################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19356 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $NChi2_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-1H NOESY' 1 $sample_NChi2 isotropic 19356 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 2 2 PRO HA H 1 4.256 0.004 . 1 . 46 . . 2 PRO HA . 19356 1 2 . 1 1 2 2 PRO HB2 H 1 1.774 0.004 . 1 . 51 . . 2 PRO HB2 . 19356 1 3 . 1 1 2 2 PRO HB3 H 1 2.161 0.007 . 1 . 49 . . 2 PRO HB3 . 19356 1 4 . 1 1 2 2 PRO HG2 H 1 1.901 0.003 . 1 . 50 . . 2 PRO HG2 . 19356 1 5 . 1 1 2 2 PRO HD2 H 1 3.678 0.004 . 1 . 47 . . 2 PRO HD2 . 19356 1 6 . 1 1 2 2 PRO HD3 H 1 3.513 0.002 . 1 . 48 . . 2 PRO HD3 . 19356 1 7 . 1 1 2 2 PRO C C 13 176.739 0.0893 . 1 . 504 . . 2 PRO C . 19356 1 8 . 1 1 2 2 PRO CA C 13 63.557 0.0893 . 1 . 612 . . 2 PRO CA . 19356 1 9 . 1 1 2 2 PRO CB C 13 32.070 0.074 . 1 . 613 . . 2 PRO CB . 19356 1 10 . 1 1 2 2 PRO CG C 13 27.448 0.0893 . 1 . 811 . . 2 PRO CG . 19356 1 11 . 1 1 2 2 PRO CD C 13 50.592 0.009 . 1 . 810 . . 2 PRO CD . 19356 1 12 . 1 1 3 3 ALA H H 1 8.084 0.006 . 1 . 237 . . 3 ALA H . 19356 1 13 . 1 1 3 3 ALA HA H 1 4.117 0.003 . 1 . 614 . . 3 ALA HA . 19356 1 14 . 1 1 3 3 ALA HB1 H 1 1.243 0.003 . 1 . 615 . . 3 ALA HB1 . 19356 1 15 . 1 1 3 3 ALA HB2 H 1 1.243 0.003 . 1 . 615 . . 3 ALA HB2 . 19356 1 16 . 1 1 3 3 ALA HB3 H 1 1.243 0.003 . 1 . 615 . . 3 ALA HB3 . 19356 1 17 . 1 1 3 3 ALA C C 13 177.678 0.0893 . 1 . 519 . . 3 ALA C . 19356 1 18 . 1 1 3 3 ALA CA C 13 52.746 0.059 . 1 . 505 . . 3 ALA CA . 19356 1 19 . 1 1 3 3 ALA CB C 13 19.218 0.075 . 1 . 506 . . 3 ALA CB . 19356 1 20 . 1 1 3 3 ALA N N 15 124.308 0.026 . 1 . 238 . . 3 ALA N . 19356 1 21 . 1 1 4 4 ALA H H 1 7.977 0.006 . 1 . 287 . . 4 ALA H . 19356 1 22 . 1 1 4 4 ALA HA H 1 4.132 0.005 . 1 . 617 . . 4 ALA HA . 19356 1 23 . 1 1 4 4 ALA HB1 H 1 1.252 0.006 . 1 . 616 . . 4 ALA HB1 . 19356 1 24 . 1 1 4 4 ALA HB2 H 1 1.252 0.006 . 1 . 616 . . 4 ALA HB2 . 19356 1 25 . 1 1 4 4 ALA HB3 H 1 1.252 0.006 . 1 . 616 . . 4 ALA HB3 . 19356 1 26 . 1 1 4 4 ALA C C 13 177.789 0.0893 . 1 . 669 . . 4 ALA C . 19356 1 27 . 1 1 4 4 ALA CA C 13 52.751 0.053 . 1 . 521 . . 4 ALA CA . 19356 1 28 . 1 1 4 4 ALA CB C 13 19.165 0.009 . 1 . 520 . . 4 ALA CB . 19356 1 29 . 1 1 4 4 ALA N N 15 122.774 0.016 . 1 . 288 . . 4 ALA N . 19356 1 30 . 1 1 5 5 MET H H 1 7.968 0.007 . 1 . 203 . . 5 MET H . 19356 1 31 . 1 1 5 5 MET HA H 1 4.297 0.006 . 1 . 204 . . 5 MET HA . 19356 1 32 . 1 1 5 5 MET HB2 H 1 1.858 0.003 . 1 . 207 . . 5 MET HB2 . 19356 1 33 . 1 1 5 5 MET HB3 H 1 1.945 0.003 . 1 . 208 . . 5 MET HB3 . 19356 1 34 . 1 1 5 5 MET HG2 H 1 2.392 0.003 . 1 . 205 . . 5 MET HG2 . 19356 1 35 . 1 1 5 5 MET HG3 H 1 2.461 0.004 . 1 . 206 . . 5 MET HG3 . 19356 1 36 . 1 1 5 5 MET C C 13 176.171 0.0893 . 1 . 670 . . 5 MET C . 19356 1 37 . 1 1 5 5 MET CA C 13 55.745 0.05 . 1 . 642 . . 5 MET CA . 19356 1 38 . 1 1 5 5 MET CB C 13 33.071 0.062 . 1 . 641 . . 5 MET CB . 19356 1 39 . 1 1 5 5 MET CG C 13 32.141 0.005 . 1 . 812 . . 5 MET CG . 19356 1 40 . 1 1 5 5 MET N N 15 118.995 0.032 . 1 . 282 . . 5 MET N . 19356 1 41 . 1 1 6 6 GLU H H 1 8.013 0.006 . 1 . 233 . . 6 GLU H . 19356 1 42 . 1 1 6 6 GLU HA H 1 4.227 0.0 . 1 . 675 . . 6 GLU HA . 19356 1 43 . 1 1 6 6 GLU HB2 H 1 1.849 0.004 . 1 . 673 . . 6 GLU HB2 . 19356 1 44 . 1 1 6 6 GLU HB3 H 1 1.964 0.005 . 1 . 672 . . 6 GLU HB3 . 19356 1 45 . 1 1 6 6 GLU HG3 H 1 2.305 0.021 . 1 . 671 . . 6 GLU HG3 . 19356 1 46 . 1 1 6 6 GLU C C 13 175.711 0.0893 . 1 . 666 . . 6 GLU C . 19356 1 47 . 1 1 6 6 GLU CA C 13 55.787 0.0893 . 1 . 668 . . 6 GLU CA . 19356 1 48 . 1 1 6 6 GLU CB C 13 28.868 0.075 . 1 . 667 . . 6 GLU CB . 19356 1 49 . 1 1 6 6 GLU CG C 13 32.802 0.0893 . 1 . 813 . . 6 GLU CG . 19356 1 50 . 1 1 6 6 GLU N N 15 121.352 0.032 . 1 . 234 . . 6 GLU N . 19356 1 51 . 1 1 7 7 ARG H H 1 8.050 0.006 . 1 . 280 . . 7 ARG H . 19356 1 52 . 1 1 7 7 ARG HA H 1 4.192 0.006 . 1 . 45 . . 7 ARG HA . 19356 1 53 . 1 1 7 7 ARG HB2 H 1 1.703 0.004 . 1 . 39 . . 7 ARG HB2 . 19356 1 54 . 1 1 7 7 ARG HB3 H 1 1.619 0.003 . 1 . 40 . . 7 ARG HB3 . 19356 1 55 . 1 1 7 7 ARG HG2 H 1 1.484 0.014 . 1 . 41 . . 7 ARG HG2 . 19356 1 56 . 1 1 7 7 ARG HG3 H 1 1.479 0.013 . 1 . 42 . . 7 ARG HG3 . 19356 1 57 . 1 1 7 7 ARG HD2 H 1 3.059 0.004 . 1 . 43 . . 7 ARG HD2 . 19356 1 58 . 1 1 7 7 ARG HD3 H 1 3.059 0.004 . 1 . 44 . . 7 ARG HD3 . 19356 1 59 . 1 1 7 7 ARG HE H 1 6.993 0.005 . 1 . 369 . . 7 ARG HE . 19356 1 60 . 1 1 7 7 ARG C C 13 175.850 0.0893 . 1 . 493 . . 7 ARG C . 19356 1 61 . 1 1 7 7 ARG CA C 13 56.118 0.096 . 1 . 664 . . 7 ARG CA . 19356 1 62 . 1 1 7 7 ARG CB C 13 30.964 0.113 . 1 . 665 . . 7 ARG CB . 19356 1 63 . 1 1 7 7 ARG CG C 13 27.125 0.012 . 1 . 609 . . 7 ARG CG . 19356 1 64 . 1 1 7 7 ARG CD C 13 43.493 0.063 . 1 . 608 . . 7 ARG CD . 19356 1 65 . 1 1 7 7 ARG CZ C 13 159.613 0.0893 . 1 . 760 . . 7 ARG CZ . 19356 1 66 . 1 1 7 7 ARG N N 15 122.202 0.052 . 1 . 281 . . 7 ARG N . 19356 1 67 . 1 1 7 7 ARG NE N 15 117.238 0.0 . 1 . 213 . . 7 ARG NE . 19356 1 68 . 1 1 8 8 GLN H H 1 8.156 0.005 . 1 . 244 . . 8 GLN H . 19356 1 69 . 1 1 8 8 GLN HA H 1 4.256 0.002 . 1 . 660 . . 8 GLN HA . 19356 1 70 . 1 1 8 8 GLN HB2 H 1 1.827 0.002 . 1 . 662 . . 8 GLN HB2 . 19356 1 71 . 1 1 8 8 GLN HB3 H 1 1.928 0.009 . 1 . 676 . . 8 GLN HB3 . 19356 1 72 . 1 1 8 8 GLN HG3 H 1 2.203 0.002 . 1 . 661 . . 8 GLN HG3 . 19356 1 73 . 1 1 8 8 GLN HE21 H 1 6.608 0.005 . 1 . 805 . . 8 GLN HE21 . 19356 1 74 . 1 1 8 8 GLN HE22 H 1 7.256 0.002 . 1 . 803 . . 8 GLN HE22 . 19356 1 75 . 1 1 8 8 GLN C C 13 175.541 0.0893 . 1 . 755 . . 8 GLN C . 19356 1 76 . 1 1 8 8 GLN CA C 13 55.737 0.046 . 1 . 663 . . 8 GLN CA . 19356 1 77 . 1 1 8 8 GLN CB C 13 29.663 0.106 . 1 . 494 . . 8 GLN CB . 19356 1 78 . 1 1 8 8 GLN CG C 13 34.071 0.066 . 1 . 802 . . 8 GLN CG . 19356 1 79 . 1 1 8 8 GLN CD C 13 180.472 0.0893 . 1 . 808 . . 8 GLN CD . 19356 1 80 . 1 1 8 8 GLN N N 15 122.162 0.048 . 1 . 245 . . 8 GLN N . 19356 1 81 . 1 1 8 8 GLN NE2 N 15 111.510 0.022 . 1 . 804 . . 8 GLN NE2 . 19356 1 82 . 1 1 9 9 VAL H H 1 8.026 0.009 . 1 . 349 . . 9 VAL H . 19356 1 83 . 1 1 9 9 VAL HA H 1 4.301 0.004 . 1 . 773 . . 9 VAL HA . 19356 1 84 . 1 1 9 9 VAL HB H 1 1.970 0.001 . 1 . 771 . . 9 VAL HB . 19356 1 85 . 1 1 9 9 VAL HG11 H 1 0.862 0.001 . 1 . 772 . . 9 VAL HG11 . 19356 1 86 . 1 1 9 9 VAL HG12 H 1 0.862 0.001 . 1 . 772 . . 9 VAL HG12 . 19356 1 87 . 1 1 9 9 VAL HG13 H 1 0.862 0.001 . 1 . 772 . . 9 VAL HG13 . 19356 1 88 . 1 1 9 9 VAL HG21 H 1 0.815 0.012 . 1 . 756 . . 9 VAL HG21 . 19356 1 89 . 1 1 9 9 VAL HG22 H 1 0.815 0.012 . 1 . 756 . . 9 VAL HG22 . 19356 1 90 . 1 1 9 9 VAL HG23 H 1 0.815 0.012 . 1 . 756 . . 9 VAL HG23 . 19356 1 91 . 1 1 9 9 VAL CA C 13 59.805 0.0893 . 1 . 510 . . 9 VAL CA . 19356 1 92 . 1 1 9 9 VAL CB C 13 32.620 0.0893 . 1 . 511 . . 9 VAL CB . 19356 1 93 . 1 1 9 9 VAL CG1 C 13 21.169 0.0893 . 1 . 814 . . 9 VAL CG1 . 19356 1 94 . 1 1 9 9 VAL CG2 C 13 21.179 0.0893 . 1 . 815 . . 9 VAL CG2 . 19356 1 95 . 1 1 9 9 VAL N N 15 123.284 0.04 . 1 . 350 . . 9 VAL N . 19356 1 96 . 1 1 10 10 PRO HA H 1 4.307 0.00493 . 1 . 801 . . 10 PRO HA . 19356 1 97 . 1 1 10 10 PRO C C 13 176.288 0.0893 . 1 . 753 . . 10 PRO C . 19356 1 98 . 1 1 10 10 PRO CA C 13 63.098 0.0893 . 1 . 752 . . 10 PRO CA . 19356 1 99 . 1 1 10 10 PRO CB C 13 32.269 0.0893 . 1 . 751 . . 10 PRO CB . 19356 1 100 . 1 1 11 11 TYR H H 1 8.134 0.008 . 1 . 312 . . 11 TYR H . 19356 1 101 . 1 1 11 11 TYR HA H 1 4.488 0.002 . 1 . 748 . . 11 TYR HA . 19356 1 102 . 1 1 11 11 TYR HB2 H 1 3.013 0.005 . 1 . 749 . . 11 TYR HB2 . 19356 1 103 . 1 1 11 11 TYR HB3 H 1 2.502 0.004 . 1 . 750 . . 11 TYR HB3 . 19356 1 104 . 1 1 11 11 TYR HD1 H 1 6.837 0.002 . 3 . 778 . . 11 TYR HD1 . 19356 1 105 . 1 1 11 11 TYR HD2 H 1 6.837 0.002 . 3 . 778 . . 11 TYR HD2 . 19356 1 106 . 1 1 11 11 TYR HE1 H 1 6.455 0.002 . 3 . 779 . . 11 TYR HE1 . 19356 1 107 . 1 1 11 11 TYR HE2 H 1 6.455 0.002 . 3 . 779 . . 11 TYR HE2 . 19356 1 108 . 1 1 11 11 TYR C C 13 174.903 0.0893 . 1 . 754 . . 11 TYR C . 19356 1 109 . 1 1 11 11 TYR CA C 13 57.812 0.133 . 1 . 496 . . 11 TYR CA . 19356 1 110 . 1 1 11 11 TYR CB C 13 39.399 0.16 . 1 . 497 . . 11 TYR CB . 19356 1 111 . 1 1 11 11 TYR N N 15 122.318 0.024 . 1 . 313 . . 11 TYR N . 19356 1 112 . 1 1 12 12 THR H H 1 7.769 0.007 . 1 . 276 . . 12 THR H . 19356 1 113 . 1 1 12 12 THR HA H 1 4.277 0.004 . 1 . 620 . . 12 THR HA . 19356 1 114 . 1 1 12 12 THR HB H 1 3.811 0.002 . 1 . 621 . . 12 THR HB . 19356 1 115 . 1 1 12 12 THR HG21 H 1 0.966 0.004 . 1 . 619 . . 12 THR HG21 . 19356 1 116 . 1 1 12 12 THR HG22 H 1 0.966 0.004 . 1 . 619 . . 12 THR HG22 . 19356 1 117 . 1 1 12 12 THR HG23 H 1 0.966 0.004 . 1 . 619 . . 12 THR HG23 . 19356 1 118 . 1 1 12 12 THR CB C 13 70.106 0.0893 . 1 . 618 . . 12 THR CB . 19356 1 119 . 1 1 12 12 THR N N 15 124.343 0.057 . 1 . 277 . . 12 THR N . 19356 1 120 . 1 1 13 13 PRO HA H 1 4.605 0.001 . 1 . 826 . . 13 PRO HA . 19356 1 121 . 1 1 13 13 PRO HB2 H 1 2.069 0.002 . 1 . 677 . . 13 PRO HB2 . 19356 1 122 . 1 1 13 13 PRO HG2 H 1 1.744 0.006 . 1 . 784 . . 13 PRO HG2 . 19356 1 123 . 1 1 13 13 PRO HG3 H 1 1.875 0.013 . 1 . 658 . . 13 PRO HG3 . 19356 1 124 . 1 1 13 13 PRO HD2 H 1 3.598 0.002 . 1 . 825 . . 13 PRO HD2 . 19356 1 125 . 1 1 13 13 PRO HD3 H 1 3.865 0.003 . 1 . 657 . . 13 PRO HD3 . 19356 1 126 . 1 1 13 13 PRO C C 13 176.545 0.0893 . 1 . 546 . . 13 PRO C . 19356 1 127 . 1 1 13 13 PRO CA C 13 64.231 0.0893 . 1 . 544 . . 13 PRO CA . 19356 1 128 . 1 1 13 13 PRO CB C 13 32.348 0.0893 . 1 . 545 . . 13 PRO CB . 19356 1 129 . 1 1 14 14 CYS H H 1 7.182 0.006 . 1 . 32 . . 14 CYS H . 19356 1 130 . 1 1 14 14 CYS HA H 1 5.007 0.004 . 1 . 33 . . 14 CYS HA . 19356 1 131 . 1 1 14 14 CYS HB2 H 1 3.751 0.005 . 1 . 34 . . 14 CYS HB2 . 19356 1 132 . 1 1 14 14 CYS HB3 H 1 2.204 0.003 . 1 . 35 . . 14 CYS HB3 . 19356 1 133 . 1 1 14 14 CYS C C 13 172.953 0.0893 . 1 . 495 . . 14 CYS C . 19356 1 134 . 1 1 14 14 CYS CA C 13 52.295 0.132 . 1 . 536 . . 14 CYS CA . 19356 1 135 . 1 1 14 14 CYS CB C 13 41.050 0.072 . 1 . 537 . . 14 CYS CB . 19356 1 136 . 1 1 14 14 CYS N N 15 113.830 0.025 . 1 . 518 . . 14 CYS N . 19356 1 137 . 1 1 15 15 SER H H 1 8.142 0.004 . 1 . 109 . . 15 SER H . 19356 1 138 . 1 1 15 15 SER HA H 1 4.482 0.006 . 1 . 174 . . 15 SER HA . 19356 1 139 . 1 1 15 15 SER HB2 H 1 3.644 0.001 . 1 . 110 . . 15 SER HB2 . 19356 1 140 . 1 1 15 15 SER C C 13 172.919 0.0893 . 1 . 432 . . 15 SER C . 19356 1 141 . 1 1 15 15 SER CA C 13 57.625 0.13 . 1 . 434 . . 15 SER CA . 19356 1 142 . 1 1 15 15 SER CB C 13 65.585 0.132 . 1 . 435 . . 15 SER CB . 19356 1 143 . 1 1 15 15 SER N N 15 115.565 0.018 . 1 . 321 . . 15 SER N . 19356 1 144 . 1 1 16 16 GLY H H 1 8.403 0.004 . 1 . 96 . . 16 GLY H . 19356 1 145 . 1 1 16 16 GLY HA2 H 1 3.841 0.003 . 1 . 99 . . 16 GLY HA2 . 19356 1 146 . 1 1 16 16 GLY HA3 H 1 3.532 0.002 . 1 . 98 . . 16 GLY HA3 . 19356 1 147 . 1 1 16 16 GLY C C 13 174.306 0.0893 . 1 . 682 . . 16 GLY C . 19356 1 148 . 1 1 16 16 GLY CA C 13 45.575 0.12 . 1 . 433 . . 16 GLY CA . 19356 1 149 . 1 1 16 16 GLY N N 15 109.411 0.031 . 1 . 97 . . 16 GLY N . 19356 1 150 . 1 1 17 17 LEU H H 1 8.205 0.004 . 1 . 678 . . 17 LEU H . 19356 1 151 . 1 1 17 17 LEU HA H 1 3.800 0.003 . 1 . 683 . . 17 LEU HA . 19356 1 152 . 1 1 17 17 LEU HB2 H 1 1.244 0.006 . 1 . 767 . . 17 LEU HB2 . 19356 1 153 . 1 1 17 17 LEU HB3 H 1 1.383 0.003 . 1 . 766 . . 17 LEU HB3 . 19356 1 154 . 1 1 17 17 LEU HG H 1 1.212 0.013 . 1 . 768 . . 17 LEU HG . 19356 1 155 . 1 1 17 17 LEU HD11 H 1 0.641 0.002 . 1 . 770 . . 17 LEU HD11 . 19356 1 156 . 1 1 17 17 LEU HD12 H 1 0.641 0.002 . 1 . 770 . . 17 LEU HD12 . 19356 1 157 . 1 1 17 17 LEU HD13 H 1 0.641 0.002 . 1 . 770 . . 17 LEU HD13 . 19356 1 158 . 1 1 17 17 LEU HD21 H 1 0.698 0.004 . 1 . 769 . . 17 LEU HD21 . 19356 1 159 . 1 1 17 17 LEU HD22 H 1 0.698 0.004 . 1 . 769 . . 17 LEU HD22 . 19356 1 160 . 1 1 17 17 LEU HD23 H 1 0.698 0.004 . 1 . 769 . . 17 LEU HD23 . 19356 1 161 . 1 1 17 17 LEU C C 13 178.032 0.0893 . 1 . 686 . . 17 LEU C . 19356 1 162 . 1 1 17 17 LEU CA C 13 57.697 0.113 . 1 . 680 . . 17 LEU CA . 19356 1 163 . 1 1 17 17 LEU CB C 13 42.653 0.064 . 1 . 681 . . 17 LEU CB . 19356 1 164 . 1 1 17 17 LEU N N 15 125.153 0.025 . 1 . 679 . . 17 LEU N . 19356 1 165 . 1 1 18 18 TYR H H 1 7.948 0.012 . 1 . 228 . . 18 TYR H . 19356 1 166 . 1 1 18 18 TYR HA H 1 4.029 0.003 . 1 . 659 . . 18 TYR HA . 19356 1 167 . 1 1 18 18 TYR HB2 H 1 2.725 0.005 . 1 . 684 . . 18 TYR HB2 . 19356 1 168 . 1 1 18 18 TYR HB3 H 1 2.400 0.006 . 1 . 685 . . 18 TYR HB3 . 19356 1 169 . 1 1 18 18 TYR HD1 H 1 6.967 0.003 . 3 . 819 . . 18 TYR HD1 . 19356 1 170 . 1 1 18 18 TYR HD2 H 1 6.967 0.003 . 3 . 819 . . 18 TYR HD2 . 19356 1 171 . 1 1 18 18 TYR HE1 H 1 6.540 0.003 . 3 . 818 . . 18 TYR HE1 . 19356 1 172 . 1 1 18 18 TYR HE2 H 1 6.540 0.003 . 3 . 818 . . 18 TYR HE2 . 19356 1 173 . 1 1 18 18 TYR C C 13 176.640 0.0893 . 1 . 598 . . 18 TYR C . 19356 1 174 . 1 1 18 18 TYR CA C 13 55.625 0.084 . 1 . 538 . . 18 TYR CA . 19356 1 175 . 1 1 18 18 TYR CB C 13 34.988 0.13 . 1 . 597 . . 18 TYR CB . 19356 1 176 . 1 1 18 18 TYR N N 15 118.321 0.016 . 1 . 229 . . 18 TYR N . 19356 1 177 . 1 1 19 19 GLY H H 1 6.773 0.004 . 1 . 100 . . 19 GLY H . 19356 1 178 . 1 1 19 19 GLY HA2 H 1 3.535 0.002 . 1 . 102 . . 19 GLY HA2 . 19356 1 179 . 1 1 19 19 GLY HA3 H 1 3.399 0.008 . 1 . 101 . . 19 GLY HA3 . 19356 1 180 . 1 1 19 19 GLY C C 13 174.659 0.0893 . 1 . 425 . . 19 GLY C . 19356 1 181 . 1 1 19 19 GLY CA C 13 47.060 0.109 . 1 . 577 . . 19 GLY CA . 19356 1 182 . 1 1 19 19 GLY N N 15 105.732 0.046 . 1 . 347 . . 19 GLY N . 19356 1 183 . 1 1 20 20 THR H H 1 8.465 0.008 . 1 . 123 . . 20 THR H . 19356 1 184 . 1 1 20 20 THR HA H 1 4.344 0.004 . 1 . 126 . . 20 THR HA . 19356 1 185 . 1 1 20 20 THR HB H 1 3.797 0.004 . 1 . 125 . . 20 THR HB . 19356 1 186 . 1 1 20 20 THR HG21 H 1 0.980 0.005 . 1 . 124 . . 20 THR HG21 . 19356 1 187 . 1 1 20 20 THR HG22 H 1 0.980 0.005 . 1 . 124 . . 20 THR HG22 . 19356 1 188 . 1 1 20 20 THR HG23 H 1 0.980 0.005 . 1 . 124 . . 20 THR HG23 . 19356 1 189 . 1 1 20 20 THR C C 13 173.926 0.0893 . 1 . 402 . . 20 THR C . 19356 1 190 . 1 1 20 20 THR CA C 13 62.150 0.155 . 1 . 599 . . 20 THR CA . 19356 1 191 . 1 1 20 20 THR CB C 13 70.088 0.0893 . 1 . 600 . . 20 THR CB . 19356 1 192 . 1 1 20 20 THR N N 15 118.084 0.109 . 1 . 311 . . 20 THR N . 19356 1 193 . 1 1 21 21 ALA H H 1 8.698 0.004 . 1 . 84 . . 21 ALA H . 19356 1 194 . 1 1 21 21 ALA HA H 1 4.892 0.002 . 1 . 87 . . 21 ALA HA . 19356 1 195 . 1 1 21 21 ALA HB1 H 1 0.971 0.002 . 1 . 85 . . 21 ALA HB1 . 19356 1 196 . 1 1 21 21 ALA HB2 H 1 0.971 0.002 . 1 . 85 . . 21 ALA HB2 . 19356 1 197 . 1 1 21 21 ALA HB3 H 1 0.971 0.002 . 1 . 85 . . 21 ALA HB3 . 19356 1 198 . 1 1 21 21 ALA C C 13 178.072 0.0893 . 1 . 378 . . 21 ALA C . 19356 1 199 . 1 1 21 21 ALA CA C 13 53.283 0.0893 . 1 . 380 . . 21 ALA CA . 19356 1 200 . 1 1 21 21 ALA CB C 13 19.190 0.0893 . 1 . 379 . . 21 ALA CB . 19356 1 201 . 1 1 21 21 ALA N N 15 133.523 0.033 . 1 . 86 . . 21 ALA N . 19356 1 202 . 1 1 22 22 GLN H H 1 9.276 0.005 . 1 . 59 . . 22 GLN H . 19356 1 203 . 1 1 22 22 GLN HA H 1 4.895 0.004 . 1 . 61 . . 22 GLN HA . 19356 1 204 . 1 1 22 22 GLN HB2 H 1 1.562 0.002 . 1 . 64 . . 22 GLN HB2 . 19356 1 205 . 1 1 22 22 GLN HB3 H 1 1.840 0.003 . 1 . 763 . . 22 GLN HB3 . 19356 1 206 . 1 1 22 22 GLN HG2 H 1 1.911 0.008 . 1 . 63 . . 22 GLN HG2 . 19356 1 207 . 1 1 22 22 GLN HG3 H 1 2.082 0.002 . 1 . 62 . . 22 GLN HG3 . 19356 1 208 . 1 1 22 22 GLN HE21 H 1 7.419 0.007 . 1 . 842 . . 22 GLN HE21 . 19356 1 209 . 1 1 22 22 GLN HE22 H 1 6.706 0.001 . 1 . 843 . . 22 GLN HE22 . 19356 1 210 . 1 1 22 22 GLN C C 13 175.481 0.0893 . 1 . 398 . . 22 GLN C . 19356 1 211 . 1 1 22 22 GLN CA C 13 54.982 0.165 . 1 . 401 . . 22 GLN CA . 19356 1 212 . 1 1 22 22 GLN CB C 13 36.677 0.016 . 1 . 399 . . 22 GLN CB . 19356 1 213 . 1 1 22 22 GLN N N 15 122.431 0.019 . 1 . 60 . . 22 GLN N . 19356 1 214 . 1 1 23 23 CYS H H 1 8.787 0.004 . 1 . 18 . . 23 CYS H . 19356 1 215 . 1 1 23 23 CYS HA H 1 5.431 0.002 . 1 . 17 . . 23 CYS HA . 19356 1 216 . 1 1 23 23 CYS HB2 H 1 2.989 0.007 . 1 . 16 . . 23 CYS HB2 . 19356 1 217 . 1 1 23 23 CYS HB3 H 1 2.630 0.003 . 1 . 15 . . 23 CYS HB3 . 19356 1 218 . 1 1 23 23 CYS C C 13 174.714 0.0893 . 1 . 381 . . 23 CYS C . 19356 1 219 . 1 1 23 23 CYS CA C 13 52.672 0.123 . 1 . 384 . . 23 CYS CA . 19356 1 220 . 1 1 23 23 CYS CB C 13 37.912 0.015 . 1 . 400 . . 23 CYS CB . 19356 1 221 . 1 1 23 23 CYS N N 15 117.286 0.028 . 1 . 254 . . 23 CYS N . 19356 1 222 . 1 1 24 24 CYS H H 1 9.119 0.008 . 1 . 11 . . 24 CYS H . 19356 1 223 . 1 1 24 24 CYS HA H 1 5.671 0.003 . 1 . 12 . . 24 CYS HA . 19356 1 224 . 1 1 24 24 CYS HB2 H 1 2.748 0.005 . 1 . 13 . . 24 CYS HB2 . 19356 1 225 . 1 1 24 24 CYS HB3 H 1 2.566 0.007 . 1 . 14 . . 24 CYS HB3 . 19356 1 226 . 1 1 24 24 CYS C C 13 173.678 0.0893 . 1 . 391 . . 24 CYS C . 19356 1 227 . 1 1 24 24 CYS CA C 13 55.927 0.13 . 1 . 382 . . 24 CYS CA . 19356 1 228 . 1 1 24 24 CYS CB C 13 51.148 0.115 . 1 . 383 . . 24 CYS CB . 19356 1 229 . 1 1 24 24 CYS N N 15 118.287 0.023 . 1 . 70 . . 24 CYS N . 19356 1 230 . 1 1 25 25 ALA H H 1 8.857 0.004 . 1 . 80 . . 25 ALA H . 19356 1 231 . 1 1 25 25 ALA HA H 1 4.631 0.003 . 1 . 83 . . 25 ALA HA . 19356 1 232 . 1 1 25 25 ALA HB1 H 1 1.378 0.004 . 1 . 82 . . 25 ALA HB1 . 19356 1 233 . 1 1 25 25 ALA HB2 H 1 1.378 0.004 . 1 . 82 . . 25 ALA HB2 . 19356 1 234 . 1 1 25 25 ALA HB3 H 1 1.378 0.004 . 1 . 82 . . 25 ALA HB3 . 19356 1 235 . 1 1 25 25 ALA C C 13 176.712 0.0893 . 1 . 456 . . 25 ALA C . 19356 1 236 . 1 1 25 25 ALA CA C 13 50.702 0.183 . 1 . 392 . . 25 ALA CA . 19356 1 237 . 1 1 25 25 ALA CB C 13 21.909 0.032 . 1 . 393 . . 25 ALA CB . 19356 1 238 . 1 1 25 25 ALA N N 15 126.206 0.027 . 1 . 81 . . 25 ALA N . 19356 1 239 . 1 1 26 26 THR H H 1 8.283 0.005 . 1 . 105 . . 26 THR H . 19356 1 240 . 1 1 26 26 THR HA H 1 3.932 0.001 . 1 . 107 . . 26 THR HA . 19356 1 241 . 1 1 26 26 THR HB H 1 4.067 0.002 . 1 . 106 . . 26 THR HB . 19356 1 242 . 1 1 26 26 THR HG21 H 1 1.033 0.007 . 1 . 108 . . 26 THR HG21 . 19356 1 243 . 1 1 26 26 THR HG22 H 1 1.033 0.007 . 1 . 108 . . 26 THR HG22 . 19356 1 244 . 1 1 26 26 THR HG23 H 1 1.033 0.007 . 1 . 108 . . 26 THR HG23 . 19356 1 245 . 1 1 26 26 THR C C 13 173.902 0.0893 . 1 . 502 . . 26 THR C . 19356 1 246 . 1 1 26 26 THR CA C 13 63.575 0.135 . 1 . 458 . . 26 THR CA . 19356 1 247 . 1 1 26 26 THR CB C 13 69.358 0.031 . 1 . 457 . . 26 THR CB . 19356 1 248 . 1 1 26 26 THR N N 15 115.402 0.022 . 1 . 252 . . 26 THR N . 19356 1 249 . 1 1 27 27 ASP H H 1 8.092 0.006 . 1 . 235 . . 27 ASP H . 19356 1 250 . 1 1 27 27 ASP HA H 1 4.603 0.004 . 1 . 541 . . 27 ASP HA . 19356 1 251 . 1 1 27 27 ASP HB2 H 1 2.768 0.012 . 1 . 543 . . 27 ASP HB2 . 19356 1 252 . 1 1 27 27 ASP HB3 H 1 2.426 0.009 . 1 . 542 . . 27 ASP HB3 . 19356 1 253 . 1 1 27 27 ASP C C 13 175.654 0.0893 . 1 . 690 . . 27 ASP C . 19356 1 254 . 1 1 27 27 ASP CA C 13 52.456 0.0893 . 1 . 540 . . 27 ASP CA . 19356 1 255 . 1 1 27 27 ASP CB C 13 38.865 0.0893 . 1 . 503 . . 27 ASP CB . 19356 1 256 . 1 1 27 27 ASP N N 15 123.233 0.04 . 1 . 236 . . 27 ASP N . 19356 1 257 . 1 1 28 28 VAL H H 1 8.082 0.007 . 1 . 263 . . 28 VAL H . 19356 1 258 . 1 1 28 28 VAL HA H 1 3.886 0.002 . 1 . 687 . . 28 VAL HA . 19356 1 259 . 1 1 28 28 VAL HB H 1 2.032 0.005 . 1 . 688 . . 28 VAL HB . 19356 1 260 . 1 1 28 28 VAL HG11 H 1 0.808 0.002 . 1 . 689 . . 28 VAL HG11 . 19356 1 261 . 1 1 28 28 VAL HG12 H 1 0.808 0.002 . 1 . 689 . . 28 VAL HG12 . 19356 1 262 . 1 1 28 28 VAL HG13 H 1 0.808 0.002 . 1 . 689 . . 28 VAL HG13 . 19356 1 263 . 1 1 28 28 VAL C C 13 176.171 0.0893 . 1 . 693 . . 28 VAL C . 19356 1 264 . 1 1 28 28 VAL CA C 13 63.755 0.1 . 1 . 692 . . 28 VAL CA . 19356 1 265 . 1 1 28 28 VAL CB C 13 31.910 0.027 . 1 . 691 . . 28 VAL CB . 19356 1 266 . 1 1 28 28 VAL N N 15 121.843 0.046 . 1 . 264 . . 28 VAL N . 19356 1 267 . 1 1 29 29 LEU H H 1 7.661 0.023 . 1 . 367 . . 29 LEU H . 19356 1 268 . 1 1 29 29 LEU HA H 1 4.205 0.004 . 1 . 694 . . 29 LEU HA . 19356 1 269 . 1 1 29 29 LEU HB2 H 1 1.580 0.003 . 1 . 698 . . 29 LEU HB2 . 19356 1 270 . 1 1 29 29 LEU HG H 1 1.473 0.002 . 1 . 697 . . 29 LEU HG . 19356 1 271 . 1 1 29 29 LEU HD11 H 1 0.722 0.001 . 1 . 849 . . 29 LEU HD11 . 19356 1 272 . 1 1 29 29 LEU HD12 H 1 0.722 0.001 . 1 . 849 . . 29 LEU HD12 . 19356 1 273 . 1 1 29 29 LEU HD13 H 1 0.722 0.001 . 1 . 849 . . 29 LEU HD13 . 19356 1 274 . 1 1 29 29 LEU HD21 H 1 0.769 0.008 . 1 . 696 . . 29 LEU HD21 . 19356 1 275 . 1 1 29 29 LEU HD22 H 1 0.769 0.008 . 1 . 696 . . 29 LEU HD22 . 19356 1 276 . 1 1 29 29 LEU HD23 H 1 0.769 0.008 . 1 . 696 . . 29 LEU HD23 . 19356 1 277 . 1 1 29 29 LEU C C 13 177.427 0.0893 . 1 . 695 . . 29 LEU C . 19356 1 278 . 1 1 29 29 LEU CA C 13 55.411 0.124 . 1 . 575 . . 29 LEU CA . 19356 1 279 . 1 1 29 29 LEU CB C 13 42.213 0.055 . 1 . 576 . . 29 LEU CB . 19356 1 280 . 1 1 29 29 LEU N N 15 121.180 0.018 . 1 . 368 . . 29 LEU N . 19356 1 281 . 1 1 30 30 GLY H H 1 7.605 0.015 . 1 . 304 . . 30 GLY H . 19356 1 282 . 1 1 30 30 GLY HA2 H 1 3.870 0.001 . 1 . 703 . . 30 GLY HA2 . 19356 1 283 . 1 1 30 30 GLY HA3 H 1 3.805 0.002 . 1 . 704 . . 30 GLY HA3 . 19356 1 284 . 1 1 30 30 GLY C C 13 173.726 0.0893 . 1 . 699 . . 30 GLY C . 19356 1 285 . 1 1 30 30 GLY CA C 13 45.634 0.017 . 1 . 530 . . 30 GLY CA . 19356 1 286 . 1 1 30 30 GLY N N 15 108.466 0.027 . 1 . 305 . . 30 GLY N . 19356 1 287 . 1 1 31 31 VAL H H 1 7.654 0.01 . 1 . 257 . . 31 VAL H . 19356 1 288 . 1 1 31 31 VAL HA H 1 3.962 0.005 . 1 . 702 . . 31 VAL HA . 19356 1 289 . 1 1 31 31 VAL HB H 1 1.978 0.003 . 1 . 705 . . 31 VAL HB . 19356 1 290 . 1 1 31 31 VAL HG11 H 1 0.777 0.003 . 1 . 706 . . 31 VAL HG11 . 19356 1 291 . 1 1 31 31 VAL HG12 H 1 0.777 0.003 . 1 . 706 . . 31 VAL HG12 . 19356 1 292 . 1 1 31 31 VAL HG13 H 1 0.777 0.003 . 1 . 706 . . 31 VAL HG13 . 19356 1 293 . 1 1 31 31 VAL C C 13 175.940 0.0893 . 1 . 485 . . 31 VAL C . 19356 1 294 . 1 1 31 31 VAL CA C 13 62.743 0.02 . 1 . 700 . . 31 VAL CA . 19356 1 295 . 1 1 31 31 VAL CB C 13 32.553 0.065 . 1 . 701 . . 31 VAL CB . 19356 1 296 . 1 1 31 31 VAL N N 15 118.668 0.029 . 1 . 258 . . 31 VAL N . 19356 1 297 . 1 1 32 32 ALA H H 1 8.182 0.007 . 1 . 247 . . 32 ALA H . 19356 1 298 . 1 1 32 32 ALA HA H 1 4.163 0.002 . 1 . 708 . . 32 ALA HA . 19356 1 299 . 1 1 32 32 ALA HB1 H 1 1.241 0.006 . 1 . 707 . . 32 ALA HB1 . 19356 1 300 . 1 1 32 32 ALA HB2 H 1 1.241 0.006 . 1 . 707 . . 32 ALA HB2 . 19356 1 301 . 1 1 32 32 ALA HB3 H 1 1.241 0.006 . 1 . 707 . . 32 ALA HB3 . 19356 1 302 . 1 1 32 32 ALA C C 13 176.104 0.0893 . 1 . 712 . . 32 ALA C . 19356 1 303 . 1 1 32 32 ALA CA C 13 52.852 0.0893 . 1 . 486 . . 32 ALA CA . 19356 1 304 . 1 1 32 32 ALA CB C 13 18.483 0.013 . 1 . 487 . . 32 ALA CB . 19356 1 305 . 1 1 32 32 ALA N N 15 125.207 0.013 . 1 . 248 . . 32 ALA N . 19356 1 306 . 1 1 33 33 ASP H H 1 7.972 0.005 . 1 . 709 . . 33 ASP H . 19356 1 307 . 1 1 33 33 ASP HA H 1 5.143 0.003 . 1 . 31 . . 33 ASP HA . 19356 1 308 . 1 1 33 33 ASP HB2 H 1 2.595 0.004 . 1 . 30 . . 33 ASP HB2 . 19356 1 309 . 1 1 33 33 ASP HB3 H 1 2.470 0.006 . 1 . 29 . . 33 ASP HB3 . 19356 1 310 . 1 1 33 33 ASP C C 13 173.927 0.0893 . 1 . 464 . . 33 ASP C . 19356 1 311 . 1 1 33 33 ASP CA C 13 52.646 0.0893 . 1 . 674 . . 33 ASP CA . 19356 1 312 . 1 1 33 33 ASP CB C 13 41.531 0.114 . 1 . 711 . . 33 ASP CB . 19356 1 313 . 1 1 33 33 ASP N N 15 116.159 0.055 . 1 . 710 . . 33 ASP N . 19356 1 314 . 1 1 34 34 LEU H H 1 9.029 0.01 . 1 . 142 . . 34 LEU H . 19356 1 315 . 1 1 34 34 LEU HA H 1 4.719 0.002 . 1 . 144 . . 34 LEU HA . 19356 1 316 . 1 1 34 34 LEU HB2 H 1 1.309 0.006 . 1 . 209 . . 34 LEU HB2 . 19356 1 317 . 1 1 34 34 LEU HG H 1 1.637 0.001 . 1 . 210 . . 34 LEU HG . 19356 1 318 . 1 1 34 34 LEU HD11 H 1 0.699 0.002 . 1 . 578 . . 34 LEU HD11 . 19356 1 319 . 1 1 34 34 LEU HD12 H 1 0.699 0.002 . 1 . 578 . . 34 LEU HD12 . 19356 1 320 . 1 1 34 34 LEU HD13 H 1 0.699 0.002 . 1 . 578 . . 34 LEU HD13 . 19356 1 321 . 1 1 34 34 LEU HD21 H 1 0.619 0.003 . 1 . 820 . . 34 LEU HD21 . 19356 1 322 . 1 1 34 34 LEU HD22 H 1 0.619 0.003 . 1 . 820 . . 34 LEU HD22 . 19356 1 323 . 1 1 34 34 LEU HD23 H 1 0.619 0.003 . 1 . 820 . . 34 LEU HD23 . 19356 1 324 . 1 1 34 34 LEU C C 13 175.023 0.0893 . 1 . 415 . . 34 LEU C . 19356 1 325 . 1 1 34 34 LEU CA C 13 53.515 0.198 . 1 . 418 . . 34 LEU CA . 19356 1 326 . 1 1 34 34 LEU CB C 13 46.334 0.006 . 1 . 417 . . 34 LEU CB . 19356 1 327 . 1 1 34 34 LEU CD2 C 13 23.724 0.0893 . 1 . 852 . . 34 LEU CD2 . 19356 1 328 . 1 1 34 34 LEU N N 15 121.125 0.031 . 1 . 143 . . 34 LEU N . 19356 1 329 . 1 1 35 35 ASP H H 1 8.560 0.015 . 1 . 26 . . 35 ASP H . 19356 1 330 . 1 1 35 35 ASP HA H 1 5.200 0.005 . 1 . 27 . . 35 ASP HA . 19356 1 331 . 1 1 35 35 ASP HB2 H 1 2.369 0.001 . 1 . 28 . . 35 ASP HB2 . 19356 1 332 . 1 1 35 35 ASP HB3 H 1 2.371 0.004 . 1 . 713 . . 35 ASP HB3 . 19356 1 333 . 1 1 35 35 ASP C C 13 175.654 0.0893 . 1 . 714 . . 35 ASP C . 19356 1 334 . 1 1 35 35 ASP CA C 13 52.017 0.0893 . 1 . 419 . . 35 ASP CA . 19356 1 335 . 1 1 35 35 ASP CB C 13 39.036 0.0893 . 1 . 416 . . 35 ASP CB . 19356 1 336 . 1 1 35 35 ASP N N 15 119.432 0.017 . 1 . 335 . . 35 ASP N . 19356 1 337 . 1 1 36 36 CYS H H 1 9.252 0.012 . 1 . 373 . . 36 CYS H . 19356 1 338 . 1 1 36 36 CYS HA H 1 5.588 0.003 . 1 . 19 . . 36 CYS HA . 19356 1 339 . 1 1 36 36 CYS HB2 H 1 3.168 0.009 . 1 . 21 . . 36 CYS HB2 . 19356 1 340 . 1 1 36 36 CYS HB3 H 1 2.638 0.002 . 1 . 20 . . 36 CYS HB3 . 19356 1 341 . 1 1 36 36 CYS C C 13 172.197 0.0893 . 1 . 387 . . 36 CYS C . 19356 1 342 . 1 1 36 36 CYS CA C 13 56.500 0.0893 . 1 . 389 . . 36 CYS CA . 19356 1 343 . 1 1 36 36 CYS CB C 13 47.688 0.0893 . 1 . 390 . . 36 CYS CB . 19356 1 344 . 1 1 36 36 CYS N N 15 123.732 0.013 . 1 . 374 . . 36 CYS N . 19356 1 345 . 1 1 37 37 ALA H H 1 8.971 0.005 . 1 . 76 . . 37 ALA H . 19356 1 346 . 1 1 37 37 ALA HA H 1 4.622 0.003 . 1 . 79 . . 37 ALA HA . 19356 1 347 . 1 1 37 37 ALA HB1 H 1 1.261 0.004 . 1 . 78 . . 37 ALA HB1 . 19356 1 348 . 1 1 37 37 ALA HB2 H 1 1.261 0.004 . 1 . 78 . . 37 ALA HB2 . 19356 1 349 . 1 1 37 37 ALA HB3 H 1 1.261 0.004 . 1 . 78 . . 37 ALA HB3 . 19356 1 350 . 1 1 37 37 ALA C C 13 176.427 0.0893 . 1 . 441 . . 37 ALA C . 19356 1 351 . 1 1 37 37 ALA CA C 13 51.080 0.155 . 1 . 385 . . 37 ALA CA . 19356 1 352 . 1 1 37 37 ALA CB C 13 23.072 0.129 . 1 . 386 . . 37 ALA CB . 19356 1 353 . 1 1 37 37 ALA N N 15 123.499 0.015 . 1 . 77 . . 37 ALA N . 19356 1 354 . 1 1 38 38 ASN H H 1 8.392 0.008 . 1 . 118 . . 38 ASN H . 19356 1 355 . 1 1 38 38 ASN HA H 1 4.706 0.001 . 1 . 119 . . 38 ASN HA . 19356 1 356 . 1 1 38 38 ASN HB2 H 1 2.640 0.006 . 1 . 758 . . 38 ASN HB2 . 19356 1 357 . 1 1 38 38 ASN HB3 H 1 2.524 0.004 . 1 . 757 . . 38 ASN HB3 . 19356 1 358 . 1 1 38 38 ASN HD21 H 1 7.250 0.008 . 1 . 222 . . 38 ASN HD21 . 19356 1 359 . 1 1 38 38 ASN HD22 H 1 6.364 0.002 . 1 . 223 . . 38 ASN HD22 . 19356 1 360 . 1 1 38 38 ASN CA C 13 52.010 0.0893 . 1 . 440 . . 38 ASN CA . 19356 1 361 . 1 1 38 38 ASN CB C 13 37.237 0.0893 . 1 . 442 . . 38 ASN CB . 19356 1 362 . 1 1 38 38 ASN N N 15 119.022 0.031 . 1 . 314 . . 38 ASN N . 19356 1 363 . 1 1 38 38 ASN ND2 N 15 109.913 0.024 . 1 . 359 . . 38 ASN ND2 . 19356 1 364 . 1 1 39 39 PRO HA H 1 4.897 0.002 . 1 . 780 . . 39 PRO HA . 19356 1 365 . 1 1 39 39 PRO HB2 H 1 2.080 0.006 . 1 . 781 . . 39 PRO HB2 . 19356 1 366 . 1 1 39 39 PRO HB3 H 1 2.204 0.003 . 1 . 853 . . 39 PRO HB3 . 19356 1 367 . 1 1 39 39 PRO HG2 H 1 1.839 0.003 . 1 . 783 . . 39 PRO HG2 . 19356 1 368 . 1 1 39 39 PRO HG3 H 1 1.914 0.004 . 1 . 782 . . 39 PRO HG3 . 19356 1 369 . 1 1 39 39 PRO HD2 H 1 3.461 0.001 . 1 . 851 . . 39 PRO HD2 . 19356 1 370 . 1 1 39 39 PRO HD3 H 1 3.948 0.002 . 1 . 850 . . 39 PRO HD3 . 19356 1 371 . 1 1 40 40 PRO HA H 1 4.369 0.007 . 1 . 654 . . 40 PRO HA . 19356 1 372 . 1 1 40 40 PRO HB2 H 1 1.970 0.004 . 1 . 656 . . 40 PRO HB2 . 19356 1 373 . 1 1 40 40 PRO HB3 H 1 2.096 0.001 . 1 . 655 . . 40 PRO HB3 . 19356 1 374 . 1 1 40 40 PRO HG2 H 1 1.778 0.001 . 1 . 827 . . 40 PRO HG2 . 19356 1 375 . 1 1 40 40 PRO HG3 H 1 1.897 0.00493 . 1 . 829 . . 40 PRO HG3 . 19356 1 376 . 1 1 40 40 PRO HD2 H 1 3.299 0.002 . 1 . 828 . . 40 PRO HD2 . 19356 1 377 . 1 1 40 40 PRO C C 13 175.117 0.0893 . 1 . 560 . . 40 PRO C . 19356 1 378 . 1 1 40 40 PRO CA C 13 63.692 0.0893 . 1 . 559 . . 40 PRO CA . 19356 1 379 . 1 1 40 40 PRO CB C 13 31.540 0.0893 . 1 . 561 . . 40 PRO CB . 19356 1 380 . 1 1 41 41 ALA H H 1 7.437 0.004 . 1 . 249 . . 41 ALA H . 19356 1 381 . 1 1 41 41 ALA HA H 1 4.319 0.006 . 1 . 562 . . 41 ALA HA . 19356 1 382 . 1 1 41 41 ALA HB1 H 1 1.275 0.002 . 1 . 563 . . 41 ALA HB1 . 19356 1 383 . 1 1 41 41 ALA HB2 H 1 1.275 0.002 . 1 . 563 . . 41 ALA HB2 . 19356 1 384 . 1 1 41 41 ALA HB3 H 1 1.275 0.002 . 1 . 563 . . 41 ALA HB3 . 19356 1 385 . 1 1 41 41 ALA C C 13 177.008 0.0893 . 1 . 558 . . 41 ALA C . 19356 1 386 . 1 1 41 41 ALA CA C 13 52.049 0.172 . 1 . 557 . . 41 ALA CA . 19356 1 387 . 1 1 41 41 ALA CB C 13 21.296 0.048 . 1 . 556 . . 41 ALA CB . 19356 1 388 . 1 1 41 41 ALA N N 15 121.210 0.016 . 1 . 250 . . 41 ALA N . 19356 1 389 . 1 1 42 42 THR H H 1 7.722 0.007 . 1 . 274 . . 42 THR H . 19356 1 390 . 1 1 42 42 THR HA H 1 4.040 0.002 . 1 . 565 . . 42 THR HA . 19356 1 391 . 1 1 42 42 THR HB H 1 3.980 0.005 . 1 . 564 . . 42 THR HB . 19356 1 392 . 1 1 42 42 THR HG21 H 1 1.049 0.002 . 1 . 566 . . 42 THR HG21 . 19356 1 393 . 1 1 42 42 THR HG22 H 1 1.049 0.002 . 1 . 566 . . 42 THR HG22 . 19356 1 394 . 1 1 42 42 THR HG23 H 1 1.049 0.002 . 1 . 566 . . 42 THR HG23 . 19356 1 395 . 1 1 42 42 THR C C 13 174.516 0.0893 . 1 . 472 . . 42 THR C . 19356 1 396 . 1 1 42 42 THR CA C 13 62.266 0.129 . 1 . 474 . . 42 THR CA . 19356 1 397 . 1 1 42 42 THR CB C 13 69.245 0.097 . 1 . 473 . . 42 THR CB . 19356 1 398 . 1 1 42 42 THR N N 15 112.626 0.027 . 1 . 275 . . 42 THR N . 19356 1 399 . 1 1 43 43 LEU H H 1 8.241 0.007 . 1 . 57 . . 43 LEU H . 19356 1 400 . 1 1 43 43 LEU HA H 1 4.218 0.004 . 1 . 170 . . 43 LEU HA . 19356 1 401 . 1 1 43 43 LEU HB2 H 1 1.752 0.005 . 1 . 56 . . 43 LEU HB2 . 19356 1 402 . 1 1 43 43 LEU HB3 H 1 1.030 0.004 . 1 . 54 . . 43 LEU HB3 . 19356 1 403 . 1 1 43 43 LEU HG H 1 1.532 0.004 . 1 . 55 . . 43 LEU HG . 19356 1 404 . 1 1 43 43 LEU HD11 H 1 0.254 0.003 . 1 . 52 . . 43 LEU HD11 . 19356 1 405 . 1 1 43 43 LEU HD12 H 1 0.254 0.003 . 1 . 52 . . 43 LEU HD12 . 19356 1 406 . 1 1 43 43 LEU HD13 H 1 0.254 0.003 . 1 . 52 . . 43 LEU HD13 . 19356 1 407 . 1 1 43 43 LEU HD21 H 1 0.527 0.002 . 1 . 53 . . 43 LEU HD21 . 19356 1 408 . 1 1 43 43 LEU HD22 H 1 0.527 0.002 . 1 . 53 . . 43 LEU HD22 . 19356 1 409 . 1 1 43 43 LEU HD23 H 1 0.527 0.002 . 1 . 53 . . 43 LEU HD23 . 19356 1 410 . 1 1 43 43 LEU C C 13 177.224 0.0893 . 1 . 455 . . 43 LEU C . 19356 1 411 . 1 1 43 43 LEU CA C 13 54.850 0.167 . 1 . 475 . . 43 LEU CA . 19356 1 412 . 1 1 43 43 LEU CB C 13 42.829 0.061 . 1 . 476 . . 43 LEU CB . 19356 1 413 . 1 1 43 43 LEU CG C 13 29.219 0.0893 . 1 . 832 . . 43 LEU CG . 19356 1 414 . 1 1 43 43 LEU CD1 C 13 25.171 0.0893 . 1 . 816 . . 43 LEU CD1 . 19356 1 415 . 1 1 43 43 LEU CD2 C 13 23.506 0.0893 . 1 . 817 . . 43 LEU CD2 . 19356 1 416 . 1 1 43 43 LEU N N 15 124.996 0.02 . 1 . 169 . . 43 LEU N . 19356 1 417 . 1 1 44 44 ALA H H 1 8.307 0.027 . 1 . 318 . . 44 ALA H . 19356 1 418 . 1 1 44 44 ALA HA H 1 3.994 0.002 . 1 . 567 . . 44 ALA HA . 19356 1 419 . 1 1 44 44 ALA HB1 H 1 1.064 0.003 . 1 . 568 . . 44 ALA HB1 . 19356 1 420 . 1 1 44 44 ALA HB2 H 1 1.064 0.003 . 1 . 568 . . 44 ALA HB2 . 19356 1 421 . 1 1 44 44 ALA HB3 H 1 1.064 0.003 . 1 . 568 . . 44 ALA HB3 . 19356 1 422 . 1 1 44 44 ALA C C 13 176.952 0.0893 . 1 . 631 . . 44 ALA C . 19356 1 423 . 1 1 44 44 ALA CA C 13 54.760 0.0893 . 1 . 454 . . 44 ALA CA . 19356 1 424 . 1 1 44 44 ALA CB C 13 19.858 0.0893 . 1 . 453 . . 44 ALA CB . 19356 1 425 . 1 1 44 44 ALA N N 15 122.880 0.029 . 1 . 319 . . 44 ALA N . 19356 1 426 . 1 1 45 45 ASN H H 1 7.562 0.008 . 1 . 179 . . 45 ASN H . 19356 1 427 . 1 1 45 45 ASN HA H 1 3.201 0.003 . 1 . 628 . . 45 ASN HA . 19356 1 428 . 1 1 45 45 ASN HB2 H 1 2.979 0.004 . 1 . 629 . . 45 ASN HB2 . 19356 1 429 . 1 1 45 45 ASN HB3 H 1 2.704 0.005 . 1 . 630 . . 45 ASN HB3 . 19356 1 430 . 1 1 45 45 ASN HD21 H 1 7.367 0.005 . 1 . 372 . . 45 ASN HD21 . 19356 1 431 . 1 1 45 45 ASN HD22 H 1 6.735 0.003 . 1 . 306 . . 45 ASN HD22 . 19356 1 432 . 1 1 45 45 ASN C C 13 174.939 0.0893 . 1 . 467 . . 45 ASN C . 19356 1 433 . 1 1 45 45 ASN CA C 13 51.962 0.12 . 1 . 469 . . 45 ASN CA . 19356 1 434 . 1 1 45 45 ASN CB C 13 38.677 0.08 . 1 . 470 . . 45 ASN CB . 19356 1 435 . 1 1 45 45 ASN N N 15 109.900 0.04 . 1 . 232 . . 45 ASN N . 19356 1 436 . 1 1 45 45 ASN ND2 N 15 114.566 0.014 . 1 . 307 . . 45 ASN ND2 . 19356 1 437 . 1 1 46 46 ALA H H 1 8.254 0.006 . 1 . 272 . . 46 ALA H . 19356 1 438 . 1 1 46 46 ALA HA H 1 4.238 0.007 . 1 . 579 . . 46 ALA HA . 19356 1 439 . 1 1 46 46 ALA HB1 H 1 1.356 0.003 . 1 . 580 . . 46 ALA HB1 . 19356 1 440 . 1 1 46 46 ALA HB2 H 1 1.356 0.003 . 1 . 580 . . 46 ALA HB2 . 19356 1 441 . 1 1 46 46 ALA HB3 H 1 1.356 0.003 . 1 . 580 . . 46 ALA HB3 . 19356 1 442 . 1 1 46 46 ALA C C 13 179.488 0.0893 . 1 . 523 . . 46 ALA C . 19356 1 443 . 1 1 46 46 ALA CA C 13 55.920 0.103 . 1 . 468 . . 46 ALA CA . 19356 1 444 . 1 1 46 46 ALA CB C 13 18.566 0.123 . 1 . 471 . . 46 ALA CB . 19356 1 445 . 1 1 46 46 ALA N N 15 123.251 0.021 . 1 . 273 . . 46 ALA N . 19356 1 446 . 1 1 47 47 THR H H 1 7.860 0.005 . 1 . 338 . . 47 THR H . 19356 1 447 . 1 1 47 47 THR HA H 1 3.989 0.004 . 1 . 582 . . 47 THR HA . 19356 1 448 . 1 1 47 47 THR HB H 1 3.854 0.001 . 1 . 581 . . 47 THR HB . 19356 1 449 . 1 1 47 47 THR HG21 H 1 1.054 0.005 . 1 . 583 . . 47 THR HG21 . 19356 1 450 . 1 1 47 47 THR HG22 H 1 1.054 0.005 . 1 . 583 . . 47 THR HG22 . 19356 1 451 . 1 1 47 47 THR HG23 H 1 1.054 0.005 . 1 . 583 . . 47 THR HG23 . 19356 1 452 . 1 1 47 47 THR C C 13 177.094 0.0893 . 1 . 450 . . 47 THR C . 19356 1 453 . 1 1 47 47 THR CA C 13 66.110 0.121 . 1 . 449 . . 47 THR CA . 19356 1 454 . 1 1 47 47 THR CB C 13 68.619 0.103 . 1 . 448 . . 47 THR CB . 19356 1 455 . 1 1 47 47 THR N N 15 113.009 0.029 . 1 . 339 . . 47 THR N . 19356 1 456 . 1 1 48 48 HIS H H 1 8.341 0.006 . 1 . 127 . . 48 HIS H . 19356 1 457 . 1 1 48 48 HIS HA H 1 4.575 0.001 . 1 . 128 . . 48 HIS HA . 19356 1 458 . 1 1 48 48 HIS HB2 H 1 3.368 0.009 . 1 . 129 . . 48 HIS HB2 . 19356 1 459 . 1 1 48 48 HIS HB3 H 1 3.041 0.005 . 1 . 130 . . 48 HIS HB3 . 19356 1 460 . 1 1 48 48 HIS HD2 H 1 7.259 0.001 . 1 . 844 . . 48 HIS HD2 . 19356 1 461 . 1 1 48 48 HIS HE1 H 1 8.468 0.001 . 1 . 845 . . 48 HIS HE1 . 19356 1 462 . 1 1 48 48 HIS C C 13 177.395 0.0893 . 1 . 459 . . 48 HIS C . 19356 1 463 . 1 1 48 48 HIS CA C 13 58.355 0.042 . 1 . 446 . . 48 HIS CA . 19356 1 464 . 1 1 48 48 HIS CB C 13 28.175 0.107 . 1 . 447 . . 48 HIS CB . 19356 1 465 . 1 1 48 48 HIS N N 15 119.700 0.022 . 1 . 246 . . 48 HIS N . 19356 1 466 . 1 1 49 49 PHE H H 1 8.281 0.005 . 1 . 230 . . 49 PHE H . 19356 1 467 . 1 1 49 49 PHE HA H 1 4.697 0.001 . 1 . 584 . . 49 PHE HA . 19356 1 468 . 1 1 49 49 PHE HB2 H 1 3.717 0.009 . 1 . 585 . . 49 PHE HB2 . 19356 1 469 . 1 1 49 49 PHE HB3 H 1 3.296 0.005 . 1 . 586 . . 49 PHE HB3 . 19356 1 470 . 1 1 49 49 PHE HD1 H 1 6.965 0.003 . 3 . 201 . . 49 PHE HD1 . 19356 1 471 . 1 1 49 49 PHE HD2 H 1 6.965 0.003 . 3 . 201 . . 49 PHE HD2 . 19356 1 472 . 1 1 49 49 PHE HE1 H 1 7.546 0.003 . 3 . 200 . . 49 PHE HE1 . 19356 1 473 . 1 1 49 49 PHE HE2 H 1 7.546 0.003 . 3 . 200 . . 49 PHE HE2 . 19356 1 474 . 1 1 49 49 PHE HZ H 1 7.358 0.003 . 1 . 202 . . 49 PHE HZ . 19356 1 475 . 1 1 49 49 PHE C C 13 176.454 0.0893 . 1 . 499 . . 49 PHE C . 19356 1 476 . 1 1 49 49 PHE CA C 13 58.114 0.121 . 1 . 460 . . 49 PHE CA . 19356 1 477 . 1 1 49 49 PHE CB C 13 38.264 0.042 . 1 . 461 . . 49 PHE CB . 19356 1 478 . 1 1 49 49 PHE N N 15 124.515 0.02 . 1 . 231 . . 49 PHE N . 19356 1 479 . 1 1 50 50 GLU H H 1 8.131 0.006 . 1 . 324 . . 50 GLU H . 19356 1 480 . 1 1 50 50 GLU HA H 1 3.756 0.006 . 1 . 587 . . 50 GLU HA . 19356 1 481 . 1 1 50 50 GLU HB2 H 1 2.040 0.002 . 1 . 591 . . 50 GLU HB2 . 19356 1 482 . 1 1 50 50 GLU HB3 H 1 2.100 0.002 . 1 . 590 . . 50 GLU HB3 . 19356 1 483 . 1 1 50 50 GLU HG2 H 1 2.340 0.003 . 1 . 589 . . 50 GLU HG2 . 19356 1 484 . 1 1 50 50 GLU HG3 H 1 2.383 0.006 . 1 . 588 . . 50 GLU HG3 . 19356 1 485 . 1 1 50 50 GLU C C 13 179.004 0.0893 . 1 . 426 . . 50 GLU C . 19356 1 486 . 1 1 50 50 GLU CA C 13 59.311 0.107 . 1 . 500 . . 50 GLU CA . 19356 1 487 . 1 1 50 50 GLU CB C 13 27.723 0.065 . 1 . 501 . . 50 GLU CB . 19356 1 488 . 1 1 50 50 GLU N N 15 117.736 0.028 . 1 . 325 . . 50 GLU N . 19356 1 489 . 1 1 51 51 SER H H 1 8.453 0.007 . 1 . 362 . . 51 SER H . 19356 1 490 . 1 1 51 51 SER HA H 1 4.086 0.003 . 1 . 569 . . 51 SER HA . 19356 1 491 . 1 1 51 51 SER HB2 H 1 3.807 0.008 . 1 . 570 . . 51 SER HB2 . 19356 1 492 . 1 1 51 51 SER C C 13 177.154 0.0893 . 1 . 747 . . 51 SER C . 19356 1 493 . 1 1 51 51 SER CA C 13 61.698 0.0893 . 1 . 427 . . 51 SER CA . 19356 1 494 . 1 1 51 51 SER CB C 13 62.578 0.0893 . 1 . 428 . . 51 SER CB . 19356 1 495 . 1 1 51 51 SER N N 15 115.107 0.028 . 1 . 363 . . 51 SER N . 19356 1 496 . 1 1 52 52 THR H H 1 8.216 0.004 . 1 . 268 . . 52 THR H . 19356 1 497 . 1 1 52 52 THR HA H 1 3.933 0.002 . 1 . 746 . . 52 THR HA . 19356 1 498 . 1 1 52 52 THR HB H 1 4.328 0.004 . 1 . 745 . . 52 THR HB . 19356 1 499 . 1 1 52 52 THR HG21 H 1 1.130 0.003 . 1 . 743 . . 52 THR HG21 . 19356 1 500 . 1 1 52 52 THR HG22 H 1 1.130 0.003 . 1 . 743 . . 52 THR HG22 . 19356 1 501 . 1 1 52 52 THR HG23 H 1 1.130 0.003 . 1 . 743 . . 52 THR HG23 . 19356 1 502 . 1 1 52 52 THR C C 13 176.480 0.0893 . 1 . 724 . . 52 THR C . 19356 1 503 . 1 1 52 52 THR CA C 13 67.192 0.0893 . 1 . 726 . . 52 THR CA . 19356 1 504 . 1 1 52 52 THR CB C 13 68.846 0.0893 . 1 . 725 . . 52 THR CB . 19356 1 505 . 1 1 52 52 THR N N 15 120.836 0.018 . 1 . 269 . . 52 THR N . 19356 1 506 . 1 1 53 53 CYS H H 1 7.432 0.004 . 1 . 166 . . 53 CYS H . 19356 1 507 . 1 1 53 53 CYS HA H 1 4.471 0.004 . 1 . 744 . . 53 CYS HA . 19356 1 508 . 1 1 53 53 CYS HB2 H 1 2.433 0.004 . 1 . 167 . . 53 CYS HB2 . 19356 1 509 . 1 1 53 53 CYS HB3 H 1 2.349 0.003 . 1 . 168 . . 53 CYS HB3 . 19356 1 510 . 1 1 53 53 CYS C C 13 177.175 0.0893 . 1 . 420 . . 53 CYS C . 19356 1 511 . 1 1 53 53 CYS CA C 13 54.547 0.064 . 1 . 534 . . 53 CYS CA . 19356 1 512 . 1 1 53 53 CYS CB C 13 34.245 0.046 . 1 . 535 . . 53 CYS CB . 19356 1 513 . 1 1 53 53 CYS N N 15 116.401 0.024 . 1 . 310 . . 53 CYS N . 19356 1 514 . 1 1 54 54 ALA H H 1 8.533 0.007 . 1 . 145 . . 54 ALA H . 19356 1 515 . 1 1 54 54 ALA HA H 1 4.274 0.003 . 1 . 147 . . 54 ALA HA . 19356 1 516 . 1 1 54 54 ALA HB1 H 1 1.393 0.003 . 1 . 148 . . 54 ALA HB1 . 19356 1 517 . 1 1 54 54 ALA HB2 H 1 1.393 0.003 . 1 . 148 . . 54 ALA HB2 . 19356 1 518 . 1 1 54 54 ALA HB3 H 1 1.393 0.003 . 1 . 148 . . 54 ALA HB3 . 19356 1 519 . 1 1 54 54 ALA C C 13 181.245 0.0893 . 1 . 721 . . 54 ALA C . 19356 1 520 . 1 1 54 54 ALA CA C 13 55.379 0.09 . 1 . 422 . . 54 ALA CA . 19356 1 521 . 1 1 54 54 ALA CB C 13 18.166 0.079 . 1 . 421 . . 54 ALA CB . 19356 1 522 . 1 1 54 54 ALA N N 15 124.634 0.021 . 1 . 146 . . 54 ALA N . 19356 1 523 . 1 1 55 55 ALA H H 1 7.745 0.006 . 1 . 331 . . 55 ALA H . 19356 1 524 . 1 1 55 55 ALA HA H 1 4.088 0.003 . 1 . 722 . . 55 ALA HA . 19356 1 525 . 1 1 55 55 ALA HB1 H 1 1.465 0.003 . 1 . 723 . . 55 ALA HB1 . 19356 1 526 . 1 1 55 55 ALA HB2 H 1 1.465 0.003 . 1 . 723 . . 55 ALA HB2 . 19356 1 527 . 1 1 55 55 ALA HB3 H 1 1.465 0.003 . 1 . 723 . . 55 ALA HB3 . 19356 1 528 . 1 1 55 55 ALA C C 13 179.001 0.0893 . 1 . 728 . . 55 ALA C . 19356 1 529 . 1 1 55 55 ALA CA C 13 54.775 0.056 . 1 . 720 . . 55 ALA CA . 19356 1 530 . 1 1 55 55 ALA CB C 13 18.548 0.149 . 1 . 719 . . 55 ALA CB . 19356 1 531 . 1 1 55 55 ALA N N 15 121.427 0.016 . 1 . 332 . . 55 ALA N . 19356 1 532 . 1 1 56 56 ILE H H 1 6.990 0.005 . 1 . 336 . . 56 ILE H . 19356 1 533 . 1 1 56 56 ILE HA H 1 4.535 0.003 . 1 . 727 . . 56 ILE HA . 19356 1 534 . 1 1 56 56 ILE HB H 1 2.161 0.003 . 1 . 774 . . 56 ILE HB . 19356 1 535 . 1 1 56 56 ILE HG12 H 1 1.213 0.008 . 1 . 777 . . 56 ILE HG12 . 19356 1 536 . 1 1 56 56 ILE HG21 H 1 0.803 0.003 . 1 . 775 . . 56 ILE HG21 . 19356 1 537 . 1 1 56 56 ILE HG22 H 1 0.803 0.003 . 1 . 775 . . 56 ILE HG22 . 19356 1 538 . 1 1 56 56 ILE HG23 H 1 0.803 0.003 . 1 . 775 . . 56 ILE HG23 . 19356 1 539 . 1 1 56 56 ILE HD11 H 1 0.705 0.006 . 1 . 776 . . 56 ILE HD11 . 19356 1 540 . 1 1 56 56 ILE HD12 H 1 0.705 0.006 . 1 . 776 . . 56 ILE HD12 . 19356 1 541 . 1 1 56 56 ILE HD13 H 1 0.705 0.006 . 1 . 776 . . 56 ILE HD13 . 19356 1 542 . 1 1 56 56 ILE C C 13 176.196 0.0893 . 1 . 603 . . 56 ILE C . 19356 1 543 . 1 1 56 56 ILE CA C 13 60.529 0.186 . 1 . 605 . . 56 ILE CA . 19356 1 544 . 1 1 56 56 ILE CB C 13 37.681 0.0893 . 1 . 604 . . 56 ILE CB . 19356 1 545 . 1 1 56 56 ILE CG2 C 13 17.955 0.0893 . 1 . 838 . . 56 ILE CG2 . 19356 1 546 . 1 1 56 56 ILE CD1 C 13 12.721 0.0893 . 1 . 833 . . 56 ILE CD1 . 19356 1 547 . 1 1 56 56 ILE N N 15 108.656 0.042 . 1 . 337 . . 56 ILE N . 19356 1 548 . 1 1 57 57 GLY H H 1 7.772 0.005 . 1 . 90 . . 57 GLY H . 19356 1 549 . 1 1 57 57 GLY HA2 H 1 3.943 0.005 . 1 . 92 . . 57 GLY HA2 . 19356 1 550 . 1 1 57 57 GLY HA3 H 1 3.734 0.006 . 1 . 93 . . 57 GLY HA3 . 19356 1 551 . 1 1 57 57 GLY C C 13 174.849 0.0893 . 1 . 524 . . 57 GLY C . 19356 1 552 . 1 1 57 57 GLY CA C 13 46.388 0.111 . 1 . 601 . . 57 GLY CA . 19356 1 553 . 1 1 57 57 GLY N N 15 109.651 0.036 . 1 . 91 . . 57 GLY N . 19356 1 554 . 1 1 58 58 GLN H H 1 7.832 0.005 . 1 . 295 . . 58 GLN H . 19356 1 555 . 1 1 58 58 GLN HA H 1 4.453 0.001 . 1 . 602 . . 58 GLN HA . 19356 1 556 . 1 1 58 58 GLN HB2 H 1 1.413 0.007 . 1 . 651 . . 58 GLN HB2 . 19356 1 557 . 1 1 58 58 GLN HB3 H 1 1.878 0.011 . 1 . 764 . . 58 GLN HB3 . 19356 1 558 . 1 1 58 58 GLN HG2 H 1 2.175 0.005 . 1 . 652 . . 58 GLN HG2 . 19356 1 559 . 1 1 58 58 GLN HG3 H 1 1.828 0.001 . 1 . 653 . . 58 GLN HG3 . 19356 1 560 . 1 1 58 58 GLN HE21 H 1 6.502 0.003 . 1 . 733 . . 58 GLN HE21 . 19356 1 561 . 1 1 58 58 GLN HE22 H 1 6.282 0.005 . 1 . 734 . . 58 GLN HE22 . 19356 1 562 . 1 1 58 58 GLN C C 13 174.130 0.0893 . 1 . 413 . . 58 GLN C . 19356 1 563 . 1 1 58 58 GLN CA C 13 55.016 0.105 . 1 . 525 . . 58 GLN CA . 19356 1 564 . 1 1 58 58 GLN CB C 13 32.675 0.0893 . 1 . 526 . . 58 GLN CB . 19356 1 565 . 1 1 58 58 GLN N N 15 119.658 0.029 . 1 . 296 . . 58 GLN N . 19356 1 566 . 1 1 58 58 GLN NE2 N 15 110.327 0.022 . 1 . 735 . . 58 GLN NE2 . 19356 1 567 . 1 1 59 59 ARG H H 1 8.567 0.005 . 1 . 158 . . 59 ARG H . 19356 1 568 . 1 1 59 59 ARG HA H 1 4.585 0.007 . 1 . 159 . . 59 ARG HA . 19356 1 569 . 1 1 59 59 ARG HB2 H 1 1.559 0.004 . 1 . 173 . . 59 ARG HB2 . 19356 1 570 . 1 1 59 59 ARG HG2 H 1 1.440 0.006 . 1 . 172 . . 59 ARG HG2 . 19356 1 571 . 1 1 59 59 ARG HD2 H 1 3.019 0.004 . 1 . 211 . . 59 ARG HD2 . 19356 1 572 . 1 1 59 59 ARG HD3 H 1 2.945 0.003 . 1 . 212 . . 59 ARG HD3 . 19356 1 573 . 1 1 59 59 ARG HE H 1 6.923 0.009 . 1 . 348 . . 59 ARG HE . 19356 1 574 . 1 1 59 59 ARG C C 13 175.786 0.0893 . 1 . 548 . . 59 ARG C . 19356 1 575 . 1 1 59 59 ARG CA C 13 54.140 0.085 . 1 . 412 . . 59 ARG CA . 19356 1 576 . 1 1 59 59 ARG CB C 13 33.075 0.123 . 1 . 414 . . 59 ARG CB . 19356 1 577 . 1 1 59 59 ARG CG C 13 26.797 0.0893 . 1 . 610 . . 59 ARG CG . 19356 1 578 . 1 1 59 59 ARG CD C 13 43.330 0.0893 . 1 . 611 . . 59 ARG CD . 19356 1 579 . 1 1 59 59 ARG CZ C 13 159.626 0.0893 . 1 . 761 . . 59 ARG CZ . 19356 1 580 . 1 1 59 59 ARG N N 15 117.707 0.038 . 1 . 353 . . 59 ARG N . 19356 1 581 . 1 1 59 59 ARG NE N 15 117.304 0.01 . 1 . 214 . . 59 ARG NE . 19356 1 582 . 1 1 60 60 ALA H H 1 8.088 0.005 . 1 . 36 . . 60 ALA H . 19356 1 583 . 1 1 60 60 ALA HA H 1 4.416 0.007 . 1 . 38 . . 60 ALA HA . 19356 1 584 . 1 1 60 60 ALA HB1 H 1 -0.102 0.003 . 1 . 37 . . 60 ALA HB1 . 19356 1 585 . 1 1 60 60 ALA HB2 H 1 -0.102 0.003 . 1 . 37 . . 60 ALA HB2 . 19356 1 586 . 1 1 60 60 ALA HB3 H 1 -0.102 0.003 . 1 . 37 . . 60 ALA HB3 . 19356 1 587 . 1 1 60 60 ALA C C 13 177.243 0.0893 . 1 . 549 . . 60 ALA C . 19356 1 588 . 1 1 60 60 ALA CA C 13 53.158 0.016 . 1 . 507 . . 60 ALA CA . 19356 1 589 . 1 1 60 60 ALA CB C 13 17.700 0.046 . 1 . 508 . . 60 ALA CB . 19356 1 590 . 1 1 60 60 ALA N N 15 127.042 0.025 . 1 . 171 . . 60 ALA N . 19356 1 591 . 1 1 61 61 ARG H H 1 9.003 0.005 . 1 . 71 . . 61 ARG H . 19356 1 592 . 1 1 61 61 ARG HA H 1 4.607 0.003 . 1 . 73 . . 61 ARG HA . 19356 1 593 . 1 1 61 61 ARG HB2 H 1 1.637 0.005 . 1 . 74 . . 61 ARG HB2 . 19356 1 594 . 1 1 61 61 ARG HG2 H 1 1.306 0.004 . 1 . 75 . . 61 ARG HG2 . 19356 1 595 . 1 1 61 61 ARG HD2 H 1 2.905 0.002 . 1 . 177 . . 61 ARG HD2 . 19356 1 596 . 1 1 61 61 ARG HD3 H 1 2.761 0.004 . 1 . 176 . . 61 ARG HD3 . 19356 1 597 . 1 1 61 61 ARG HE H 1 6.822 0.014 . 1 . 175 . . 61 ARG HE . 19356 1 598 . 1 1 61 61 ARG HH11 H 1 6.601 0.004 . 1 . 823 . . 61 ARG HH11 . 19356 1 599 . 1 1 61 61 ARG HH21 H 1 6.605 0.001 . 1 . 854 . . 61 ARG HH21 . 19356 1 600 . 1 1 61 61 ARG C C 13 174.338 0.0893 . 1 . 408 . . 61 ARG C . 19356 1 601 . 1 1 61 61 ARG CA C 13 53.678 0.114 . 1 . 550 . . 61 ARG CA . 19356 1 602 . 1 1 61 61 ARG CB C 13 38.014 0.138 . 1 . 411 . . 61 ARG CB . 19356 1 603 . 1 1 61 61 ARG CG C 13 26.413 0.0893 . 1 . 715 . . 61 ARG CG . 19356 1 604 . 1 1 61 61 ARG CD C 13 43.464 0.0893 . 1 . 716 . . 61 ARG CD . 19356 1 605 . 1 1 61 61 ARG CZ C 13 159.626 0.0893 . 1 . 762 . . 61 ARG CZ . 19356 1 606 . 1 1 61 61 ARG N N 15 122.338 0.018 . 1 . 72 . . 61 ARG N . 19356 1 607 . 1 1 61 61 ARG NE N 15 116.195 0.016 . 1 . 178 . . 61 ARG NE . 19356 1 608 . 1 1 61 61 ARG NH1 N 15 73.296 0.004 . 1 . 283 . . 61 ARG NH1 . 19356 1 609 . 1 1 62 62 CYS H H 1 8.600 0.006 . 1 . 22 . . 62 CYS H . 19356 1 610 . 1 1 62 62 CYS HA H 1 5.333 0.002 . 1 . 23 . . 62 CYS HA . 19356 1 611 . 1 1 62 62 CYS HB2 H 1 3.465 0.005 . 1 . 25 . . 62 CYS HB2 . 19356 1 612 . 1 1 62 62 CYS HB3 H 1 2.390 0.003 . 1 . 24 . . 62 CYS HB3 . 19356 1 613 . 1 1 62 62 CYS C C 13 175.388 0.0893 . 1 . 375 . . 62 CYS C . 19356 1 614 . 1 1 62 62 CYS CA C 13 53.424 0.094 . 1 . 377 . . 62 CYS CA . 19356 1 615 . 1 1 62 62 CYS CB C 13 40.648 0.08 . 1 . 410 . . 62 CYS CB . 19356 1 616 . 1 1 62 62 CYS N N 15 118.740 0.017 . 1 . 326 . . 62 CYS N . 19356 1 617 . 1 1 63 63 CYS H H 1 9.506 0.004 . 1 . 3 . . 63 CYS H . 19356 1 618 . 1 1 63 63 CYS HA H 1 5.780 0.004 . 1 . 4 . . 63 CYS HA . 19356 1 619 . 1 1 63 63 CYS HB2 H 1 2.930 0.006 . 1 . 5 . . 63 CYS HB2 . 19356 1 620 . 1 1 63 63 CYS HB3 H 1 2.609 0.002 . 1 . 6 . . 63 CYS HB3 . 19356 1 621 . 1 1 63 63 CYS C C 13 173.423 0.0893 . 1 . 439 . . 63 CYS C . 19356 1 622 . 1 1 63 63 CYS CA C 13 56.090 0.09 . 1 . 376 . . 63 CYS CA . 19356 1 623 . 1 1 63 63 CYS CB C 13 48.789 0.062 . 1 . 437 . . 63 CYS CB . 19356 1 624 . 1 1 63 63 CYS N N 15 122.402 0.013 . 1 . 58 . . 63 CYS N . 19356 1 625 . 1 1 64 64 LYS H H 1 8.402 0.006 . 1 . 115 . . 64 LYS H . 19356 1 626 . 1 1 64 64 LYS HA H 1 4.494 0.004 . 1 . 117 . . 64 LYS HA . 19356 1 627 . 1 1 64 64 LYS HB2 H 1 1.352 0.007 . 1 . 197 . . 64 LYS HB2 . 19356 1 628 . 1 1 64 64 LYS HB3 H 1 1.528 0.009 . 1 . 196 . . 64 LYS HB3 . 19356 1 629 . 1 1 64 64 LYS HG2 H 1 0.861 0.003 . 1 . 199 . . 64 LYS HG2 . 19356 1 630 . 1 1 64 64 LYS HD2 H 1 1.017 0.004 . 1 . 198 . . 64 LYS HD2 . 19356 1 631 . 1 1 64 64 LYS HE2 H 1 2.609 0.005 . 1 . 592 . . 64 LYS HE2 . 19356 1 632 . 1 1 64 64 LYS HE3 H 1 2.526 0.005 . 1 . 593 . . 64 LYS HE3 . 19356 1 633 . 1 1 64 64 LYS HZ1 H 1 7.058 0.004 . 1 . 226 . . 64 LYS HZ1 . 19356 1 634 . 1 1 64 64 LYS HZ2 H 1 7.058 0.004 . 1 . 226 . . 64 LYS HZ2 . 19356 1 635 . 1 1 64 64 LYS HZ3 H 1 7.058 0.004 . 1 . 226 . . 64 LYS HZ3 . 19356 1 636 . 1 1 64 64 LYS C C 13 175.750 0.0893 . 1 . 481 . . 64 LYS C . 19356 1 637 . 1 1 64 64 LYS CA C 13 56.412 0.02 . 1 . 438 . . 64 LYS CA . 19356 1 638 . 1 1 64 64 LYS CB C 13 33.966 0.11 . 1 . 436 . . 64 LYS CB . 19356 1 639 . 1 1 64 64 LYS CE C 13 42.266 0.01 . 1 . 809 . . 64 LYS CE . 19356 1 640 . 1 1 64 64 LYS N N 15 121.333 0.023 . 1 . 116 . . 64 LYS N . 19356 1 641 . 1 1 65 65 ASP H H 1 8.186 0.006 . 1 . 327 . . 65 ASP H . 19356 1 642 . 1 1 65 65 ASP HA H 1 4.427 0.005 . 1 . 552 . . 65 ASP HA . 19356 1 643 . 1 1 65 65 ASP HB2 H 1 2.734 0.004 . 1 . 553 . . 65 ASP HB2 . 19356 1 644 . 1 1 65 65 ASP HB3 H 1 2.614 0.004 . 1 . 554 . . 65 ASP HB3 . 19356 1 645 . 1 1 65 65 ASP C C 13 174.807 0.0893 . 1 . 551 . . 65 ASP C . 19356 1 646 . 1 1 65 65 ASP CA C 13 53.382 0.073 . 1 . 483 . . 65 ASP CA . 19356 1 647 . 1 1 65 65 ASP CB C 13 37.774 0.053 . 1 . 484 . . 65 ASP CB . 19356 1 648 . 1 1 65 65 ASP N N 15 119.629 0.022 . 1 . 328 . . 65 ASP N . 19356 1 649 . 1 1 66 66 ASP H H 1 8.129 0.004 . 1 . 219 . . 66 ASP H . 19356 1 650 . 1 1 66 66 ASP HA H 1 4.617 0.002 . 1 . 221 . . 66 ASP HA . 19356 1 651 . 1 1 66 66 ASP HB2 H 1 2.685 0.007 . 1 . 220 . . 66 ASP HB2 . 19356 1 652 . 1 1 66 66 ASP C C 13 174.749 0.0893 . 1 . 742 . . 66 ASP C . 19356 1 653 . 1 1 66 66 ASP CA C 13 52.854 0.079 . 1 . 498 . . 66 ASP CA . 19356 1 654 . 1 1 66 66 ASP CB C 13 38.160 0.074 . 1 . 606 . . 66 ASP CB . 19356 1 655 . 1 1 66 66 ASP N N 15 119.457 0.015 . 1 . 303 . . 66 ASP N . 19356 1 656 . 1 1 67 67 VAL H H 1 7.629 0.006 . 1 . 215 . . 67 VAL H . 19356 1 657 . 1 1 67 67 VAL HA H 1 4.141 0.003 . 1 . 217 . . 67 VAL HA . 19356 1 658 . 1 1 67 67 VAL HB H 1 2.017 0.001 . 1 . 218 . . 67 VAL HB . 19356 1 659 . 1 1 67 67 VAL HG11 H 1 0.760 0.004 . 1 . 216 . . 67 VAL HG11 . 19356 1 660 . 1 1 67 67 VAL HG12 H 1 0.760 0.004 . 1 . 216 . . 67 VAL HG12 . 19356 1 661 . 1 1 67 67 VAL HG13 H 1 0.760 0.004 . 1 . 216 . . 67 VAL HG13 . 19356 1 662 . 1 1 67 67 VAL CA C 13 62.053 0.181 . 1 . 607 . . 67 VAL CA . 19356 1 663 . 1 1 67 67 VAL CB C 13 32.758 0.03 . 1 . 533 . . 67 VAL CB . 19356 1 664 . 1 1 67 67 VAL N N 15 118.420 0.02 . 1 . 356 . . 67 VAL N . 19356 1 665 . 1 1 68 68 THR H H 1 7.867 0.007 . 1 . 340 . . 68 THR H . 19356 1 666 . 1 1 68 68 THR HA H 1 4.218 0.004 . 1 . 626 . . 68 THR HA . 19356 1 667 . 1 1 68 68 THR HB H 1 4.044 0.005 . 1 . 627 . . 68 THR HB . 19356 1 668 . 1 1 68 68 THR HG21 H 1 1.005 0.004 . 1 . 625 . . 68 THR HG21 . 19356 1 669 . 1 1 68 68 THR HG22 H 1 1.005 0.004 . 1 . 625 . . 68 THR HG22 . 19356 1 670 . 1 1 68 68 THR HG23 H 1 1.005 0.004 . 1 . 625 . . 68 THR HG23 . 19356 1 671 . 1 1 68 68 THR C C 13 174.075 0.0893 . 1 . 463 . . 68 THR C . 19356 1 672 . 1 1 68 68 THR CA C 13 61.849 0.151 . 1 . 522 . . 68 THR CA . 19356 1 673 . 1 1 68 68 THR CB C 13 69.913 0.086 . 1 . 466 . . 68 THR CB . 19356 1 674 . 1 1 68 68 THR N N 15 116.497 0.034 . 1 . 341 . . 68 THR N . 19356 1 675 . 1 1 69 69 ASN H H 1 8.254 0.006 . 1 . 111 . . 69 ASN H . 19356 1 676 . 1 1 69 69 ASN HA H 1 4.679 0.001 . 1 . 114 . . 69 ASN HA . 19356 1 677 . 1 1 69 69 ASN HB2 H 1 2.755 0.005 . 1 . 113 . . 69 ASN HB2 . 19356 1 678 . 1 1 69 69 ASN HB3 H 1 2.619 0.001 . 1 . 112 . . 69 ASN HB3 . 19356 1 679 . 1 1 69 69 ASN HD21 H 1 6.657 0.006 . 1 . 267 . . 69 ASN HD21 . 19356 1 680 . 1 1 69 69 ASN HD22 H 1 7.295 0.00493 . 1 . 806 . . 69 ASN HD22 . 19356 1 681 . 1 1 69 69 ASN C C 13 175.321 0.0893 . 1 . 517 . . 69 ASN C . 19356 1 682 . 1 1 69 69 ASN CA C 13 53.353 0.076 . 1 . 465 . . 69 ASN CA . 19356 1 683 . 1 1 69 69 ASN CB C 13 39.226 0.056 . 1 . 462 . . 69 ASN CB . 19356 1 684 . 1 1 69 69 ASN CG C 13 177.043 0.0893 . 1 . 807 . . 69 ASN CG . 19356 1 685 . 1 1 69 69 ASN N N 15 121.438 0.09 . 1 . 251 . . 69 ASN N . 19356 1 686 . 1 1 69 69 ASN ND2 N 15 112.441 0.047 . 1 . 253 . . 69 ASN ND2 . 19356 1 687 . 1 1 70 70 THR H H 1 7.996 0.006 . 1 . 284 . . 70 THR H . 19356 1 688 . 1 1 70 70 THR HA H 1 4.207 0.002 . 1 . 640 . . 70 THR HA . 19356 1 689 . 1 1 70 70 THR HB H 1 4.653 0.005 . 1 . 639 . . 70 THR HB . 19356 1 690 . 1 1 70 70 THR HG21 H 1 1.042 0.005 . 1 . 638 . . 70 THR HG21 . 19356 1 691 . 1 1 70 70 THR HG22 H 1 1.042 0.005 . 1 . 638 . . 70 THR HG22 . 19356 1 692 . 1 1 70 70 THR HG23 H 1 1.042 0.005 . 1 . 638 . . 70 THR HG23 . 19356 1 693 . 1 1 70 70 THR C C 13 175.171 0.0893 . 1 . 488 . . 70 THR C . 19356 1 694 . 1 1 70 70 THR CA C 13 62.024 0.148 . 1 . 515 . . 70 THR CA . 19356 1 695 . 1 1 70 70 THR CB C 13 69.781 0.053 . 1 . 516 . . 70 THR CB . 19356 1 696 . 1 1 70 70 THR N N 15 113.848 0.016 . 1 . 243 . . 70 THR N . 19356 1 697 . 1 1 71 71 GLY H H 1 8.183 0.007 . 1 . 329 . . 71 GLY H . 19356 1 698 . 1 1 71 71 GLY HA2 H 1 3.825 0.002 . 1 . 95 . . 71 GLY HA2 . 19356 1 699 . 1 1 71 71 GLY C C 13 173.994 0.0893 . 1 . 717 . . 71 GLY C . 19356 1 700 . 1 1 71 71 GLY CA C 13 45.709 0.085 . 1 . 489 . . 71 GLY CA . 19356 1 701 . 1 1 71 71 GLY N N 15 110.965 0.043 . 1 . 94 . . 71 GLY N . 19356 1 702 . 1 1 72 72 ASN H H 1 8.006 0.012 . 1 . 293 . . 72 ASN H . 19356 1 703 . 1 1 72 72 ASN HA H 1 4.640 0.007 . 1 . 645 . . 72 ASN HA . 19356 1 704 . 1 1 72 72 ASN HB2 H 1 2.654 0.004 . 1 . 646 . . 72 ASN HB2 . 19356 1 705 . 1 1 72 72 ASN HB3 H 1 2.568 0.007 . 1 . 647 . . 72 ASN HB3 . 19356 1 706 . 1 1 72 72 ASN C C 13 175.110 0.0893 . 1 . 512 . . 72 ASN C . 19356 1 707 . 1 1 72 72 ASN CA C 13 53.181 0.076 . 1 . 644 . . 72 ASN CA . 19356 1 708 . 1 1 72 72 ASN CB C 13 39.251 0.075 . 1 . 643 . . 72 ASN CB . 19356 1 709 . 1 1 72 72 ASN N N 15 118.764 0.046 . 1 . 294 . . 72 ASN N . 19356 1 710 . 1 1 73 73 SER H H 1 8.023 0.005 . 1 . 289 . . 73 SER H . 19356 1 711 . 1 1 73 73 SER HA H 1 4.265 0.008 . 1 . 624 . . 73 SER HA . 19356 1 712 . 1 1 73 73 SER HB2 H 1 3.702 0.008 . 1 . 623 . . 73 SER HB2 . 19356 1 713 . 1 1 73 73 SER C C 13 173.687 0.0893 . 1 . 650 . . 73 SER C . 19356 1 714 . 1 1 73 73 SER CA C 13 58.823 0.056 . 1 . 514 . . 73 SER CA . 19356 1 715 . 1 1 73 73 SER CB C 13 64.073 0.15 . 1 . 513 . . 73 SER CB . 19356 1 716 . 1 1 73 73 SER N N 15 115.560 0.027 . 1 . 290 . . 73 SER N . 19356 1 717 . 1 1 74 74 PHE H H 1 7.628 0.005 . 1 . 160 . . 74 PHE H . 19356 1 718 . 1 1 74 74 PHE HA H 1 4.801 0.003 . 1 . 161 . . 74 PHE HA . 19356 1 719 . 1 1 74 74 PHE HB2 H 1 2.943 0.002 . 1 . 163 . . 74 PHE HB2 . 19356 1 720 . 1 1 74 74 PHE HB3 H 1 2.854 0.004 . 1 . 162 . . 74 PHE HB3 . 19356 1 721 . 1 1 74 74 PHE HD1 H 1 6.997 0.002 . 3 . 822 . . 74 PHE HD1 . 19356 1 722 . 1 1 74 74 PHE HD2 H 1 6.997 0.002 . 3 . 822 . . 74 PHE HD2 . 19356 1 723 . 1 1 74 74 PHE HE1 H 1 7.159 0.004 . 3 . 821 . . 74 PHE HE1 . 19356 1 724 . 1 1 74 74 PHE HE2 H 1 7.159 0.004 . 3 . 821 . . 74 PHE HE2 . 19356 1 725 . 1 1 74 74 PHE C C 13 174.566 0.0893 . 1 . 388 . . 74 PHE C . 19356 1 726 . 1 1 74 74 PHE CA C 13 57.031 0.093 . 1 . 394 . . 74 PHE CA . 19356 1 727 . 1 1 74 74 PHE CB C 13 40.378 0.074 . 1 . 395 . . 74 PHE CB . 19356 1 728 . 1 1 74 74 PHE N N 15 119.446 0.015 . 1 . 364 . . 74 PHE N . 19356 1 729 . 1 1 75 75 LEU H H 1 8.832 0.011 . 1 . 154 . . 75 LEU H . 19356 1 730 . 1 1 75 75 LEU HA H 1 4.397 0.005 . 1 . 157 . . 75 LEU HA . 19356 1 731 . 1 1 75 75 LEU HB2 H 1 1.386 0.005 . 1 . 156 . . 75 LEU HB2 . 19356 1 732 . 1 1 75 75 LEU C C 13 175.529 0.0893 . 1 . 718 . . 75 LEU C . 19356 1 733 . 1 1 75 75 LEU CA C 13 54.435 0.0893 . 1 . 622 . . 75 LEU CA . 19356 1 734 . 1 1 75 75 LEU CB C 13 44.724 0.03 . 1 . 648 . . 75 LEU CB . 19356 1 735 . 1 1 75 75 LEU N N 15 123.571 0.012 . 1 . 155 . . 75 LEU N . 19356 1 736 . 1 1 76 76 ILE H H 1 7.982 0.006 . 1 . 259 . . 76 ILE H . 19356 1 737 . 1 1 76 76 ILE HA H 1 4.848 0.002 . 1 . 596 . . 76 ILE HA . 19356 1 738 . 1 1 76 76 ILE HB H 1 1.666 0.007 . 1 . 636 . . 76 ILE HB . 19356 1 739 . 1 1 76 76 ILE HG12 H 1 1.106 0.003 . 1 . 847 . . 76 ILE HG12 . 19356 1 740 . 1 1 76 76 ILE HG13 H 1 1.409 0.002 . 1 . 848 . . 76 ILE HG13 . 19356 1 741 . 1 1 76 76 ILE HG21 H 1 0.658 0.004 . 1 . 637 . . 76 ILE HG21 . 19356 1 742 . 1 1 76 76 ILE HG22 H 1 0.658 0.004 . 1 . 637 . . 76 ILE HG22 . 19356 1 743 . 1 1 76 76 ILE HG23 H 1 0.658 0.004 . 1 . 637 . . 76 ILE HG23 . 19356 1 744 . 1 1 76 76 ILE HD11 H 1 0.713 0.006 . 1 . 836 . . 76 ILE HD11 . 19356 1 745 . 1 1 76 76 ILE HD12 H 1 0.713 0.006 . 1 . 836 . . 76 ILE HD12 . 19356 1 746 . 1 1 76 76 ILE HD13 H 1 0.713 0.006 . 1 . 836 . . 76 ILE HD13 . 19356 1 747 . 1 1 76 76 ILE C C 13 176.138 0.0893 . 1 . 403 . . 76 ILE C . 19356 1 748 . 1 1 76 76 ILE CA C 13 60.540 0.173 . 1 . 634 . . 76 ILE CA . 19356 1 749 . 1 1 76 76 ILE CB C 13 37.513 0.044 . 1 . 635 . . 76 ILE CB . 19356 1 750 . 1 1 76 76 ILE CG2 C 13 17.590 0.0893 . 1 . 839 . . 76 ILE CG2 . 19356 1 751 . 1 1 76 76 ILE CD1 C 13 13.949 0.0893 . 1 . 835 . . 76 ILE CD1 . 19356 1 752 . 1 1 76 76 ILE N N 15 124.438 0.039 . 1 . 260 . . 76 ILE N . 19356 1 753 . 1 1 77 77 ILE H H 1 8.698 0.005 . 1 . 136 . . 77 ILE H . 19356 1 754 . 1 1 77 77 ILE HA H 1 4.361 0.007 . 1 . 137 . . 77 ILE HA . 19356 1 755 . 1 1 77 77 ILE HB H 1 1.513 0.006 . 1 . 649 . . 77 ILE HB . 19356 1 756 . 1 1 77 77 ILE HG12 H 1 1.028 0.003 . 1 . 846 . . 77 ILE HG12 . 19356 1 757 . 1 1 77 77 ILE HG13 H 1 1.384 0.004 . 1 . 841 . . 77 ILE HG13 . 19356 1 758 . 1 1 77 77 ILE HG21 H 1 0.832 0.002 . 1 . 224 . . 77 ILE HG21 . 19356 1 759 . 1 1 77 77 ILE HG22 H 1 0.832 0.002 . 1 . 224 . . 77 ILE HG22 . 19356 1 760 . 1 1 77 77 ILE HG23 H 1 0.832 0.002 . 1 . 224 . . 77 ILE HG23 . 19356 1 761 . 1 1 77 77 ILE HD11 H 1 0.733 0.009 . 1 . 765 . . 77 ILE HD11 . 19356 1 762 . 1 1 77 77 ILE HD12 H 1 0.733 0.009 . 1 . 765 . . 77 ILE HD12 . 19356 1 763 . 1 1 77 77 ILE HD13 H 1 0.733 0.009 . 1 . 765 . . 77 ILE HD13 . 19356 1 764 . 1 1 77 77 ILE C C 13 174.304 0.0893 . 1 . 423 . . 77 ILE C . 19356 1 765 . 1 1 77 77 ILE CA C 13 59.630 0.087 . 1 . 539 . . 77 ILE CA . 19356 1 766 . 1 1 77 77 ILE CG2 C 13 17.751 0.0893 . 1 . 837 . . 77 ILE CG2 . 19356 1 767 . 1 1 77 77 ILE CD1 C 13 14.068 0.0893 . 1 . 834 . . 77 ILE CD1 . 19356 1 768 . 1 1 77 77 ILE N N 15 126.944 0.014 . 1 . 370 . . 77 ILE N . 19356 1 769 . 1 1 78 78 ASN H H 1 8.484 0.006 . 1 . 149 . . 78 ASN H . 19356 1 770 . 1 1 78 78 ASN HA H 1 4.676 0.002 . 1 . 151 . . 78 ASN HA . 19356 1 771 . 1 1 78 78 ASN HB2 H 1 2.667 0.004 . 1 . 153 . . 78 ASN HB2 . 19356 1 772 . 1 1 78 78 ASN HB3 H 1 2.586 0.003 . 1 . 152 . . 78 ASN HB3 . 19356 1 773 . 1 1 78 78 ASN HD21 H 1 7.460 0.003 . 1 . 320 . . 78 ASN HD21 . 19356 1 774 . 1 1 78 78 ASN HD22 H 1 6.772 0.002 . 1 . 301 . . 78 ASN HD22 . 19356 1 775 . 1 1 78 78 ASN C C 13 176.799 0.0893 . 1 . 396 . . 78 ASN C . 19356 1 776 . 1 1 78 78 ASN CA C 13 54.689 0.126 . 1 . 424 . . 78 ASN CA . 19356 1 777 . 1 1 78 78 ASN CB C 13 39.625 0.131 . 1 . 397 . . 78 ASN CB . 19356 1 778 . 1 1 78 78 ASN CG C 13 176.462 0.004 . 1 . 759 . . 78 ASN CG . 19356 1 779 . 1 1 78 78 ASN N N 15 125.299 0.016 . 1 . 150 . . 78 ASN N . 19356 1 780 . 1 1 78 78 ASN ND2 N 15 113.058 0.023 . 1 . 302 . . 78 ASN ND2 . 19356 1 781 . 1 1 79 79 ALA H H 1 8.821 0.01 . 1 . 138 . . 79 ALA H . 19356 1 782 . 1 1 79 79 ALA HA H 1 3.745 0.003 . 1 . 140 . . 79 ALA HA . 19356 1 783 . 1 1 79 79 ALA HB1 H 1 1.211 0.009 . 1 . 141 . . 79 ALA HB1 . 19356 1 784 . 1 1 79 79 ALA HB2 H 1 1.211 0.009 . 1 . 141 . . 79 ALA HB2 . 19356 1 785 . 1 1 79 79 ALA HB3 H 1 1.211 0.009 . 1 . 141 . . 79 ALA HB3 . 19356 1 786 . 1 1 79 79 ALA C C 13 178.800 0.0893 . 1 . 452 . . 79 ALA C . 19356 1 787 . 1 1 79 79 ALA CA C 13 55.261 0.154 . 1 . 572 . . 79 ALA CA . 19356 1 788 . 1 1 79 79 ALA CB C 13 18.374 0.136 . 1 . 571 . . 79 ALA CB . 19356 1 789 . 1 1 79 79 ALA N N 15 128.349 0.04 . 1 . 139 . . 79 ALA N . 19356 1 790 . 1 1 80 80 ALA H H 1 8.323 0.008 . 1 . 120 . . 80 ALA H . 19356 1 791 . 1 1 80 80 ALA HA H 1 4.215 0.004 . 1 . 122 . . 80 ALA HA . 19356 1 792 . 1 1 80 80 ALA HB1 H 1 1.307 0.004 . 1 . 121 . . 80 ALA HB1 . 19356 1 793 . 1 1 80 80 ALA HB2 H 1 1.307 0.004 . 1 . 121 . . 80 ALA HB2 . 19356 1 794 . 1 1 80 80 ALA HB3 H 1 1.307 0.004 . 1 . 121 . . 80 ALA HB3 . 19356 1 795 . 1 1 80 80 ALA C C 13 178.412 0.0893 . 1 . 477 . . 80 ALA C . 19356 1 796 . 1 1 80 80 ALA CA C 13 53.787 0.047 . 1 . 478 . . 80 ALA CA . 19356 1 797 . 1 1 80 80 ALA CB C 13 18.364 0.111 . 1 . 573 . . 80 ALA CB . 19356 1 798 . 1 1 80 80 ALA N N 15 118.200 0.031 . 1 . 344 . . 80 ALA N . 19356 1 799 . 1 1 81 81 ASN H H 1 8.211 0.006 . 1 . 103 . . 81 ASN H . 19356 1 800 . 1 1 81 81 ASN HA H 1 4.823 0.004 . 1 . 104 . . 81 ASN HA . 19356 1 801 . 1 1 81 81 ASN HB2 H 1 3.051 0.006 . 1 . 594 . . 81 ASN HB2 . 19356 1 802 . 1 1 81 81 ASN HB3 H 1 2.944 0.006 . 1 . 595 . . 81 ASN HB3 . 19356 1 803 . 1 1 81 81 ASN C C 13 174.199 0.0893 . 1 . 527 . . 81 ASN C . 19356 1 804 . 1 1 81 81 ASN CA C 13 53.760 0.089 . 1 . 479 . . 81 ASN CA . 19356 1 805 . 1 1 81 81 ASN CB C 13 39.321 0.036 . 1 . 480 . . 81 ASN CB . 19356 1 806 . 1 1 81 81 ASN N N 15 114.944 0.027 . 1 . 330 . . 81 ASN N . 19356 1 807 . 1 1 82 82 CYS H H 1 7.803 0.006 . 1 . 7 . . 82 CYS H . 19356 1 808 . 1 1 82 82 CYS HA H 1 5.595 0.003 . 1 . 9 . . 82 CYS HA . 19356 1 809 . 1 1 82 82 CYS HB2 H 1 2.814 0.003 . 1 . 10 . . 82 CYS HB2 . 19356 1 810 . 1 1 82 82 CYS HB3 H 1 2.587 0.006 . 1 . 8 . . 82 CYS HB3 . 19356 1 811 . 1 1 82 82 CYS C C 13 171.921 0.0893 . 1 . 409 . . 82 CYS C . 19356 1 812 . 1 1 82 82 CYS CA C 13 56.438 0.108 . 1 . 528 . . 82 CYS CA . 19356 1 813 . 1 1 82 82 CYS CB C 13 49.391 0.055 . 1 . 529 . . 82 CYS CB . 19356 1 814 . 1 1 82 82 CYS N N 15 116.754 0.023 . 1 . 225 . . 82 CYS N . 19356 1 815 . 1 1 83 83 GLN H H 1 9.149 0.005 . 1 . 65 . . 83 GLN H . 19356 1 816 . 1 1 83 83 GLN HA H 1 4.523 0.003 . 1 . 67 . . 83 GLN HA . 19356 1 817 . 1 1 83 83 GLN HB2 H 1 1.495 0.003 . 1 . 180 . . 83 GLN HB2 . 19356 1 818 . 1 1 83 83 GLN HB3 H 1 1.377 0.007 . 1 . 68 . . 83 GLN HB3 . 19356 1 819 . 1 1 83 83 GLN HG2 H 1 1.626 0.01 . 1 . 69 . . 83 GLN HG2 . 19356 1 820 . 1 1 83 83 GLN HG3 H 1 1.637 0.02 . 1 . 181 . . 83 GLN HG3 . 19356 1 821 . 1 1 83 83 GLN C C 13 175.349 0.0893 . 1 . 445 . . 83 GLN C . 19356 1 822 . 1 1 83 83 GLN CA C 13 53.823 0.077 . 1 . 555 . . 83 GLN CA . 19356 1 823 . 1 1 83 83 GLN CB C 13 32.507 0.148 . 1 . 574 . . 83 GLN CB . 19356 1 824 . 1 1 83 83 GLN N N 15 119.025 0.043 . 1 . 66 . . 83 GLN N . 19356 1 825 . 1 1 84 84 THR H H 1 8.357 0.006 . 1 . 131 . . 84 THR H . 19356 1 826 . 1 1 84 84 THR HA H 1 3.851 0.001 . 1 . 134 . . 84 THR HA . 19356 1 827 . 1 1 84 84 THR HB H 1 4.245 0.002 . 1 . 135 . . 84 THR HB . 19356 1 828 . 1 1 84 84 THR HG21 H 1 1.156 0.007 . 1 . 133 . . 84 THR HG21 . 19356 1 829 . 1 1 84 84 THR HG22 H 1 1.156 0.007 . 1 . 133 . . 84 THR HG22 . 19356 1 830 . 1 1 84 84 THR HG23 H 1 1.156 0.007 . 1 . 133 . . 84 THR HG23 . 19356 1 831 . 1 1 84 84 THR CA C 13 61.506 0.0893 . 1 . 443 . . 84 THR CA . 19356 1 832 . 1 1 84 84 THR CB C 13 69.640 0.0893 . 1 . 444 . . 84 THR CB . 19356 1 833 . 1 1 84 84 THR N N 15 120.638 0.015 . 1 . 132 . . 84 THR N . 19356 1 834 . 1 1 85 85 PRO HA H 1 4.423 0.005 . 1 . 195 . . 85 PRO HA . 19356 1 835 . 1 1 85 85 PRO HB2 H 1 2.432 0.005 . 1 . 193 . . 85 PRO HB2 . 19356 1 836 . 1 1 85 85 PRO HB3 H 1 2.101 0.003 . 1 . 632 . . 85 PRO HB3 . 19356 1 837 . 1 1 85 85 PRO HG2 H 1 1.910 0.006 . 1 . 633 . . 85 PRO HG2 . 19356 1 838 . 1 1 85 85 PRO HG3 H 1 1.748 0.005 . 1 . 194 . . 85 PRO HG3 . 19356 1 839 . 1 1 85 85 PRO HD2 H 1 3.296 0.002 . 1 . 192 . . 85 PRO HD2 . 19356 1 840 . 1 1 85 85 PRO HD3 H 1 3.919 0.003 . 1 . 824 . . 85 PRO HD3 . 19356 1 841 . 1 1 85 85 PRO C C 13 175.886 0.0893 . 1 . 404 . . 85 PRO C . 19356 1 842 . 1 1 85 85 PRO CA C 13 62.703 0.079 . 1 . 407 . . 85 PRO CA . 19356 1 843 . 1 1 85 85 PRO CB C 13 32.483 0.078 . 1 . 406 . . 85 PRO CB . 19356 1 844 . 1 1 86 86 ALA H H 1 8.639 0.007 . 1 . 88 . . 86 ALA H . 19356 1 845 . 1 1 86 86 ALA HA H 1 4.100 0.001 . 1 . 190 . . 86 ALA HA . 19356 1 846 . 1 1 86 86 ALA HB1 H 1 1.309 0.034 . 1 . 191 . . 86 ALA HB1 . 19356 1 847 . 1 1 86 86 ALA HB2 H 1 1.309 0.034 . 1 . 191 . . 86 ALA HB2 . 19356 1 848 . 1 1 86 86 ALA HB3 H 1 1.309 0.034 . 1 . 191 . . 86 ALA HB3 . 19356 1 849 . 1 1 86 86 ALA C C 13 178.717 0.0893 . 1 . 429 . . 86 ALA C . 19356 1 850 . 1 1 86 86 ALA CA C 13 53.583 0.164 . 1 . 431 . . 86 ALA CA . 19356 1 851 . 1 1 86 86 ALA CB C 13 18.598 0.142 . 1 . 405 . . 86 ALA CB . 19356 1 852 . 1 1 86 86 ALA N N 15 125.498 0.032 . 1 . 89 . . 86 ALA N . 19356 1 853 . 1 1 87 87 GLY H H 1 8.417 0.065 . 1 . 187 . . 87 GLY H . 19356 1 854 . 1 1 87 87 GLY HA2 H 1 4.018 0.002 . 1 . 188 . . 87 GLY HA2 . 19356 1 855 . 1 1 87 87 GLY HA3 H 1 3.641 0.002 . 1 . 189 . . 87 GLY HA3 . 19356 1 856 . 1 1 87 87 GLY C C 13 173.932 0.0893 . 1 . 547 . . 87 GLY C . 19356 1 857 . 1 1 87 87 GLY CA C 13 45.568 0.116 . 1 . 430 . . 87 GLY CA . 19356 1 858 . 1 1 87 87 GLY N N 15 109.437 0.037 . 1 . 371 . . 87 GLY N . 19356 1 859 . 1 1 88 88 LEU H H 1 7.534 0.01 . 1 . 182 . . 88 LEU H . 19356 1 860 . 1 1 88 88 LEU HA H 1 4.381 0.002 . 1 . 186 . . 88 LEU HA . 19356 1 861 . 1 1 88 88 LEU HB2 H 1 1.449 0.013 . 1 . 183 . . 88 LEU HB2 . 19356 1 862 . 1 1 88 88 LEU HG H 1 1.366 0.001 . 1 . 184 . . 88 LEU HG . 19356 1 863 . 1 1 88 88 LEU HD11 H 1 0.662 0.005 . 1 . 185 . . 88 LEU HD11 . 19356 1 864 . 1 1 88 88 LEU HD12 H 1 0.662 0.005 . 1 . 185 . . 88 LEU HD12 . 19356 1 865 . 1 1 88 88 LEU HD13 H 1 0.662 0.005 . 1 . 185 . . 88 LEU HD13 . 19356 1 866 . 1 1 88 88 LEU CA C 13 53.569 0.0893 . 1 . 532 . . 88 LEU CA . 19356 1 867 . 1 1 88 88 LEU CB C 13 42.583 0.0893 . 1 . 531 . . 88 LEU CB . 19356 1 868 . 1 1 88 88 LEU N N 15 121.410 0.054 . 1 . 317 . . 88 LEU N . 19356 1 stop_ save_