 1 0.800 0.006 . 2 . . . . 1580 L HD22 . 17287 1 1085 . 1 1 92 92 LEU HD23 H 1 0.800 0.006 . 2 . . . . 1580 L HD23 . 17287 1 1086 . 1 1 92 92 LEU C C 13 177.983 0.000 . 1 . . . . 1580 L C . 17287 1 1087 . 1 1 92 92 LEU CA C 13 56.432 0.044 . 1 . . . . 1580 L CA . 17287 1 1088 . 1 1 92 92 LEU CB C 13 41.075 0.119 . 1 . . . . 1580 L CB . 17287 1 1089 . 1 1 92 92 LEU CG C 13 26.638 0.071 . 1 . . . . 1580 L CG . 17287 1 1090 . 1 1 92 92 LEU CD1 C 13 23.372 0.036 . 2 . . . . 1580 L CD1 . 17287 1 1091 . 1 1 92 92 LEU CD2 C 13 24.615 0.076 . 2 . . . . 1580 L CD2 . 17287 1 1092 . 1 1 92 92 LEU N N 15 125.239 0.019 . 1 . . . . 1580 L N . 17287 1 1093 . 1 1 93 93 HIS H H 1 8.075 0.005 . 1 . . . . 1581 H HN . 17287 1 1094 . 1 1 93 93 HIS HA H 1 4.536 0.003 . 1 . . . . 1581 H HA . 17287 1 1095 . 1 1 93 93 HIS HB2 H 1 3.230 0.007 . 2 . . . . 1581 H HB1 . 17287 1 1096 . 1 1 93 93 HIS HB3 H 1 3.044 0.005 . 2 . . . . 1581 H HB2 . 17287 1 1097 . 1 1 93 93 HIS HD2 H 1 7.176 0.000 . 1 . . . . 1581 H HD2 . 17287 1 1098 . 1 1 93 93 HIS C C 13 174.950 0.000 . 1 . . . . 1581 H C . 17287 1 1099 . 1 1 93 93 HIS CA C 13 56.351 0.043 . 1 . . . . 1581 H CA . 17287 1 1100 . 1 1 93 93 HIS CB C 13 28.357 0.047 . 1 . . . . 1581 H CB . 17287 1 1101 . 1 1 93 93 HIS N N 15 116.858 0.053 . 1 . . . . 1581 H N . 17287 1 1102 . 1 1 94 94 LEU H H 1 8.457 0.003 . 1 . . . . 1582 L HN . 17287 1 1103 . 1 1 94 94 LEU HA H 1 4.646 0.006 . 1 . . . . 1582 L HA . 17287 1 1104 . 1 1 94 94 LEU HB2 H 1 1.612 0.009 . 2 . . . . 1582 L HB1 . 17287 1 1105 . 1 1 94 94 LEU HB3 H 1 1.538 0.013 . 2 . . . . 1582 L HB2 . 17287 1 1106 . 1 1 94 94 LEU HG H 1 1.283 0.007 . 1 . . . . 1582 L HG . 17287 1 1107 . 1 1 94 94 LEU HD11 H 1 0.771 0.007 . 2 . . . . 1582 L HD11 . 17287 1 1108 . 1 1 94 94 LEU HD12 H 1 0.771 0.007 . 2 . . . . 1582 L HD12 . 17287 1 1109 . 1 1 94 94 LEU HD13 H 1 0.771 0.007 . 2 . . . . 1582 L HD13 . 17287 1 1110 . 1 1 94 94 LEU HD21 H 1 0.812 0.008 . 2 . . . . 1582 L HD21 . 17287 1 1111 . 1 1 94 94 LEU HD22 H 1 0.812 0.008 . 2 . . . . 1582 L HD22 . 17287 1 1112 . 1 1 94 94 LEU HD23 H 1 0.812 0.008 . 2 . . . . 1582 L HD23 . 17287 1 1113 . 1 1 94 94 LEU C C 13 175.730 0.000 . 1 . . . . 1582 L C . 17287 1 1114 . 1 1 94 94 LEU CA C 13 52.579 0.145 . 1 . . . . 1582 L CA . 17287 1 1115 . 1 1 94 94 LEU CB C 13 42.885 0.119 . 1 . . . . 1582 L CB . 17287 1 1116 . 1 1 94 94 LEU CG C 13 25.597 0.010 . 1 . . . . 1582 L CG . 17287 1 1117 . 1 1 94 94 LEU CD1 C 13 21.448 0.050 . 2 . . . . 1582 L CD1 . 17287 1 1118 . 1 1 94 94 LEU CD2 C 13 25.826 0.117 . 2 . . . . 1582 L CD2 . 17287 1 1119 . 1 1 94 94 LEU N N 15 121.361 0.041 . 1 . . . . 1582 L N . 17287 1 1120 . 1 1 95 95 LYS H H 1 8.117 0.006 . 1 . . . . 1583 K HN . 17287 1 1121 . 1 1 95 95 LYS HA H 1 4.808 0.009 . 1 . . . . 1583 K HA . 17287 1 1122 . 1 1 95 95 LYS HB2 H 1 1.930 0.010 . 2 . . . . 1583 K HB1 . 17287 1 1123 . 1 1 95 95 LYS HB3 H 1 1.925 0.000 . 2 . . . . 1583 K HB2 . 17287 1 1124 . 1 1 95 95 LYS HG2 H 1 1.325 0.008 . 2 . . . . 1583 K HG1 . 17287 1 1125 . 1 1 95 95 LYS HG3 H 1 1.160 0.007 . 2 . . . . 1583 K HG2 . 17287 1 1126 . 1 1 95 95 LYS HD2 H 1 1.744 0.010 . 2 . . . . 1583 K HD1 . 17287 1 1127 . 1 1 95 95 LYS HD3 H 1 1.609 0.009 . 2 . . . . 1583 K HD2 . 17287 1 1128 . 1 1 95 95 LYS HE2 H 1 2.928 0.005 . 2 . . . . 1583 K HE1 . 17287 1 1129 . 1 1 95 95 LYS HE3 H 1 2.793 0.000 . 2 . . . . 1583 K HE2 . 17287 1 1130 . 1 1 95 95 LYS C C 13 176.450 0.000 . 1 . . . . 1583 K C . 17287 1 1131 . 1 1 95 95 LYS CA C 13 53.609 0.000 . 1 . . . . 1583 K CA . 17287 1 1132 . 1 1 95 95 LYS CB C 13 35.356 0.008 . 1 . . . . 1583 K CB . 17287 1 1133 . 1 1 95 95 LYS CG C 13 25.517 0.098 . 1 . . . . 1583 K CG . 17287 1 1134 . 1 1 95 95 LYS CD C 13 28.526 0.071 . 1 . . . . 1583 K CD . 17287 1 1135 . 1 1 95 95 LYS CE C 13 41.993 0.102 . 1 . . . . 1583 K CE . 17287 1 1136 . 1 1 95 95 LYS N N 15 120.616 0.098 . 1 . . . . 1583 K N . 17287 1 1137 . 1 1 96 96 TYR H H 1 9.166 0.006 . 1 . . . . 1584 Y HN . 17287 1 1138 . 1 1 96 96 TYR HA H 1 4.821 0.004 . 1 . . . . 1584 Y HA . 17287 1 1139 . 1 1 96 96 TYR HB2 H 1 3.221 0.007 . 2 . . . . 1584 Y HB1 . 17287 1 1140 . 1 1 96 96 TYR HB3 H 1 2.794 0.004 . 2 . . . . 1584 Y HB2 . 17287 1 1141 . 1 1 96 96 TYR HD1 H 1 7.111 0.010 . 3 . . . . 1584 Y HD# . 17287 1 1142 . 1 1 96 96 TYR HD2 H 1 7.111 0.010 . 3 . . . . 1584 Y HD# . 17287 1 1143 . 1 1 96 96 TYR HE1 H 1 6.663 0.004 . 3 . . . . 1584 Y HE# . 17287 1 1144 . 1 1 96 96 TYR HE2 H 1 6.663 0.004 . 3 . . . . 1584 Y HE# . 17287 1 1145 . 1 1 96 96 TYR C C 13 175.533 0.000 . 1 . . . . 1584 Y C . 17287 1 1146 . 1 1 96 96 TYR CA C 13 58.982 0.038 . 1 . . . . 1584 Y CA . 17287 1 1147 . 1 1 96 96 TYR CB C 13 41.703 0.050 . 1 . . . . 1584 Y CB . 17287 1 1148 . 1 1 96 96 TYR CD1 C 13 132.797 0.041 . 3 . . . . 1584 Y CD* . 17287 1 1149 . 1 1 96 96 TYR CD2 C 13 132.797 0.041 . 3 . . . . 1584 Y CD* . 17287 1 1150 . 1 1 96 96 TYR CE1 C 13 117.593 0.000 . 3 . . . . 1584 Y CE* . 17287 1 1151 . 1 1 96 96 TYR CE2 C 13 117.593 0.000 . 3 . . . . 1584 Y CE* . 17287 1 1152 . 1 1 96 96 TYR N N 15 120.878 0.111 . 1 . . . . 1584 Y N . 17287 1 1153 . 1 1 97 97 LYS H H 1 8.336 0.007 . 1 . . . . 1585 K HN . 17287 1 1154 . 1 1 97 97 LYS HA H 1 5.277 0.004 . 1 . . . . 1585 K HA . 17287 1 1155 . 1 1 97 97 LYS HB2 H 1 1.859 0.004 . 2 . . . . 1585 K HB1 . 17287 1 1156 . 1 1 97 97 LYS HB3 H 1 1.850 0.004 . 2 . . . . 1585 K HB2 . 17287 1 1157 . 1 1 97 97 LYS HG2 H 1 1.418 0.000 . 2 . . . . 1585 K HG1 . 17287 1 1158 . 1 1 97 97 LYS HG3 H 1 1.195 0.011 . 2 . . . . 1585 K HG2 . 17287 1 1159 . 1 1 97 97 LYS HD2 H 1 1.587 0.000 . 2 . . . . 1585 K HD1 . 17287 1 1160 . 1 1 97 97 LYS HD3 H 1 1.531 0.031 . 2 . . . . 1585 K HD2 . 17287 1 1161 . 1 1 97 97 LYS HE2 H 1 2.806 0.003 . 2 . . . . 1585 K HE1 . 17287 1 1162 . 1 1 97 97 LYS HE3 H 1 2.792 0.003 . 2 . . . . 1585 K HE2 . 17287 1 1163 . 1 1 97 97 LYS C C 13 175.050 0.000 . 1 . . . . 1585 K C . 17287 1 1164 . 1 1 97 97 LYS CA C 13 53.753 0.063 . 1 . . . . 1585 K CA . 17287 1 1165 . 1 1 97 97 LYS CB C 13 36.653 0.085 . 1 . . . . 1585 K CB . 17287 1 1166 . 1 1 97 97 LYS CG C 13 23.746 0.109 . 1 . . . . 1585 K CG . 17287 1 1167 . 1 1 97 97 LYS CD C 13 29.261 0.124 . 1 . . . . 1585 K CD . 17287 1 1168 . 1 1 97 97 LYS CE C 13 41.561 0.110 . 1 . . . . 1585 K CE . 17287 1 1169 . 1 1 97 97 LYS N N 15 117.581 0.127 . 1 . . . . 1585 K N . 17287 1 1170 . 1 1 98 98 SER H H 1 9.118 0.006 . 1 . . . . 1586 S HN . 17287 1 1171 . 1 1 98 98 SER HA H 1 5.372 0.010 . 1 . . . . 1586 S HA . 17287 1 1172 . 1 1 98 98 SER HB2 H 1 3.663 0.004 . 2 . . . . 1586 S HB1 . 17287 1 1173 . 1 1 98 98 SER HB3 H 1 3.548 0.011 . 2 . . . . 1586 S HB2 . 17287 1 1174 . 1 1 98 98 SER C C 13 171.813 0.000 . 1 . . . . 1586 S C . 17287 1 1175 . 1 1 98 98 SER CA C 13 58.063 0.105 . 1 . . . . 1586 S CA . 17287 1 1176 . 1 1 98 98 SER CB C 13 66.164 0.067 . 1 . . . . 1586 S CB . 17287 1 1177 . 1 1 98 98 SER N N 15 117.769 0.088 . 1 . . . . 1586 S N . 17287 1 1178 . 1 1 99 99 VAL H H 1 9.252 0.007 . 1 . . . . 1587 V HN . 17287 1 1179 . 1 1 99 99 VAL HA H 1 4.442 0.010 . 1 . . . . 1587 V HA . 17287 1 1180 . 1 1 99 99 VAL HB H 1 1.957 0.009 . 1 . . . . 1587 V HB . 17287 1 1181 . 1 1 99 99 VAL HG11 H 1 0.625 0.005 . 2 . . . . 1587 V HG11 . 17287 1 1182 . 1 1 99 99 VAL HG12 H 1 0.625 0.005 . 2 . . . . 1587 V HG12 . 17287 1 1183 . 1 1 99 99 VAL HG13 H 1 0.625 0.005 . 2 . . . . 1587 V HG13 . 17287 1 1184 . 1 1 99 99 VAL HG21 H 1 0.851 0.003 . 2 . . . . 1587 V HG21 . 17287 1 1185 . 1 1 99 99 VAL HG22 H 1 0.851 0.003 . 2 . . . . 1587 V HG22 . 17287 1 1186 . 1 1 99 99 VAL HG23 H 1 0.851 0.003 . 2 . . . . 1587 V HG23 . 17287 1 1187 . 1 1 99 99 VAL C C 13 175.060 0.000 . 1 . . . . 1587 V C . 17287 1 1188 . 1 1 99 99 VAL CA C 13 60.842 0.083 . 1 . . . . 1587 V CA . 17287 1 1189 . 1 1 99 99 VAL CB C 13 32.595 0.026 . 1 . . . . 1587 V CB . 17287 1 1190 . 1 1 99 99 VAL CG1 C 13 20.022 0.078 . 2 . . . . 1587 V CG1 . 17287 1 1191 . 1 1 99 99 VAL CG2 C 13 20.243 0.049 . 2 . . . . 1587 V CG2 . 17287 1 1192 . 1 1 99 99 VAL N N 15 126.840 0.081 . 1 . . . . 1587 V N . 17287 1 1193 . 1 1 100 100 ILE H H 1 9.405 0.005 . 1 . . . . 1588 I HN . 17287 1 1194 . 1 1 100 100 ILE HA H 1 4.316 0.006 . 1 . . . . 1588 I HA . 17287 1 1195 . 1 1 100 100 ILE HB H 1 1.525 0.009 . 1 . . . . 1588 I HB . 17287 1 1196 . 1 1 100 100 ILE HG12 H 1 1.064 0.007 . 2 . . . . 1588 I HG11 . 17287 1 1197 . 1 1 100 100 ILE HG13 H 1 0.390 0.017 . 2 . . . . 1588 I HG12 . 17287 1 1198 . 1 1 100 100 ILE HG21 H 1 0.055 0.004 . 1 . . . . 1588 I HG21 . 17287 1 1199 . 1 1 100 100 ILE HG22 H 1 0.055 0.004 . 1 . . . . 1588 I HG22 . 17287 1 1200 . 1 1 100 100 ILE HG23 H 1 0.055 0.004 . 1 . . . . 1588 I HG23 . 17287 1 1201 . 1 1 100 100 ILE HD11 H 1 0.234 0.003 . 1 . . . . 1588 I HD11 . 17287 1 1202 . 1 1 100 100 ILE HD12 H 1 0.234 0.003 . 1 . . . . 1588 I HD12 . 17287 1 1203 . 1 1 100 100 ILE HD13 H 1 0.234 0.003 . 1 . . . . 1588 I HD13 . 17287 1 1204 . 1 1 100 100 ILE C C 13 174.335 0.000 . 1 . . . . 1588 I C . 17287 1 1205 . 1 1 100 100 ILE CA C 13 60.552 0.083 . 1 . . . . 1588 I CA . 17287 1 1206 . 1 1 100 100 ILE CB C 13 39.018 0.085 . 1 . . . . 1588 I CB . 17287 1 1207 . 1 1 100 100 ILE CG1 C 13 27.297 0.105 . 1 . . . . 1588 I CG1 . 17287 1 1208 . 1 1 100 100 ILE CG2 C 13 18.749 0.062 . 1 . . . . 1588 I CG2 . 17287 1 1209 . 1 1 100 100 ILE CD1 C 13 14.357 0.066 . 1 . . . . 1588 I CD1 . 17287 1 1210 . 1 1 100 100 ILE N N 15 129.463 0.052 . 1 . . . . 1588 I N . 17287 1 1211 . 1 1 101 101 SER H H 1 7.905 0.006 . 1 . . . . 1589 S HN . 17287 1 1212 . 1 1 101 101 SER HA H 1 5.191 0.005 . 1 . . . . 1589 S HA . 17287 1 1213 . 1 1 101 101 SER HB2 H 1 3.736 0.008 . 2 . . . . 1589 S HB1 . 17287 1 1214 . 1 1 101 101 SER HB3 H 1 3.502 0.009 . 2 . . . . 1589 S HB2 . 17287 1 1215 . 1 1 101 101 SER C C 13 172.042 0.000 . 1 . . . . 1589 S C . 17287 1 1216 . 1 1 101 101 SER CA C 13 57.002 0.108 . 1 . . . . 1589 S CA . 17287 1 1217 . 1 1 101 101 SER CB C 13 63.610 0.123 . 1 . . . . 1589 S CB . 17287 1 1218 . 1 1 101 101 SER N N 15 122.516 0.116 . 1 . . . . 1589 S N . 17287 1 1219 . 1 1 102 102 PHE H H 1 9.666 0.008 . 1 . . . . 1590 F HN . 17287 1 1220 . 1 1 102 102 PHE HA H 1 5.317 0.006 . 1 . . . . 1590 F HA . 17287 1 1221 . 1 1 102 102 PHE HB2 H 1 2.784 0.007 . 2 . . . . 1590 F HB1 . 17287 1 1222 . 1 1 102 102 PHE HB3 H 1 2.323 0.005 . 2 . . . . 1590 F HB2 . 17287 1 1223 . 1 1 102 102 PHE HD1 H 1 6.574 0.008 . 3 . . . . 1590 F HD# . 17287 1 1224 . 1 1 102 102 PHE HD2 H 1 6.574 0.008 . 3 . . . . 1590 F HD# . 17287 1 1225 . 1 1 102 102 PHE HE1 H 1 6.343 0.009 . 3 . . . . 1590 F HE# . 17287 1 1226 . 1 1 102 102 PHE HE2 H 1 6.343 0.009 . 3 . . . . 1590 F HE# . 17287 1 1227 . 1 1 102 102 PHE HZ H 1 6.591 0.006 . 1 . . . . 1590 F HZ . 17287 1 1228 . 1 1 102 102 PHE C C 13 173.938 0.000 . 1 . . . . 1590 F C . 17287 1 1229 . 1 1 102 102 PHE CA C 13 55.540 0.046 . 1 . . . . 1590 F CA . 17287 1 1230 . 1 1 102 102 PHE CB C 13 38.569 0.074 . 1 . . . . 1590 F CB . 17287 1 1231 . 1 1 102 102 PHE CD1 C 13 131.374 0.015 . 3 . . . . 1590 F CD* . 17287 1 1232 . 1 1 102 102 PHE CD2 C 13 131.374 0.015 . 3 . . . . 1590 F CD* . 17287 1 1233 . 1 1 102 102 PHE CE1 C 13 130.186 0.059 . 3 . . . . 1590 F CE* . 17287 1 1234 . 1 1 102 102 PHE CE2 C 13 130.186 0.059 . 3 . . . . 1590 F CE* . 17287 1 1235 . 1 1 102 102 PHE CZ C 13 127.994 0.042 . 1 . . . . 1590 F CZ . 17287 1 1236 . 1 1 102 102 PHE N N 15 125.692 0.074 . 1 . . . . 1590 F N . 17287 1 1237 . 1 1 103 103 VAL H H 1 8.317 0.008 . 1 . . . . 1591 V HN . 17287 1 1238 . 1 1 103 103 VAL HA H 1 4.215 0.006 . 1 . . . . 1591 V HA . 17287 1 1239 . 1 1 103 103 VAL HB H 1 1.112 0.009 . 1 . . . . 1591 V HB . 17287 1 1240 . 1 1 103 103 VAL HG11 H 1 0.526 0.003 . 2 . . . . 1591 V HG11 . 17287 1 1241 . 1 1 103 103 VAL HG12 H 1 0.526 0.003 . 2 . . . . 1591 V HG12 . 17287 1 1242 . 1 1 103 103 VAL HG13 H 1 0.526 0.003 . 2 . . . . 1591 V HG13 . 17287 1 1243 . 1 1 103 103 VAL HG21 H 1 0.773 0.009 . 2 . . . . 1591 V HG21 . 17287 1 1244 . 1 1 103 103 VAL HG22 H 1 0.773 0.009 . 2 . . . . 1591 V HG22 . 17287 1 1245 . 1 1 103 103 VAL HG23 H 1 0.773 0.009 . 2 . . . . 1591 V HG23 . 17287 1 1246 . 1 1 103 103 VAL C C 13 175.431 0.000 . 1 . . . . 1591 V C . 17287 1 1247 . 1 1 103 103 VAL CA C 13 59.331 0.091 . 1 . . . . 1591 V CA . 17287 1 1248 . 1 1 103 103 VAL CB C 13 34.621 0.091 . 1 . . . . 1591 V CB . 17287 1 1249 . 1 1 103 103 VAL CG1 C 13 19.635 0.067 . 2 . . . . 1591 V CG1 . 17287 1 1250 . 1 1 103 103 VAL CG2 C 13 20.957 0.052 . 2 . . . . 1591 V CG2 . 17287 1 1251 . 1 1 103 103 VAL N N 15 122.946 0.132 . 1 . . . . 1591 V N . 17287 1 1252 . 1 1 104 104 CYS H H 1 9.164 0.007 . 1 . . . . 1592 C HN . 17287 1 1253 . 1 1 104 104 CYS HA H 1 4.337 0.005 . 1 . . . . 1592 C HA . 17287 1 1254 . 1 1 104 104 CYS HB2 H 1 3.119 0.007 . 2 . . . . 1592 C HB1 . 17287 1 1255 . 1 1 104 104 CYS HB3 H 1 2.625 0.003 . 2 . . . . 1592 C HB2 . 17287 1 1256 . 1 1 104 104 CYS C C 13 175.061 0.000 . 1 . . . . 1592 C C . 17287 1 1257 . 1 1 104 104 CYS CA C 13 56.436 0.108 . 1 . . . . 1592 C CA . 17287 1 1258 . 1 1 104 104 CYS CB C 13 37.664 0.044 . 1 . . . . 1592 C CB . 17287 1 1259 . 1 1 104 104 CYS N N 15 124.715 0.108 . 1 . . . . 1592 C N . 17287 1 1260 . 1 1 105 105 LYS H H 1 6.909 0.009 . 1 . . . . 1593 K HN . 17287 1 1261 . 1 1 105 105 LYS HA H 1 4.454 0.006 . 1 . . . . 1593 K HA . 17287 1 1262 . 1 1 105 105 LYS HB2 H 1 1.756 0.011 . 2 . . . . 1593 K HB1 . 17287 1 1263 . 1 1 105 105 LYS HB3 H 1 1.644 0.016 . 2 . . . . 1593 K HB2 . 17287 1 1264 . 1 1 105 105 LYS HG2 H 1 1.391 0.010 . 2 . . . . 1593 K HG1 . 17287 1 1265 . 1 1 105 105 LYS HG3 H 1 1.319 0.012 . 2 . . . . 1593 K HG2 . 17287 1 1266 . 1 1 105 105 LYS HD2 H 1 1.676 0.003 . 2 . . . . 1593 K HD1 . 17287 1 1267 . 1 1 105 105 LYS HD3 H 1 1.633 0.000 . 2 . . . . 1593 K HD2 . 17287 1 1268 . 1 1 105 105 LYS HE2 H 1 2.896 0.005 . 2 . . . . 1593 K HE1 . 17287 1 1269 . 1 1 105 105 LYS HE3 H 1 2.817 0.006 . 2 . . . . 1593 K HE2 . 17287 1 1270 . 1 1 105 105 LYS HZ1 H 1 7.506 0.000 . 1 . . . . 1593 K HZ1 . 17287 1 1271 . 1 1 105 105 LYS HZ2 H 1 7.506 0.000 . 1 . . . . 1593 K HZ2 . 17287 1 1272 . 1 1 105 105 LYS HZ3 H 1 7.506 0.000 . 1 . . . . 1593 K HZ3 . 17287 1 1273 . 1 1 105 105 LYS C C 13 176.258 0.000 . 1 . . . . 1593 K C . 17287 1 1274 . 1 1 105 105 LYS CA C 13 55.779 0.102 . 1 . . . . 1593 K CA . 17287 1 1275 . 1 1 105 105 LYS CB C 13 34.975 0.157 . 1 . . . . 1593 K CB . 17287 1 1276 . 1 1 105 105 LYS CG C 13 24.480 0.101 . 1 . . . . 1593 K CG . 17287 1 1277 . 1 1 105 105 LYS CD C 13 28.640 0.042 . 1 . . . . 1593 K CD . 17287 1 1278 . 1 1 105 105 LYS CE C 13 42.128 0.012 . 1 . . . . 1593 K CE . 17287 1 1279 . 1 1 105 105 LYS N N 15 131.220 0.049 . 1 . . . . 1593 K N . 17287 1 1280 . 1 1 106 106 SER H H 1 9.201 0.006 . 1 . . . . 1594 S HN . 17287 1 1281 . 1 1 106 106 SER HA H 1 4.038 0.003 . 1 . . . . 1594 S HA . 17287 1 1282 . 1 1 106 106 SER HB2 H 1 3.919 0.005 . 2 . . . . 1594 S HB1 . 17287 1 1283 . 1 1 106 106 SER HB3 H 1 3.833 0.001 . 2 . . . . 1594 S HB2 . 17287 1 1284 . 1 1 106 106 SER HG H 1 4.719 0.001 . 1 . . . . 1594 S HG . 17287 1 1285 . 1 1 106 106 SER C C 13 174.551 0.000 . 1 . . . . 1594 S C . 17287 1 1286 . 1 1 106 106 SER CA C 13 61.116 0.028 . 1 . . . . 1594 S CA . 17287 1 1287 . 1 1 106 106 SER CB C 13 62.353 0.032 . 1 . . . . 1594 S CB . 17287 1 1288 . 1 1 106 106 SER N N 15 124.674 0.098 . 1 . . . . 1594 S N . 17287 1 1289 . 1 1 107 107 ASP H H 1 8.229 0.007 . 1 . . . . 1595 D HN . 17287 1 1290 . 1 1 107 107 ASP HA H 1 4.649 0.005 . 1 . . . . 1595 D HA . 17287 1 1291 . 1 1 107 107 ASP HB2 H 1 2.906 0.004 . 2 . . . . 1595 D HB1 . 17287 1 1292 . 1 1 107 107 ASP HB3 H 1 2.510 0.006 . 2 . . . . 1595 D HB2 . 17287 1 1293 . 1 1 107 107 ASP C C 13 176.087 0.000 . 1 . . . . 1595 D C . 17287 1 1294 . 1 1 107 107 ASP CA C 13 52.092 0.074 . 1 . . . . 1595 D CA . 17287 1 1295 . 1 1 107 107 ASP CB C 13 39.404 0.118 . 1 . . . . 1595 D CB . 17287 1 1296 . 1 1 107 107 ASP N N 15 119.056 0.115 . 1 . . . . 1595 D N . 17287 1 1297 . 1 1 108 108 ALA H H 1 7.503 0.004 . 1 . . . . 1596 A HN . 17287 1 1298 . 1 1 108 108 ALA HA H 1 4.367 0.003 . 1 . . . . 1596 A HA . 17287 1 1299 . 1 1 108 108 ALA HB1 H 1 1.508 0.009 . 1 . . . . 1596 A HB1 . 17287 1 1300 . 1 1 108 108 ALA HB2 H 1 1.508 0.009 . 1 . . . . 1596 A HB2 . 17287 1 1301 . 1 1 108 108 ALA HB3 H 1 1.508 0.009 . 1 . . . . 1596 A HB3 . 17287 1 1302 . 1 1 108 108 ALA C C 13 177.683 0.000 . 1 . . . . 1596 A C . 17287 1 1303 . 1 1 108 108 ALA CA C 13 52.124 0.044 . 1 . . . . 1596 A CA . 17287 1 1304 . 1 1 108 108 ALA CB C 13 18.765 0.083 . 1 . . . . 1596 A CB . 17287 1 1305 . 1 1 108 108 ALA N N 15 123.964 0.030 . 1 . . . . 1596 A N . 17287 1 1306 . 1 1 109 109 GLY H H 1 8.249 0.004 . 1 . . . . 1597 G HN . 17287 1 1307 . 1 1 109 109 GLY HA2 H 1 4.266 0.007 . 2 . . . . 1597 G HA1 . 17287 1 1308 . 1 1 109 109 GLY HA3 H 1 4.108 0.004 . 2 . . . . 1597 G HA2 . 17287 1 1309 . 1 1 109 109 GLY CA C 13 44.311 0.059 . 1 . . . . 1597 G CA . 17287 1 1310 . 1 1 109 109 GLY N N 15 110.359 0.062 . 1 . . . . 1597 G N . 17287 1 1311 . 1 1 110 110 PRO HA H 1 4.566 0.005 . 1 . . . . 1598 P HA . 17287 1 1312 . 1 1 110 110 PRO HB2 H 1 2.357 0.000 . 2 . . . . 1598 P HB1 . 17287 1 1313 . 1 1 110 110 PRO HB3 H 1 2.341 0.009 . 2 . . . . 1598 P HB2 . 17287 1 1314 . 1 1 110 110 PRO HG2 H 1 2.053 0.003 . 2 . . . . 1598 P HG1 . 17287 1 1315 . 1 1 110 110 PRO HG3 H 1 2.044 0.008 . 2 . . . . 1598 P HG2 . 17287 1 1316 . 1 1 110 110 PRO HD2 H 1 3.776 0.003 . 2 . . . . 1598 P HD1 . 17287 1 1317 . 1 1 110 110 PRO HD3 H 1 3.633 0.007 . 2 . . . . 1598 P HD2 . 17287 1 1318 . 1 1 110 110 PRO C C 13 177.789 0.000 . 1 . . . . 1598 P C . 17287 1 1319 . 1 1 110 110 PRO CA C 13 63.980 0.064 . 1 . . . . 1598 P CA . 17287 1 1320 . 1 1 110 110 PRO CB C 13 31.818 0.095 . 1 . . . . 1598 P CB . 17287 1 1321 . 1 1 110 110 PRO CG C 13 26.491 0.000 . 1 . . . . 1598 P CG . 17287 1 1322 . 1 1 110 110 PRO CD C 13 49.634 0.037 . 1 . . . . 1598 P CD . 17287 1 1323 . 1 1 111 111 THR H H 1 7.922 0.003 . 1 . . . . 1599 T HN . 17287 1 1324 . 1 1 111 111 THR HA H 1 4.535 0.004 . 1 . . . . 1599 T HA . 17287 1 1325 . 1 1 111 111 THR HB H 1 4.499 0.002 . 1 . . . . 1599 T HB . 17287 1 1326 . 1 1 111 111 THR HG21 H 1 1.231 0.004 . 1 . . . . 1599 T HG21 . 17287 1 1327 . 1 1 111 111 THR HG22 H 1 1.231 0.004 . 1 . . . . 1599 T HG22 . 17287 1 1328 . 1 1 111 111 THR HG23 H 1 1.231 0.004 . 1 . . . . 1599 T HG23 . 17287 1 1329 . 1 1 111 111 THR C C 13 175.124 0.000 . 1 . . . . 1599 T C . 17287 1 1330 . 1 1 111 111 THR CA C 13 61.134 0.057 . 1 . . . . 1599 T CA . 17287 1 1331 . 1 1 111 111 THR CB C 13 68.571 0.108 . 1 . . . . 1599 T CB . 17287 1 1332 . 1 1 111 111 THR CG2 C 13 21.439 0.091 . 1 . . . . 1599 T CG2 . 17287 1 1333 . 1 1 111 111 THR N N 15 110.242 0.076 . 1 . . . . 1599 T N . 17287 1 1334 . 1 1 112 112 SER H H 1 8.125 0.007 . 1 . . . . 1600 S HN . 17287 1 1335 . 1 1 112 112 SER HA H 1 4.476 0.005 . 1 . . . . 1600 S HA . 17287 1 1336 . 1 1 112 112 SER HB2 H 1 4.249 0.004 . 2 . . . . 1600 S HB1 . 17287 1 1337 . 1 1 112 112 SER HB3 H 1 4.241 0.002 . 2 . . . . 1600 S HB2 . 17287 1 1338 . 1 1 112 112 SER HG H 1 4.720 0.003 . 1 . . . . 1600 S HG . 17287 1 1339 . 1 1 112 112 SER C C 13 173.925 0.000 . 1 . . . . 1600 S C . 17287 1 1340 . 1 1 112 112 SER CA C 13 58.393 0.061 . 1 . . . . 1600 S CA . 17287 1 1341 . 1 1 112 112 SER CB C 13 63.748 0.090 . 1 . . . . 1600 S CB . 17287 1 1342 . 1 1 112 112 SER N N 15 119.999 0.070 . 1 . . . . 1600 S N . 17287 1 1343 . 1 1 113 113 GLN H H 1 8.299 0.009 . 1 . . . . 1601 Q HN . 17287 1 1344 . 1 1 113 113 GLN HA H 1 4.211 0.005 . 1 . . . . 1601 Q HA . 17287 1 1345 . 1 1 113 113 GLN HB2 H 1 1.984 0.004 . 2 . . . . 1601 Q HB1 . 17287 1 1346 . 1 1 113 113 GLN HB3 H 1 1.666 0.005 . 2 . . . . 1601 Q HB2 . 17287 1 1347 . 1 1 113 113 GLN HG2 H 1 2.382 0.009 . 2 . . . . 1601 Q HG1 . 17287 1 1348 . 1 1 113 113 GLN HG3 H 1 2.356 0.006 . 2 . . . . 1601 Q HG2 . 17287 1 1349 . 1 1 113 113 GLN HE21 H 1 6.803 0.004 . 2 . . . . 1601 Q HE21 . 17287 1 1350 . 1 1 113 113 GLN HE22 H 1 7.412 0.003 . 2 . . . . 1601 Q HE22 . 17287 1 1351 . 1 1 113 113 GLN CA C 13 51.850 0.047 . 1 . . . . 1601 Q CA . 17287 1 1352 . 1 1 113 113 GLN CB C 13 30.594 0.142 . 1 . . . . 1601 Q CB . 17287 1 1353 . 1 1 113 113 GLN CG C 13 32.888 0.123 . 1 . . . . 1601 Q CG . 17287 1 1354 . 1 1 113 113 GLN CD C 13 180.668 0.009 . 1 . . . . 1601 Q CD . 17287 1 1355 . 1 1 113 113 GLN N N 15 123.271 0.132 . 1 . . . . 1601 Q N . 17287 1 1356 . 1 1 113 113 GLN NE2 N 15 113.490 0.317 . 1 . . . . 1601 Q NE2 . 17287 1 1357 . 1 1 114 114 PRO HA H 1 4.077 0.009 . 1 . . . . 1602 P HA . 17287 1 1358 . 1 1 114 114 PRO HG2 H 1 1.229 0.004 . 2 . . . . 1602 P HG1 . 17287 1 1359 . 1 1 114 114 PRO HG3 H 1 1.071 0.011 . 2 . . . . 1602 P HG2 . 17287 1 1360 . 1 1 114 114 PRO C C 13 173.918 0.000 . 1 . . . . 1602 P C . 17287 1 1361 . 1 1 114 114 PRO CA C 13 61.202 0.087 . 1 . . . . 1602 P CA . 17287 1 1362 . 1 1 114 114 PRO CB C 13 30.835 0.014 . 1 . . . . 1602 P CB . 17287 1 1363 . 1 1 114 114 PRO CG C 13 24.878 0.001 . 1 . . . . 1602 P CG . 17287 1 1364 . 1 1 115 115 LEU H H 1 8.447 0.009 . 1 . . . . 1603 L HN . 17287 1 1365 . 1 1 115 115 LEU HA H 1 4.539 0.003 . 1 . . . . 1603 L HA . 17287 1 1366 . 1 1 115 115 LEU HB2 H 1 1.531 0.009 . 2 . . . . 1603 L HB1 . 17287 1 1367 . 1 1 115 115 LEU HB3 H 1 1.501 0.007 . 2 . . . . 1603 L HB2 . 17287 1 1368 . 1 1 115 115 LEU HD11 H 1 0.818 0.005 . 2 . . . . 1603 L HD11 . 17287 1 1369 . 1 1 115 115 LEU HD12 H 1 0.818 0.005 . 2 . . . . 1603 L HD12 . 17287 1 1370 . 1 1 115 115 LEU HD13 H 1 0.818 0.005 . 2 . . . . 1603 L HD13 . 17287 1 1371 . 1 1 115 115 LEU HD21 H 1 0.821 0.003 . 2 . . . . 1603 L HD21 . 17287 1 1372 . 1 1 115 115 LEU HD22 H 1 0.821 0.003 . 2 . . . . 1603 L HD22 . 17287 1 1373 . 1 1 115 115 LEU HD23 H 1 0.821 0.003 . 2 . . . . 1603 L HD23 . 17287 1 1374 . 1 1 115 115 LEU C C 13 176.229 0.000 . 1 . . . . 1603 L C . 17287 1 1375 . 1 1 115 115 LEU CA C 13 53.198 0.123 . 1 . . . . 1603 L CA . 17287 1 1376 . 1 1 115 115 LEU CB C 13 44.902 0.101 . 1 . . . . 1603 L CB . 17287 1 1377 . 1 1 115 115 LEU CD1 C 13 24.108 0.013 . 2 . . . . 1603 L CD1 . 17287 1 1378 . 1 1 115 115 LEU CD2 C 13 24.366 0.016 . 2 . . . . 1603 L CD2 . 17287 1 1379 . 1 1 115 115 LEU N N 15 117.030 0.041 . 1 . . . . 1603 L N . 17287 1 1380 . 1 1 116 116 LEU H H 1 8.734 0.006 . 1 . . . . 1604 L HN . 17287 1 1381 . 1 1 116 116 LEU HA H 1 4.261 0.007 . 1 . . . . 1604 L HA . 17287 1 1382 . 1 1 116 116 LEU HB2 H 1 1.924 0.008 . 2 . . . . 1604 L HB1 . 17287 1 1383 . 1 1 116 116 LEU HB3 H 1 0.847 0.011 . 2 . . . . 1604 L HB2 . 17287 1 1384 . 1 1 116 116 LEU HG H 1 0.907 0.008 . 1 . . . . 1604 L HG . 17287 1 1385 . 1 1 116 116 LEU HD11 H 1 -0.012 0.003 . 2 . . . . 1604 L HD11 . 17287 1 1386 . 1 1 116 116 LEU HD12 H 1 -0.012 0.003 . 2 . . . . 1604 L HD12 . 17287 1 1387 . 1 1 116 116 LEU HD13 H 1 -0.012 0.003 . 2 . . . . 1604 L HD13 . 17287 1 1388 . 1 1 116 116 LEU HD21 H 1 0.539 0.010 . 2 . . . . 1604 L HD21 . 17287 1 1389 . 1 1 116 116 LEU HD22 H 1 0.539 0.010 . 2 . . . . 1604 L HD22 . 17287 1 1390 . 1 1 116 116 LEU HD23 H 1 0.539 0.010 . 2 . . . . 1604 L HD23 . 17287 1 1391 . 1 1 116 116 LEU C C 13 175.184 0.000 . 1 . . . . 1604 L C . 17287 1 1392 . 1 1 116 116 LEU CA C 13 53.968 0.108 . 1 . . . . 1604 L CA . 17287 1 1393 . 1 1 116 116 LEU CB C 13 41.323 0.083 . 1 . . . . 1604 L CB . 17287 1 1394 . 1 1 116 116 LEU CG C 13 26.120 0.047 . 1 . . . . 1604 L CG . 17287 1 1395 . 1 1 116 116 LEU CD1 C 13 21.756 0.031 . 2 . . . . 1604 L CD1 . 17287 1 1396 . 1 1 116 116 LEU CD2 C 13 25.436 0.056 . 2 . . . . 1604 L CD2 . 17287 1 1397 . 1 1 116 116 LEU N N 15 124.463 0.049 . 1 . . . . 1604 L N . 17287 1 1398 . 1 1 117 117 LEU H H 1 9.147 0.006 . 1 . . . . 1605 L HN . 17287 1 1399 . 1 1 117 117 LEU HA H 1 4.213 0.010 . 1 . . . . 1605 L HA . 17287 1 1400 . 1 1 117 117 LEU HB2 H 1 1.506 0.004 . 2 . . . . 1605 L HB1 . 17287 1 1401 . 1 1 117 117 LEU HB3 H 1 1.445 0.010 . 2 . . . . 1605 L HB2 . 17287 1 1402 . 1 1 117 117 LEU HD11 H 1 0.743 0.003 . 2 . . . . 1605 L HD11 . 17287 1 1403 . 1 1 117 117 LEU HD12 H 1 0.743 0.003 . 2 . . . . 1605 L HD12 . 17287 1 1404 . 1 1 117 117 LEU HD13 H 1 0.743 0.003 . 2 . . . . 1605 L HD13 . 17287 1 1405 . 1 1 117 117 LEU HD21 H 1 0.814 0.002 . 2 . . . . 1605 L HD21 . 17287 1 1406 . 1 1 117 117 LEU HD22 H 1 0.814 0.002 . 2 . . . . 1605 L HD22 . 17287 1 1407 . 1 1 117 117 LEU HD23 H 1 0.814 0.002 . 2 . . . . 1605 L HD23 . 17287 1 1408 . 1 1 117 117 LEU C C 13 177.879 0.000 . 1 . . . . 1605 L C . 17287 1 1409 . 1 1 117 117 LEU CA C 13 56.073 0.073 . 1 . . . . 1605 L CA . 17287 1 1410 . 1 1 117 117 LEU CB C 13 42.753 0.080 . 1 . . . . 1605 L CB . 17287 1 1411 . 1 1 117 117 LEU CD1 C 13 23.540 0.106 . 2 . . . . 1605 L CD1 . 17287 1 1412 . 1 1 117 117 LEU CD2 C 13 23.735 0.012 . 2 . . . . 1605 L CD2 . 17287 1 1413 . 1 1 117 117 LEU N N 15 131.844 0.086 . 1 . . . . 1605 L N . 17287 1 1414 . 1 1 118 118 SER H H 1 7.685 0.006 . 1 . . . . 1606 S HN . 17287 1 1415 . 1 1 118 118 SER HA H 1 4.413 0.006 . 1 . . . . 1606 S HA . 17287 1 1416 . 1 1 118 118 SER HB2 H 1 3.727 0.002 . 2 . . . . 1606 S HB1 . 17287 1 1417 . 1 1 118 118 SER HB3 H 1 3.725 0.002 . 2 . . . . 1606 S HB2 . 17287 1 1418 . 1 1 118 118 SER C C 13 171.434 0.000 . 1 . . . . 1606 S C . 17287 1 1419 . 1 1 118 118 SER CA C 13 57.189 0.132 . 1 . . . . 1606 S CA . 17287 1 1420 . 1 1 118 118 SER CB C 13 63.962 0.075 . 1 . . . . 1606 S CB . 17287 1 1421 . 1 1 118 118 SER N N 15 110.122 0.078 . 1 . . . . 1606 S N . 17287 1 1422 . 1 1 119 119 VAL H H 1 8.250 0.006 . 1 . . . . 1607 V HN . 17287 1 1423 . 1 1 119 119 VAL HA H 1 4.755 0.007 . 1 . . . . 1607 V HA . 17287 1 1424 . 1 1 119 119 VAL HB H 1 1.934 0.003 . 1 . . . . 1607 V HB . 17287 1 1425 . 1 1 119 119 VAL HG11 H 1 0.728 0.005 . 2 . . . . 1607 V HG11 . 17287 1 1426 . 1 1 119 119 VAL HG12 H 1 0.728 0.005 . 2 . . . . 1607 V HG12 . 17287 1 1427 . 1 1 119 119 VAL HG13 H 1 0.728 0.005 . 2 . . . . 1607 V HG13 . 17287 1 1428 . 1 1 119 119 VAL HG21 H 1 0.905 0.005 . 2 . . . . 1607 V HG21 . 17287 1 1429 . 1 1 119 119 VAL HG22 H 1 0.905 0.005 . 2 . . . . 1607 V HG22 . 17287 1 1430 . 1 1 119 119 VAL HG23 H 1 0.905 0.005 . 2 . . . . 1607 V HG23 . 17287 1 1431 . 1 1 119 119 VAL C C 13 175.521 0.000 . 1 . . . . 1607 V C . 17287 1 1432 . 1 1 119 119 VAL CA C 13 60.388 0.063 . 1 . . . . 1607 V CA . 17287 1 1433 . 1 1 119 119 VAL CB C 13 34.527 0.062 . 1 . . . . 1607 V CB . 17287 1 1434 . 1 1 119 119 VAL CG1 C 13 19.833 0.056 . 2 . . . . 1607 V CG1 . 17287 1 1435 . 1 1 119 119 VAL CG2 C 13 21.979 0.117 . 2 . . . . 1607 V CG2 . 17287 1 1436 . 1 1 119 119 VAL N N 15 119.559 0.125 . 1 . . . . 1607 V N . 17287 1 1437 . 1 1 120 120 ASP H H 1 9.227 0.008 . 1 . . . . 1608 D HN . 17287 1 1438 . 1 1 120 120 ASP HA H 1 4.930 0.010 . 1 . . . . 1608 D HA . 17287 1 1439 . 1 1 120 120 ASP HB2 H 1 2.926 0.010 . 2 . . . . 1608 D HB1 . 17287 1 1440 . 1 1 120 120 ASP HB3 H 1 2.797 0.003 . 2 . . . . 1608 D HB2 . 17287 1 1441 . 1 1 120 120 ASP C C 13 177.389 0.000 . 1 . . . . 1608 D C . 17287 1 1442 . 1 1 120 120 ASP CA C 13 51.979 0.060 . 1 . . . . 1608 D CA . 17287 1 1443 . 1 1 120 120 ASP CB C 13 41.052 0.141 . 1 . . . . 1608 D CB . 17287 1 1444 . 1 1 120 120 ASP N N 15 126.948 0.141 . 1 . . . . 1608 D N . 17287 1 1445 . 1 1 121 121 GLU H H 1 8.996 0.008 . 1 . . . . 1609 E HN . 17287 1 1446 . 1 1 121 121 GLU HA H 1 3.956 0.007 . 1 . . . . 1609 E HA . 17287 1 1447 . 1 1 121 121 GLU HB2 H 1 1.992 0.004 . 2 . . . . 1609 E HB1 . 17287 1 1448 . 1 1 121 121 GLU HB3 H 1 1.670 0.005 . 2 . . . . 1609 E HB2 . 17287 1 1449 . 1 1 121 121 GLU HG2 H 1 2.234 0.005 . 2 . . . . 1609 E HG1 . 17287 1 1450 . 1 1 121 121 GLU HG3 H 1 2.107 0.005 . 2 . . . . 1609 E HG2 . 17287 1 1451 . 1 1 121 121 GLU C C 13 177.417 0.000 . 1 . . . . 1609 E C . 17287 1 1452 . 1 1 121 121 GLU CA C 13 57.668 0.087 . 1 . . . . 1609 E CA . 17287 1 1453 . 1 1 121 121 GLU CB C 13 28.682 0.108 . 1 . . . . 1609 E CB . 17287 1 1454 . 1 1 121 121 GLU CG C 13 35.200 0.092 . 1 . . . . 1609 E CG . 17287 1 1455 . 1 1 121 121 GLU N N 15 126.414 0.115 . 1 . . . . 1609 E N . 17287 1 1456 . 1 1 122 122 HIS H H 1 8.285 0.009 . 1 . . . . 1610 H HN . 17287 1 1457 . 1 1 122 122 HIS HA H 1 4.261 0.004 . 1 . . . . 1610 H HA . 17287 1 1458 . 1 1 122 122 HIS HB2 H 1 3.365 0.006 . 2 . . . . 1610 H HB1 . 17287 1 1459 . 1 1 122 122 HIS HB3 H 1 3.222 0.009 . 2 . . . . 1610 H HB2 . 17287 1 1460 . 1 1 122 122 HIS C C 13 175.310 0.000 . 1 . . . . 1610 H C . 17287 1 1461 . 1 1 122 122 HIS CA C 13 57.324 0.074 . 1 . . . . 1610 H CA . 17287 1 1462 . 1 1 122 122 HIS CB C 13 28.220 0.107 . 1 . . . . 1610 H CB . 17287 1 1463 . 1 1 122 122 HIS N N 15 115.300 0.115 . 1 . . . . 1610 H N . 17287 1 1464 . 1 1 123 123 THR H H 1 6.936 0.006 . 1 . . . . 1611 T HN . 17287 1 1465 . 1 1 123 123 THR HA H 1 4.255 0.002 . 1 . . . . 1611 T HA . 17287 1 1466 . 1 1 123 123 THR HB H 1 4.275 0.003 . 1 . . . . 1611 T HB . 17287 1 1467 . 1 1 123 123 THR HG1 H 1 4.727 0.008 . 1 . . . . 1611 T HG1 . 17287 1 1468 . 1 1 123 123 THR HG21 H 1 0.972 0.004 . 1 . . . . 1611 T HG21 . 17287 1 1469 . 1 1 123 123 THR HG22 H 1 0.972 0.004 . 1 . . . . 1611 T HG22 . 17287 1 1470 . 1 1 123 123 THR HG23 H 1 0.972 0.004 . 1 . . . . 1611 T HG23 . 17287 1 1471 . 1 1 123 123 THR C C 13 173.199 0.000 . 1 . . . . 1611 T C . 17287 1 1472 . 1 1 123 123 THR CA C 13 59.331 0.032 . 1 . . . . 1611 T CA . 17287 1 1473 . 1 1 123 123 THR CB C 13 69.955 0.072 . 1 . . . . 1611 T CB . 17287 1 1474 . 1 1 123 123 THR CG2 C 13 20.168 0.062 . 1 . . . . 1611 T CG2 . 17287 1 1475 . 1 1 123 123 THR N N 15 103.902 0.040 . 1 . . . . 1611 T N . 17287 1 1476 . 1 1 124 124 CYS H H 1 7.670 0.005 . 1 . . . . 1612 C HN . 17287 1 1477 . 1 1 124 124 CYS HA H 1 3.335 0.003 . 1 . . . . 1612 C HA . 17287 1 1478 . 1 1 124 124 CYS HB2 H 1 2.435 0.007 . 2 . . . . 1612 C HB1 . 17287 1 1479 . 1 1 124 124 CYS HB3 H 1 1.578 0.008 . 2 . . . . 1612 C HB2 . 17287 1 1480 . 1 1 124 124 CYS C C 13 172.143 0.000 . 1 . . . . 1612 C C . 17287 1 1481 . 1 1 124 124 CYS CA C 13 59.148 0.080 . 1 . . . . 1612 C CA . 17287 1 1482 . 1 1 124 124 CYS CB C 13 34.925 0.129 . 1 . . . . 1612 C CB . 17287 1 1483 . 1 1 124 124 CYS N N 15 115.852 0.057 . 1 . . . . 1612 C N . 17287 1 1484 . 1 1 125 125 THR H H 1 7.376 0.004 . 1 . . . . 1613 T HN . 17287 1 1485 . 1 1 125 125 THR HA H 1 4.923 0.005 . 1 . . . . 1613 T HA . 17287 1 1486 . 1 1 125 125 THR HB H 1 3.542 0.005 . 1 . . . . 1613 T HB . 17287 1 1487 . 1 1 125 125 THR HG21 H 1 0.229 0.005 . 1 . . . . 1613 T HG21 . 17287 1 1488 . 1 1 125 125 THR HG22 H 1 0.229 0.005 . 1 . . . . 1613 T HG22 . 17287 1 1489 . 1 1 125 125 THR HG23 H 1 0.229 0.005 . 1 . . . . 1613 T HG23 . 17287 1 1490 . 1 1 125 125 THR C C 13 172.826 0.000 . 1 . . . . 1613 T C . 17287 1 1491 . 1 1 125 125 THR CA C 13 61.147 0.112 . 1 . . . . 1613 T CA . 17287 1 1492 . 1 1 125 125 THR CB C 13 69.240 0.090 . 1 . . . . 1613 T CB . 17287 1 1493 . 1 1 125 125 THR CG2 C 13 21.923 0.107 . 1 . . . . 1613 T CG2 . 17287 1 1494 . 1 1 125 125 THR N N 15 110.686 0.141 . 1 . . . . 1613 T N . 17287 1 1495 . 1 1 126 126 LEU H H 1 9.023 0.006 . 1 . . . . 1614 L HN . 17287 1 1496 . 1 1 126 126 LEU HA H 1 4.373 0.009 . 1 . . . . 1614 L HA . 17287 1 1497 . 1 1 126 126 LEU HB2 H 1 1.915 0.012 . 2 . . . . 1614 L HB1 . 17287 1 1498 . 1 1 126 126 LEU HB3 H 1 0.975 0.011 . 2 . . . . 1614 L HB2 . 17287 1 1499 . 1 1 126 126 LEU HG H 1 1.733 0.007 . 1 . . . . 1614 L HG . 17287 1 1500 . 1 1 126 126 LEU HD11 H 1 0.687 0.008 . 2 . . . . 1614 L HD11 . 17287 1 1501 . 1 1 126 126 LEU HD12 H 1 0.687 0.008 . 2 . . . . 1614 L HD12 . 17287 1 1502 . 1 1 126 126 LEU HD13 H 1 0.687 0.008 . 2 . . . . 1614 L HD13 . 17287 1 1503 . 1 1 126 126 LEU HD21 H 1 1.033 0.008 . 2 . . . . 1614 L HD21 . 17287 1 1504 . 1 1 126 126 LEU HD22 H 1 1.033 0.008 . 2 . . . . 1614 L HD22 . 17287 1 1505 . 1 1 126 126 LEU HD23 H 1 1.033 0.008 . 2 . . . . 1614 L HD23 . 17287 1 1506 . 1 1 126 126 LEU C C 13 173.985 0.000 . 1 . . . . 1614 L C . 17287 1 1507 . 1 1 126 126 LEU CA C 13 54.623 0.097 . 1 . . . . 1614 L CA . 17287 1 1508 . 1 1 126 126 LEU CB C 13 42.570 0.101 . 1 . . . . 1614 L CB . 17287 1 1509 . 1 1 126 126 LEU CG C 13 29.727 0.188 . 1 . . . . 1614 L CG . 17287 1 1510 . 1 1 126 126 LEU CD1 C 13 25.233 0.048 . 2 . . . . 1614 L CD1 . 17287 1 1511 . 1 1 126 126 LEU CD2 C 13 24.945 0.041 . 2 . . . . 1614 L CD2 . 17287 1 1512 . 1 1 126 126 LEU N N 15 129.432 0.130 . 1 . . . . 1614 L N . 17287 1 1513 . 1 1 127 127 PHE H H 1 8.284 0.008 . 1 . . . . 1615 F HN . 17287 1 1514 . 1 1 127 127 PHE HA H 1 5.060 0.009 . 1 . . . . 1615 F HA . 17287 1 1515 . 1 1 127 127 PHE HB2 H 1 2.855 0.009 . 2 . . . . 1615 F HB1 . 17287 1 1516 . 1 1 127 127 PHE HB3 H 1 2.790 0.010 . 2 . . . . 1615 F HB2 . 17287 1 1517 . 1 1 127 127 PHE HD1 H 1 7.032 0.007 . 3 . . . . 1615 F HD# . 17287 1 1518 . 1 1 127 127 PHE HD2 H 1 7.032 0.007 . 3 . . . . 1615 F HD# . 17287 1 1519 . 1 1 127 127 PHE HE1 H 1 7.143 0.008 . 3 . . . . 1615 F HE# . 17287 1 1520 . 1 1 127 127 PHE HE2 H 1 7.143 0.008 . 3 . . . . 1615 F HE# . 17287 1 1521 . 1 1 127 127 PHE C C 13 174.691 0.000 . 1 . . . . 1615 F C . 17287 1 1522 . 1 1 127 127 PHE CA C 13 56.624 0.121 . 1 . . . . 1615 F CA . 17287 1 1523 . 1 1 127 127 PHE CB C 13 38.813 0.078 . 1 . . . . 1615 F CB . 17287 1 1524 . 1 1 127 127 PHE CD1 C 13 131.869 0.000 . 3 . . . . 1615 F CD* . 17287 1 1525 . 1 1 127 127 PHE CD2 C 13 131.869 0.000 . 3 . . . . 1615 F CD* . 17287 1 1526 . 1 1 127 127 PHE CE1 C 13 130.191 0.000 . 3 . . . . 1615 F CE* . 17287 1 1527 . 1 1 127 127 PHE CE2 C 13 130.191 0.000 . 3 . . . . 1615 F CE* . 17287 1 1528 . 1 1 127 127 PHE N N 15 119.937 0.085 . 1 . . . . 1615 F N . 17287 1 1529 . 1 1 128 128 PHE H H 1 9.529 0.004 . 1 . . . . 1616 F HN . 17287 1 1530 . 1 1 128 128 PHE HA H 1 5.454 0.006 . 1 . . . . 1616 F HA . 17287 1 1531 . 1 1 128 128 PHE HB2 H 1 2.823 0.004 . 2 . . . . 1616 F HB1 . 17287 1 1532 . 1 1 128 128 PHE HB3 H 1 2.644 0.006 . 2 . . . . 1616 F HB2 . 17287 1 1533 . 1 1 128 128 PHE HD1 H 1 6.781 0.009 . 3 . . . . 1616 F HD# . 17287 1 1534 . 1 1 128 128 PHE HD2 H 1 6.781 0.009 . 3 . . . . 1616 F HD# . 17287 1 1535 . 1 1 128 128 PHE HE1 H 1 7.013 0.010 . 3 . . . . 1616 F HE# . 17287 1 1536 . 1 1 128 128 PHE HE2 H 1 7.013 0.010 . 3 . . . . 1616 F HE# . 17287 1 1537 . 1 1 128 128 PHE HZ H 1 6.901 0.002 . 1 . . . . 1616 F HZ . 17287 1 1538 . 1 1 128 128 PHE C C 13 176.234 0.000 . 1 . . . . 1616 F C . 17287 1 1539 . 1 1 128 128 PHE CA C 13 55.871 0.108 . 1 . . . . 1616 F CA . 17287 1 1540 . 1 1 128 128 PHE CB C 13 41.840 0.097 . 1 . . . . 1616 F CB . 17287 1 1541 . 1 1 128 128 PHE CD1 C 13 130.669 0.000 . 3 . . . . 1616 F CD* . 17287 1 1542 . 1 1 128 128 PHE CD2 C 13 130.669 0.000 . 3 . . . . 1616 F CD* . 17287 1 1543 . 1 1 128 128 PHE CE1 C 13 130.347 0.000 . 3 . . . . 1616 F CE* . 17287 1 1544 . 1 1 128 128 PHE CE2 C 13 130.347 0.000 . 3 . . . . 1616 F CE* . 17287 1 1545 . 1 1 128 128 PHE N N 15 122.148 0.099 . 1 . . . . 1616 F N . 17287 1 1546 . 1 1 129 129 SER H H 1 9.169 0.008 . 1 . . . . 1617 S HN . 17287 1 1547 . 1 1 129 129 SER HA H 1 5.267 0.002 . 1 . . . . 1617 S HA . 17287 1 1548 . 1 1 129 129 SER HB2 H 1 3.577 0.005 . 2 . . . . 1617 S HB1 . 17287 1 1549 . 1 1 129 129 SER HB3 H 1 3.531 0.009 . 2 . . . . 1617 S HB2 . 17287 1 1550 . 1 1 129 129 SER C C 13 173.206 0.000 . 1 . . . . 1617 S C . 17287 1 1551 . 1 1 129 129 SER CA C 13 56.148 0.080 . 1 . . . . 1617 S CA . 17287 1 1552 . 1 1 129 129 SER CB C 13 65.311 0.096 . 1 . . . . 1617 S CB . 17287 1 1553 . 1 1 129 129 SER N N 15 117.843 0.086 . 1 . . . . 1617 S N . 17287 1 1554 . 1 1 130 130 TRP H H 1 8.904 0.007 . 1 . . . . 1618 W HN . 17287 1 1555 . 1 1 130 130 TRP HA H 1 4.769 0.010 . 1 . . . . 1618 W HA . 17287 1 1556 . 1 1 130 130 TRP HB2 H 1 3.038 0.006 . 2 . . . . 1618 W HB1 . 17287 1 1557 . 1 1 130 130 TRP HB3 H 1 2.166 0.012 . 2 . . . . 1618 W HB2 . 17287 1 1558 . 1 1 130 130 TRP HD1 H 1 6.604 0.005 . 1 . . . . 1618 W HD1 . 17287 1 1559 . 1 1 130 130 TRP HE1 H 1 9.452 0.005 . 1 . . . . 1618 W HE1 . 17287 1 1560 . 1 1 130 130 TRP HE3 H 1 6.892 0.012 . 1 . . . . 1618 W HE3 . 17287 1 1561 . 1 1 130 130 TRP C C 13 175.073 0.000 . 1 . . . . 1618 W C . 17287 1 1562 . 1 1 130 130 TRP CA C 13 54.912 0.075 . 1 . . . . 1618 W CA . 17287 1 1563 . 1 1 130 130 TRP CB C 13 31.486 0.085 . 1 . . . . 1618 W CB . 17287 1 1564 . 1 1 130 130 TRP N N 15 130.938 0.142 . 1 . . . . 1618 W N . 17287 1 1565 . 1 1 130 130 TRP NE1 N 15 128.140 0.049 . 1 . . . . 1618 W NE1 . 17287 1 1566 . 1 1 131 131 HIS H H 1 9.482 0.005 . 1 . . . . 1619 H HN . 17287 1 1567 . 1 1 131 131 HIS HA H 1 5.335 0.007 . 1 . . . . 1619 H HA . 17287 1 1568 . 1 1 131 131 HIS HB2 H 1 3.132 0.007 . 2 . . . . 1619 H HB1 . 17287 1 1569 . 1 1 131 131 HIS HB3 H 1 2.801 0.007 . 2 . . . . 1619 H HB2 . 17287 1 1570 . 1 1 131 131 HIS HD2 H 1 6.745 0.000 . 1 . . . . 1619 H HD2 . 17287 1 1571 . 1 1 131 131 HIS HE1 H 1 8.341 0.000 . 1 . . . . 1619 H HE1 . 17287 1 1572 . 1 1 131 131 HIS C C 13 174.193 0.000 . 1 . . . . 1619 H C . 17287 1 1573 . 1 1 131 131 HIS CA C 13 55.713 0.095 . 1 . . . . 1619 H CA . 17287 1 1574 . 1 1 131 131 HIS CB C 13 29.331 0.119 . 1 . . . . 1619 H CB . 17287 1 1575 . 1 1 131 131 HIS CE1 C 13 136.505 0.000 . 1 . . . . 1619 H CE1 . 17287 1 1576 . 1 1 131 131 HIS N N 15 128.963 0.107 . 1 . . . . 1619 H N . 17287 1 1577 . 1 1 132 132 THR H H 1 9.046 0.005 . 1 . . . . 1620 T HN . 17287 1 1578 . 1 1 132 132 THR HA H 1 5.089 0.004 . 1 . . . . 1620 T HA . 17287 1 1579 . 1 1 132 132 THR HB H 1 4.020 0.005 . 1 . . . . 1620 T HB . 17287 1 1580 . 1 1 132 132 THR HG1 H 1 6.380 0.007 . 1 . . . . 1620 T HG1 . 17287 1 1581 . 1 1 132 132 THR HG21 H 1 0.946 0.004 . 1 . . . . 1620 T HG21 . 17287 1 1582 . 1 1 132 132 THR HG22 H 1 0.946 0.004 . 1 . . . . 1620 T HG22 . 17287 1 1583 . 1 1 132 132 THR HG23 H 1 0.946 0.004 . 1 . . . . 1620 T HG23 . 17287 1 1584 . 1 1 132 132 THR C C 13 174.503 0.000 . 1 . . . . 1620 T C . 17287 1 1585 . 1 1 132 132 THR CA C 13 58.612 0.123 . 1 . . . . 1620 T CA . 17287 1 1586 . 1 1 132 132 THR CB C 13 68.115 0.088 . 1 . . . . 1620 T CB . 17287 1 1587 . 1 1 132 132 THR CG2 C 13 18.757 0.054 . 1 . . . . 1620 T CG2 . 17287 1 1588 . 1 1 132 132 THR N N 15 120.541 0.082 . 1 . . . . 1620 T N . 17287 1 1589 . 1 1 133 133 SER H H 1 9.113 0.005 . 1 . . . . 1621 S HN . 17287 1 1590 . 1 1 133 133 SER HA H 1 4.351 0.004 . 1 . . . . 1621 S HA . 17287 1 1591 . 1 1 133 133 SER HB2 H 1 4.023 0.006 . 2 . . . . 1621 S HB1 . 17287 1 1592 . 1 1 133 133 SER HB3 H 1 3.918 0.010 . 2 . . . . 1621 S HB2 . 17287 1 1593 . 1 1 133 133 SER C C 13 177.274 0.000 . 1 . . . . 1621 S C . 17287 1 1594 . 1 1 133 133 SER CA C 13 61.075 0.041 . 1 . . . . 1621 S CA . 17287 1 1595 . 1 1 133 133 SER CB C 13 61.888 0.197 . 1 . . . . 1621 S CB . 17287 1 1596 . 1 1 133 133 SER N N 15 130.045 0.049 . 1 . . . . 1621 S N . 17287 1 1597 . 1 1 134 134 LEU H H 1 8.442 0.005 . 1 . . . . 1622 L HN . 17287 1 1598 . 1 1 134 134 LEU HA H 1 4.205 0.004 . 1 . . . . 1622 L HA . 17287 1 1599 . 1 1 134 134 LEU HB2 H 1 1.384 0.005 . 2 . . . . 1622 L HB1 . 17287 1 1600 . 1 1 134 134 LEU HB3 H 1 1.356 0.008 . 2 . . . . 1622 L HB2 . 17287 1 1601 . 1 1 134 134 LEU HG H 1 1.528 0.007 . 1 . . . . 1622 L HG . 17287 1 1602 . 1 1 134 134 LEU HD11 H 1 0.684 0.009 . 2 . . . . 1622 L HD11 . 17287 1 1603 . 1 1 134 134 LEU HD12 H 1 0.684 0.009 . 2 . . . . 1622 L HD12 . 17287 1 1604 . 1 1 134 134 LEU HD13 H 1 0.684 0.009 . 2 . . . . 1622 L HD13 . 17287 1 1605 . 1 1 134 134 LEU HD21 H 1 0.859 0.006 . 2 . . . . 1622 L HD21 . 17287 1 1606 . 1 1 134 134 LEU HD22 H 1 0.859 0.006 . 2 . . . . 1622 L HD22 . 17287 1 1607 . 1 1 134 134 LEU HD23 H 1 0.859 0.006 . 2 . . . . 1622 L HD23 . 17287 1 1608 . 1 1 134 134 LEU C C 13 176.896 0.000 . 1 . . . . 1622 L C . 17287 1 1609 . 1 1 134 134 LEU CA C 13 55.880 0.113 . 1 . . . . 1622 L CA . 17287 1 1610 . 1 1 134 134 LEU CB C 13 41.401 0.055 . 1 . . . . 1622 L CB . 17287 1 1611 . 1 1 134 134 LEU CG C 13 26.648 0.013 . 1 . . . . 1622 L CG . 17287 1 1612 . 1 1 134 134 LEU CD1 C 13 25.473 0.078 . 2 . . . . 1622 L CD1 . 17287 1 1613 . 1 1 134 134 LEU CD2 C 13 21.801 0.037 . 2 . . . . 1622 L CD2 . 17287 1 1614 . 1 1 134 134 LEU N N 15 123.581 0.101 . 1 . . . . 1622 L N . 17287 1 1615 . 1 1 135 135 ALA H H 1 6.923 0.004 . 1 . . . . 1623 A HN . 17287 1 1616 . 1 1 135 135 ALA HA H 1 4.472 0.004 . 1 . . . . 1623 A HA . 17287 1 1617 . 1 1 135 135 ALA HB1 H 1 1.048 0.005 . 1 . . . . 1623 A HB1 . 17287 1 1618 . 1 1 135 135 ALA HB2 H 1 1.048 0.005 . 1 . . . . 1623 A HB2 . 17287 1 1619 . 1 1 135 135 ALA HB3 H 1 1.048 0.005 . 1 . . . . 1623 A HB3 . 17287 1 1620 . 1 1 135 135 ALA C C 13 174.557 0.000 . 1 . . . . 1623 A C . 17287 1 1621 . 1 1 135 135 ALA CA C 13 50.628 0.094 . 1 . . . . 1623 A CA . 17287 1 1622 . 1 1 135 135 ALA CB C 13 18.177 0.063 . 1 . . . . 1623 A CB . 17287 1 1623 . 1 1 135 135 ALA N N 15 117.182 0.087 . 1 . . . . 1623 A N . 17287 1 1624 . 1 1 136 136 CYS H H 1 7.511 0.004 . 1 . . . . 1624 C HN . 17287 1 1625 . 1 1 136 136 CYS HA H 1 4.779 0.010 . 1 . . . . 1624 C HA . 17287 1 1626 . 1 1 136 136 CYS HB2 H 1 3.163 0.004 . 2 . . . . 1624 C HB1 . 17287 1 1627 . 1 1 136 136 CYS HB3 H 1 3.009 0.010 . 2 . . . . 1624 C HB2 . 17287 1 1628 . 1 1 136 136 CYS C C 13 173.489 0.000 . 1 . . . . 1624 C C . 17287 1 1629 . 1 1 136 136 CYS CA C 13 52.803 0.051 . 1 . . . . 1624 C CA . 17287 1 1630 . 1 1 136 136 CYS CB C 13 41.336 0.089 . 1 . . . . 1624 C CB . 17287 1 1631 . 1 1 136 136 CYS N N 15 117.883 0.113 . 1 . . . . 1624 C N . 17287 1 1632 . 1 1 137 137 GLU H H 1 8.853 0.005 . 1 . . . . 1625 E HN . 17287 1 1633 . 1 1 137 137 GLU HA H 1 3.176 0.005 . 1 . . . . 1625 E HA . 17287 1 1634 . 1 1 137 137 GLU HB2 H 1 1.545 0.003 . 2 . . . . 1625 E HB1 . 17287 1 1635 . 1 1 137 137 GLU HB3 H 1 1.459 0.007 . 2 . . . . 1625 E HB2 . 17287 1 1636 . 1 1 137 137 GLU HG2 H 1 1.526 0.012 . 2 . . . . 1625 E HG1 . 17287 1 1637 . 1 1 137 137 GLU HG3 H 1 1.349 0.005 . 2 . . . . 1625 E HG2 . 17287 1 1638 . 1 1 137 137 GLU C C 13 175.226 0.000 . 1 . . . . 1625 E C . 17287 1 1639 . 1 1 137 137 GLU CA C 13 55.367 0.089 . 1 . . . . 1625 E CA . 17287 1 1640 . 1 1 137 137 GLU CB C 13 28.694 0.023 . 1 . . . . 1625 E CB . 17287 1 1641 . 1 1 137 137 GLU CG C 13 35.538 0.104 . 1 . . . . 1625 E CG . 17287 1 1642 . 1 1 137 137 GLU N N 15 125.707 0.091 . 1 . . . . 1625 E N . 17287 1 1643 . 1 1 138 138 GLN H H 1 6.632 0.004 . 1 . . . . 1626 Q HN . 17287 1 1644 . 1 1 138 138 GLN HA H 1 4.287 0.008 . 1 . . . . 1626 Q HA . 17287 1 1645 . 1 1 138 138 GLN HB2 H 1 2.005 0.005 . 2 . . . . 1626 Q HB1 . 17287 1 1646 . 1 1 138 138 GLN HB3 H 1 1.865 0.007 . 2 . . . . 1626 Q HB2 . 17287 1 1647 . 1 1 138 138 GLN HG2 H 1 2.234 0.003 . 2 . . . . 1626 Q HG1 . 17287 1 1648 . 1 1 138 138 GLN HG3 H 1 2.226 0.002 . 2 . . . . 1626 Q HG2 . 17287 1 1649 . 1 1 138 138 GLN HE21 H 1 6.802 0.008 . 2 . . . . 1626 Q HE21 . 17287 1 1650 . 1 1 138 138 GLN HE22 H 1 7.456 0.005 . 2 . . . . 1626 Q HE22 . 17287 1 1651 . 1 1 138 138 GLN C C 13 175.031 0.000 . 1 . . . . 1626 Q C . 17287 1 1652 . 1 1 138 138 GLN CA C 13 54.554 0.076 . 1 . . . . 1626 Q CA . 17287 1 1653 . 1 1 138 138 GLN CB C 13 29.675 0.118 . 1 . . . . 1626 Q CB . 17287 1 1654 . 1 1 138 138 GLN CG C 13 32.934 0.130 . 1 . . . . 1626 Q CG . 17287 1 1655 . 1 1 138 138 GLN CD C 13 180.403 0.005 . 1 . . . . 1626 Q CD . 17287 1 1656 . 1 1 138 138 GLN N N 15 122.433 0.078 . 1 . . . . 1626 Q N . 17287 1 1657 . 1 1 138 138 GLN NE2 N 15 112.702 0.213 . 1 . . . . 1626 Q NE2 . 17287 1 1658 . 1 1 139 139 GLU H H 1 8.501 0.006 . 1 . . . . 1627 E HN . 17287 1 1659 . 1 1 139 139 GLU HA H 1 4.254 0.005 . 1 . . . . 1627 E HA . 17287 1 1660 . 1 1 139 139 GLU HB2 H 1 2.000 0.004 . 2 . . . . 1627 E HB1 . 17287 1 1661 . 1 1 139 139 GLU HB3 H 1 1.873 0.005 . 2 . . . . 1627 E HB2 . 17287 1 1662 . 1 1 139 139 GLU HG2 H 1 2.238 0.000 . 2 . . . . 1627 E HG1 . 17287 1 1663 . 1 1 139 139 GLU HG3 H 1 2.229 0.005 . 2 . . . . 1627 E HG2 . 17287 1 1664 . 1 1 139 139 GLU C C 13 175.569 0.000 . 1 . . . . 1627 E C . 17287 1 1665 . 1 1 139 139 GLU CA C 13 56.260 0.086 . 1 . . . . 1627 E CA . 17287 1 1666 . 1 1 139 139 GLU CB C 13 29.686 0.127 . 1 . . . . 1627 E CB . 17287 1 1667 . 1 1 139 139 GLU CG C 13 35.386 0.048 . 1 . . . . 1627 E CG . 17287 1 1668 . 1 1 139 139 GLU N N 15 124.141 0.111 . 1 . . . . 1627 E N . 17287 1 1669 . 1 1 140 140 VAL H H 1 7.783 0.004 . 1 . . . . 1628 V HN . 17287 1 1670 . 1 1 140 140 VAL HA H 1 4.008 0.002 . 1 . . . . 1628 V HA . 17287 1 1671 . 1 1 140 140 VAL HB H 1 2.015 0.000 . 1 . . . . 1628 V HB . 17287 1 1672 . 1 1 140 140 VAL HG11 H 1 0.841 0.000 . 2 . . . . 1628 V HG11 . 17287 1 1673 . 1 1 140 140 VAL HG12 H 1 0.841 0.000 . 2 . . . . 1628 V HG12 . 17287 1 1674 . 1 1 140 140 VAL HG13 H 1 0.841 0.000 . 2 . . . . 1628 V HG13 . 17287 1 1675 . 1 1 140 140 VAL HG21 H 1 0.846 0.000 . 2 . . . . 1628 V HG21 . 17287 1 1676 . 1 1 140 140 VAL HG22 H 1 0.846 0.000 . 2 . . . . 1628 V HG22 . 17287 1 1677 . 1 1 140 140 VAL HG23 H 1 0.846 0.000 . 2 . . . . 1628 V HG23 . 17287 1 1678 . 1 1 140 140 VAL CA C 13 63.088 0.053 . 1 . . . . 1628 V CA . 17287 1 1679 . 1 1 140 140 VAL CB C 13 32.834 0.000 . 1 . . . . 1628 V CB . 17287 1 1680 . 1 1 140 140 VAL N N 15 126.279 0.053 . 1 . . . . 1628 V N . 17287 1 stop_ save_