################################### # 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 19541 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4ca9/ebi/EBI-58449.csh' _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 8 2D 1 $sample_1 solution 19541 1 9 S2_CNOE 1 $sample_1 solution 19541 1 10 S3_NNOE 1 $sample_1 solution 19541 1 11 C13_D2O 1 $sample_1 solution 19541 1 12 M0 1 $sample_1 solution 19541 1 13 N15 1 $sample_1 solution 19541 1 14 NOE2H15N 1 $sample_1 solution 19541 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 MET H H 1 8.386 0.144 . 1 . . 876 . . 5 MET H . 19541 1 2 . 1 1 5 5 MET CA C 13 54.825 0.004 . 1 . . 535 . . 5 MET CA . 19541 1 3 . 1 1 5 5 MET CB C 13 32.282 0.034 . 1 . . 537 . . 5 MET CB . 19541 1 4 . 1 1 5 5 MET N N 15 112.972 4.568 . 1 . . 450 . . 5 MET N . 19541 1 5 . 1 1 6 6 ALA H H 1 8.323 0.068 . 1 . . 237 . . 6 ALA H . 19541 1 6 . 1 1 6 6 ALA CA C 13 51.863 0.227 . 1 . . 737 . . 6 ALA CA . 19541 1 7 . 1 1 6 6 ALA CB C 13 18.665 0.113 . 1 . . 735 . . 6 ALA CB . 19541 1 8 . 1 1 6 6 ALA N N 15 124.342 2.088 . 1 . . 239 . . 6 ALA N . 19541 1 9 . 1 1 7 7 MET CA C 13 55.095 0.05 . 1 . . 983 . . 7 MET CA . 19541 1 10 . 1 1 8 8 PHE H H 1 9.594 0.004 . 1 . . 454 . . 8 PHE H . 19541 1 11 . 1 1 8 8 PHE CA C 13 60.759 0.004 . 1 . . 820 . . 8 PHE CA . 19541 1 12 . 1 1 8 8 PHE CB C 13 38.628 0.034 . 1 . . 1131 . . 8 PHE CB . 19541 1 13 . 1 1 8 8 PHE N N 15 122.548 0.008 . 1 . . 455 . . 8 PHE N . 19541 1 14 . 1 1 9 9 TRP H H 1 6.578 0.002 . 1 . . 1 . . 9 TRP H . 19541 1 15 . 1 1 9 9 TRP HE1 H 1 8.910 . . 1 . . 1147 . . 9 TRP HE1 . 19541 1 16 . 1 1 9 9 TRP CA C 13 56.678 0.004 . 1 . . 680 . . 9 TRP CA . 19541 1 17 . 1 1 9 9 TRP CB C 13 31.669 0.004 . 1 . . 710 . . 9 TRP CB . 19541 1 18 . 1 1 9 9 TRP N N 15 129.524 0.003 . 1 . . 3 . . 9 TRP N . 19541 1 19 . 1 1 9 9 TRP NE1 N 15 126.905 . . 1 . . 1148 . . 9 TRP NE1 . 19541 1 20 . 1 1 10 10 GLY H H 1 6.437 0.003 . 1 . . 17 . . 10 GLY H . 19541 1 21 . 1 1 10 10 GLY CA C 13 44.436 0.053 . 1 . . 987 . . 10 GLY CA . 19541 1 22 . 1 1 10 10 GLY N N 15 109.637 0.001 . 1 . . 308 . . 10 GLY N . 19541 1 23 . 1 1 11 11 LEU H H 1 8.533 0.004 . 1 . . 16 . . 11 LEU H . 19541 1 24 . 1 1 11 11 LEU CA C 13 53.984 0.01 . 1 . . 610 . . 11 LEU CA . 19541 1 25 . 1 1 11 11 LEU CB C 13 45.717 0.086 . 1 . . 1133 . . 11 LEU CB . 19541 1 26 . 1 1 11 11 LEU N N 15 121.113 0.011 . 1 . . 307 . . 11 LEU N . 19541 1 27 . 1 1 12 12 ASN H H 1 8.715 0.002 . 1 . . 10 . . 12 ASN H . 19541 1 28 . 1 1 12 12 ASN CA C 13 52.136 0.0 . 1 . . 681 . . 12 ASN CA . 19541 1 29 . 1 1 12 12 ASN CB C 13 38.353 0.003 . 1 . . 730 . . 12 ASN CB . 19541 1 30 . 1 1 12 12 ASN N N 15 126.551 0.003 . 1 . . 11 . . 12 ASN N . 19541 1 31 . 1 1 13 13 MET H H 1 8.861 0.003 . 1 . . 12 . . 13 MET H . 19541 1 32 . 1 1 13 13 MET CA C 13 54.538 0.003 . 1 . . 824 . . 13 MET CA . 19541 1 33 . 1 1 13 13 MET CB C 13 34.600 0.027 . 1 . . 1127 . . 13 MET CB . 19541 1 34 . 1 1 13 13 MET N N 15 119.997 0.017 . 1 . . 13 . . 13 MET N . 19541 1 35 . 1 1 14 14 LYS H H 1 8.708 0.003 . 1 . . 20 . . 14 LYS H . 19541 1 36 . 1 1 14 14 LYS CA C 13 52.774 . . 1 . . 846 . . 14 LYS CA . 19541 1 37 . 1 1 14 14 LYS CB C 13 31.430 . . 1 . . 1126 . . 14 LYS CB . 19541 1 38 . 1 1 14 14 LYS N N 15 125.418 0.011 . 1 . . 21 . . 14 LYS N . 19541 1 39 . 1 1 15 15 PRO CA C 13 62.867 . . 1 . . 840 . . 15 PRO CA . 19541 1 40 . 1 1 15 15 PRO CB C 13 31.506 . . 1 . . 800 . . 15 PRO CB . 19541 1 41 . 1 1 16 16 GLU H H 1 8.307 0.004 . 1 . . 407 . . 16 GLU H . 19541 1 42 . 1 1 16 16 GLU CA C 13 58.527 0.005 . 1 . . 683 . . 16 GLU CA . 19541 1 43 . 1 1 16 16 GLU CB C 13 26.502 0.011 . 1 . . 628 . . 16 GLU CB . 19541 1 44 . 1 1 16 16 GLU N N 15 114.673 0.03 . 1 . . 408 . . 16 GLU N . 19541 1 45 . 1 1 17 17 ARG H H 1 7.791 0.004 . 1 . . 205 . . 17 ARG H . 19541 1 46 . 1 1 17 17 ARG CA C 13 55.261 0.05 . 1 . . 829 . . 17 ARG CA . 19541 1 47 . 1 1 17 17 ARG CB C 13 30.198 0.002 . 1 . . 705 . . 17 ARG CB . 19541 1 48 . 1 1 17 17 ARG N N 15 120.709 0.003 . 1 . . 206 . . 17 ARG N . 19541 1 49 . 1 1 18 18 LYS H H 1 8.427 0.004 . 1 . . 210 . . 18 LYS H . 19541 1 50 . 1 1 18 18 LYS CA C 13 55.461 0.043 . 1 . . 997 . . 18 LYS CA . 19541 1 51 . 1 1 18 18 LYS CB C 13 31.616 0.0 . 1 . . 1130 . . 18 LYS CB . 19541 1 52 . 1 1 18 18 LYS N N 15 120.918 0.01 . 1 . . 211 . . 18 LYS N . 19541 1 53 . 1 1 19 19 TYR H H 1 9.221 0.004 . 1 . . 411 . . 19 TYR H . 19541 1 54 . 1 1 19 19 TYR CA C 13 57.109 0.017 . 1 . . 834 . . 19 TYR CA . 19541 1 55 . 1 1 19 19 TYR CB C 13 37.181 0.021 . 1 . . 1129 . . 19 TYR CB . 19541 1 56 . 1 1 19 19 TYR N N 15 123.164 0.009 . 1 . . 412 . . 19 TYR N . 19541 1 57 . 1 1 20 20 SER H H 1 8.921 0.001 . 1 . . 142 . . 20 SER H . 19541 1 58 . 1 1 20 20 SER CA C 13 58.496 0.005 . 1 . . 764 . . 20 SER CA . 19541 1 59 . 1 1 20 20 SER CB C 13 62.528 0.007 . 1 . . 526 . . 20 SER CB . 19541 1 60 . 1 1 20 20 SER N N 15 122.548 0.012 . 1 . . 144 . . 20 SER N . 19541 1 61 . 1 1 21 21 GLN H H 1 8.395 0.002 . 1 . . 146 . . 21 GLN H . 19541 1 62 . 1 1 21 21 GLN CA C 13 54.049 0.054 . 1 . . 684 . . 21 GLN CA . 19541 1 63 . 1 1 21 21 GLN CB C 13 29.268 0.002 . 1 . . 1145 . . 21 GLN CB . 19541 1 64 . 1 1 21 21 GLN N N 15 122.853 0.016 . 1 . . 150 . . 21 GLN N . 19541 1 65 . 1 1 22 22 THR H H 1 8.905 0.003 . 1 . . 133 . . 22 THR H . 19541 1 66 . 1 1 22 22 THR CA C 13 62.086 0.009 . 1 . . 525 . . 22 THR CA . 19541 1 67 . 1 1 22 22 THR CB C 13 68.221 0.004 . 1 . . 685 . . 22 THR CB . 19541 1 68 . 1 1 22 22 THR N N 15 122.753 0.01 . 1 . . 135 . . 22 THR N . 19541 1 69 . 1 1 23 23 ILE H H 1 8.793 0.004 . 1 . . 139 . . 23 ILE H . 19541 1 70 . 1 1 23 23 ILE CA C 13 61.948 0.033 . 1 . . 690 . . 23 ILE CA . 19541 1 71 . 1 1 23 23 ILE CB C 13 37.012 0.012 . 1 . . 692 . . 23 ILE CB . 19541 1 72 . 1 1 23 23 ILE N N 15 127.989 0.008 . 1 . . 140 . . 23 ILE N . 19541 1 73 . 1 1 24 24 ILE H H 1 8.398 0.005 . 1 . . 183 . . 24 ILE H . 19541 1 74 . 1 1 24 24 ILE CA C 13 61.370 0.005 . 1 . . 688 . . 24 ILE CA . 19541 1 75 . 1 1 24 24 ILE CB C 13 37.505 0.073 . 1 . . 687 . . 24 ILE CB . 19541 1 76 . 1 1 24 24 ILE N N 15 125.414 0.016 . 1 . . 185 . . 24 ILE N . 19541 1 77 . 1 1 25 25 LYS H H 1 7.715 0.004 . 1 . . 235 . . 25 LYS H . 19541 1 78 . 1 1 25 25 LYS CA C 13 54.458 0.046 . 1 . . 759 . . 25 LYS CA . 19541 1 79 . 1 1 25 25 LYS CB C 13 34.081 0.006 . 1 . . 760 . . 25 LYS CB . 19541 1 80 . 1 1 25 25 LYS N N 15 119.789 0.009 . 1 . . 236 . . 25 LYS N . 19541 1 81 . 1 1 26 26 SER H H 1 8.646 0.003 . 1 . . 232 . . 26 SER H . 19541 1 82 . 1 1 26 26 SER CA C 13 58.787 0.004 . 1 . . 831 . . 26 SER CA . 19541 1 83 . 1 1 26 26 SER CB C 13 62.559 0.058 . 1 . . 527 . . 26 SER CB . 19541 1 84 . 1 1 26 26 SER N N 15 117.427 0.001 . 1 . . 424 . . 26 SER N . 19541 1 85 . 1 1 27 27 PHE H H 1 8.438 0.005 . 1 . . 231 . . 27 PHE H . 19541 1 86 . 1 1 27 27 PHE CA C 13 55.660 0.042 . 1 . . 853 . . 27 PHE CA . 19541 1 87 . 1 1 27 27 PHE CB C 13 41.082 0.011 . 1 . . 1137 . . 27 PHE CB . 19541 1 88 . 1 1 27 27 PHE N N 15 118.658 0.0 . 1 . . 233 . . 27 PHE N . 19541 1 89 . 1 1 28 28 HIS H H 1 8.738 0.005 . 1 . . 317 . . 28 HIS H . 19541 1 90 . 1 1 28 28 HIS CA C 13 52.176 0.003 . 1 . . 1007 . . 28 HIS CA . 19541 1 91 . 1 1 28 28 HIS CB C 13 31.202 . . 1 . . 1138 . . 28 HIS CB . 19541 1 92 . 1 1 28 28 HIS N N 15 118.655 0.006 . 1 . . 319 . . 28 HIS N . 19541 1 93 . 1 1 29 29 ILE H H 1 8.176 0.004 . 1 . . 428 . . 29 ILE H . 19541 1 94 . 1 1 29 29 ILE CA C 13 60.264 0.013 . 1 . . 1009 . . 29 ILE CA . 19541 1 95 . 1 1 29 29 ILE CB C 13 38.173 0.019 . 1 . . 839 . . 29 ILE CB . 19541 1 96 . 1 1 29 29 ILE N N 15 123.993 0.012 . 1 . . 429 . . 29 ILE N . 19541 1 97 . 1 1 30 30 SER H H 1 9.583 0.007 . 1 . . 43 . . 30 SER H . 19541 1 98 . 1 1 30 30 SER CA C 13 56.486 0.058 . 1 . . 790 . . 30 SER CA . 19541 1 99 . 1 1 30 30 SER CB C 13 66.448 . . 1 . . 741 . . 30 SER CB . 19541 1 100 . 1 1 30 30 SER N N 15 118.550 0.01 . 1 . . 44 . . 30 SER N . 19541 1 101 . 1 1 31 31 GLY H H 1 7.987 0.006 . 1 . . 41 . . 31 GLY H . 19541 1 102 . 1 1 31 31 GLY CA C 13 46.275 0.056 . 1 . . 767 . . 31 GLY CA . 19541 1 103 . 1 1 31 31 GLY N N 15 111.072 0.001 . 1 . . 435 . . 31 GLY N . 19541 1 104 . 1 1 32 32 VAL H H 1 8.213 0.003 . 1 . . 40 . . 32 VAL H . 19541 1 105 . 1 1 32 32 VAL CA C 13 57.566 0.06 . 1 . . 818 . . 32 VAL CA . 19541 1 106 . 1 1 32 32 VAL CB C 13 33.010 . . 1 . . 766 . . 32 VAL CB . 19541 1 107 . 1 1 32 32 VAL N N 15 117.324 0.004 . 1 . . 42 . . 32 VAL N . 19541 1 108 . 1 1 33 33 ALA H H 1 8.402 0.001 . 1 . . 30 . . 33 ALA H . 19541 1 109 . 1 1 33 33 ALA CA C 13 50.899 0.009 . 1 . . 697 . . 33 ALA CA . 19541 1 110 . 1 1 33 33 ALA CB C 13 22.580 0.055 . 1 . . 567 . . 33 ALA CB . 19541 1 111 . 1 1 33 33 ALA N N 15 127.583 0.017 . 1 . . 38 . . 33 ALA N . 19541 1 112 . 1 1 34 34 LEU H H 1 8.916 0.004 . 1 . . 37 . . 34 LEU H . 19541 1 113 . 1 1 34 34 LEU CA C 13 54.861 0.04 . 1 . . 608 . . 34 LEU CA . 19541 1 114 . 1 1 34 34 LEU CB C 13 43.712 0.037 . 1 . . 649 . . 34 LEU CB . 19541 1 115 . 1 1 34 34 LEU N N 15 120.011 0.047 . 1 . . 90 . . 34 LEU N . 19541 1 116 . 1 1 35 35 ASP H H 1 8.919 0.004 . 1 . . 50 . . 35 ASP H . 19541 1 117 . 1 1 35 35 ASP CA C 13 54.267 0.043 . 1 . . 1015 . . 35 ASP CA . 19541 1 118 . 1 1 35 35 ASP CB C 13 40.840 0.008 . 1 . . 573 . . 35 ASP CB . 19541 1 119 . 1 1 35 35 ASP N N 15 124.668 0.047 . 1 . . 51 . . 35 ASP N . 19541 1 120 . 1 1 36 36 LYS H H 1 7.413 0.007 . 1 . . 52 . . 36 LYS H . 19541 1 121 . 1 1 36 36 LYS CA C 13 54.367 0.023 . 1 . . 574 . . 36 LYS CA . 19541 1 122 . 1 1 36 36 LYS CB C 13 33.979 0.011 . 1 . . 570 . . 36 LYS CB . 19541 1 123 . 1 1 36 36 LYS N N 15 115.691 0.012 . 1 . . 53 . . 36 LYS N . 19541 1 124 . 1 1 37 37 GLY H H 1 8.087 0.009 . 1 . . 54 . . 37 GLY H . 19541 1 125 . 1 1 37 37 GLY CA C 13 43.187 0.012 . 1 . . 565 . . 37 GLY CA . 19541 1 126 . 1 1 37 37 GLY N N 15 108.300 0.013 . 1 . . 58 . . 37 GLY N . 19541 1 127 . 1 1 38 38 GLN H H 1 10.340 0.005 . 1 . . 60 . . 38 GLN H . 19541 1 128 . 1 1 38 38 GLN CA C 13 57.556 0.003 . 1 . . 523 . . 38 GLN CA . 19541 1 129 . 1 1 38 38 GLN CB C 13 29.233 0.036 . 1 . . 563 . . 38 GLN CB . 19541 1 130 . 1 1 38 38 GLN N N 15 117.762 0.048 . 1 . . 61 . . 38 GLN N . 19541 1 131 . 1 1 39 39 GLU H H 1 9.059 0.003 . 1 . . 57 . . 39 GLU H . 19541 1 132 . 1 1 39 39 GLU CA C 13 55.500 0.01 . 1 . . 679 . . 39 GLU CA . 19541 1 133 . 1 1 39 39 GLU CB C 13 32.588 0.001 . 1 . . 754 . . 39 GLU CB . 19541 1 134 . 1 1 39 39 GLU N N 15 119.372 0.008 . 1 . . 59 . . 39 GLU N . 19541 1 135 . 1 1 40 40 ALA H H 1 9.028 0.005 . 1 . . 65 . . 40 ALA H . 19541 1 136 . 1 1 40 40 ALA CA C 13 51.627 0.039 . 1 . . 812 . . 40 ALA CA . 19541 1 137 . 1 1 40 40 ALA CB C 13 21.917 0.015 . 1 . . 677 . . 40 ALA CB . 19541 1 138 . 1 1 40 40 ALA N N 15 125.216 0.003 . 1 . . 67 . . 40 ALA N . 19541 1 139 . 1 1 41 41 LYS H H 1 8.866 0.005 . 1 . . 93 . . 41 LYS H . 19541 1 140 . 1 1 41 41 LYS CA C 13 55.004 0.032 . 1 . . 1021 . . 41 LYS CA . 19541 1 141 . 1 1 41 41 LYS CB C 13 33.660 . . 1 . . 1134 . . 41 LYS CB . 19541 1 142 . 1 1 41 41 LYS N N 15 120.606 0.001 . 1 . . 95 . . 41 LYS N . 19541 1 143 . 1 1 42 42 LEU H H 1 9.129 0.006 . 1 . . 261 . . 42 LEU H . 19541 1 144 . 1 1 42 42 LEU CA C 13 53.522 0.035 . 1 . . 1023 . . 42 LEU CA . 19541 1 145 . 1 1 42 42 LEU CB C 13 43.199 . . 1 . . 1128 . . 42 LEU CB . 19541 1 146 . 1 1 42 42 LEU N N 15 123.670 0.019 . 1 . . 262 . . 42 LEU N . 19541 1 147 . 1 1 43 43 TYR H H 1 9.277 0.003 . 1 . . 381 . . 43 TYR H . 19541 1 148 . 1 1 43 43 TYR CA C 13 56.646 0.004 . 1 . . 757 . . 43 TYR CA . 19541 1 149 . 1 1 43 43 TYR CB C 13 41.035 . . 1 . . 1146 . . 43 TYR CB . 19541 1 150 . 1 1 43 43 TYR N N 15 125.420 0.006 . 1 . . 399 . . 43 TYR N . 19541 1 151 . 1 1 44 44 LEU H H 1 8.732 0.001 . 1 . . 110 . . 44 LEU H . 19541 1 152 . 1 1 44 44 LEU CA C 13 52.382 0.001 . 1 . . 580 . . 44 LEU CA . 19541 1 153 . 1 1 44 44 LEU N N 15 118.626 0.232 . 1 . . 112 . . 44 LEU N . 19541 1 154 . 1 1 45 45 ALA H H 1 9.069 0.004 . 1 . . 48 . . 45 ALA H . 19541 1 155 . 1 1 45 45 ALA CA C 13 49.708 0.055 . 1 . . 551 . . 45 ALA CA . 19541 1 156 . 1 1 45 45 ALA CB C 13 20.448 0.002 . 1 . . 511 . . 45 ALA CB . 19541 1 157 . 1 1 45 45 ALA N N 15 125.931 0.009 . 1 . . 72 . . 45 ALA N . 19541 1 158 . 1 1 46 46 ALA H H 1 8.554 0.004 . 1 . . 68 . . 46 ALA H . 19541 1 159 . 1 1 46 46 ALA CA C 13 50.746 0.009 . 1 . . 827 . . 46 ALA CA . 19541 1 160 . 1 1 46 46 ALA CB C 13 20.298 0.005 . 1 . . 510 . . 46 ALA CB . 19541 1 161 . 1 1 46 46 ALA N N 15 124.713 0.018 . 1 . . 70 . . 46 ALA N . 19541 1 162 . 1 1 47 47 GLU H H 1 9.453 0.003 . 1 . . 74 . . 47 GLU H . 19541 1 163 . 1 1 47 47 GLU CA C 13 57.015 0.027 . 1 . . 518 . . 47 GLU CA . 19541 1 164 . 1 1 47 47 GLU CB C 13 26.567 0.002 . 1 . . 627 . . 47 GLU CB . 19541 1 165 . 1 1 47 47 GLU N N 15 122.138 0.012 . 1 . . 182 . . 47 GLU N . 19541 1 166 . 1 1 48 48 LYS H H 1 8.595 0.008 . 1 . . 213 . . 48 LYS H . 19541 1 167 . 1 1 48 48 LYS CA C 13 57.067 0.029 . 1 . . 519 . . 48 LYS CA . 19541 1 168 . 1 1 48 48 LYS CB C 13 29.617 0.029 . 1 . . 630 . . 48 LYS CB . 19541 1 169 . 1 1 48 48 LYS N N 15 111.998 0.006 . 1 . . 215 . . 48 LYS N . 19541 1 170 . 1 1 49 49 GLN H H 1 7.853 0.003 . 1 . . 75 . . 49 GLN H . 19541 1 171 . 1 1 49 49 GLN CA C 13 54.040 0.015 . 1 . . 631 . . 49 GLN CA . 19541 1 172 . 1 1 49 49 GLN CB C 13 31.379 0.021 . 1 . . 633 . . 49 GLN CB . 19541 1 173 . 1 1 49 49 GLN N N 15 118.659 0.003 . 1 . . 217 . . 49 GLN N . 19541 1 174 . 1 1 50 50 GLU H H 1 8.068 0.005 . 1 . . 329 . . 50 GLU H . 19541 1 175 . 1 1 50 50 GLU CA C 13 54.760 0.049 . 1 . . 634 . . 50 GLU CA . 19541 1 176 . 1 1 50 50 GLU CB C 13 31.879 0.028 . 1 . . 635 . . 50 GLU CB . 19541 1 177 . 1 1 50 50 GLU N N 15 120.502 0.001 . 1 . . 336 . . 50 GLU N . 19541 1 178 . 1 1 51 51 TYR H H 1 9.484 0.004 . 1 . . 73 . . 51 TYR H . 19541 1 179 . 1 1 51 51 TYR CA C 13 56.163 0.029 . 1 . . 836 . . 51 TYR CA . 19541 1 180 . 1 1 51 51 TYR CB C 13 40.526 0.035 . 1 . . 838 . . 51 TYR CB . 19541 1 181 . 1 1 51 51 TYR N N 15 123.270 0.001 . 1 . . 243 . . 51 TYR N . 19541 1 182 . 1 1 52 52 ILE H H 1 8.401 0.004 . 1 . . 186 . . 52 ILE H . 19541 1 183 . 1 1 52 52 ILE CA C 13 57.920 0.022 . 1 . . 817 . . 52 ILE CA . 19541 1 184 . 1 1 52 52 ILE CB C 13 37.931 0.024 . 1 . . 637 . . 52 ILE CB . 19541 1 185 . 1 1 52 52 ILE N N 15 121.635 0.013 . 1 . . 188 . . 52 ILE N . 19541 1 186 . 1 1 53 53 VAL H H 1 8.750 0.004 . 1 . . 192 . . 53 VAL H . 19541 1 187 . 1 1 53 53 VAL CA C 13 62.009 0.056 . 1 . . 778 . . 53 VAL CA . 19541 1 188 . 1 1 53 53 VAL CB C 13 31.993 . . 1 . . 826 . . 53 VAL CB . 19541 1 189 . 1 1 53 53 VAL N N 15 123.676 0.011 . 1 . . 193 . . 53 VAL N . 19541 1 190 . 1 1 54 54 ALA H H 1 7.108 0.005 . 1 . . 159 . . 54 ALA H . 19541 1 191 . 1 1 54 54 ALA CA C 13 51.009 0.034 . 1 . . 641 . . 54 ALA CA . 19541 1 192 . 1 1 54 54 ALA CB C 13 22.244 0.008 . 1 . . 642 . . 54 ALA CB . 19541 1 193 . 1 1 54 54 ALA N N 15 112.498 0.019 . 1 . . 161 . . 54 ALA N . 19541 1 194 . 1 1 55 55 THR H H 1 9.107 0.003 . 1 . . 154 . . 55 THR H . 19541 1 195 . 1 1 55 55 THR CA C 13 62.616 0.008 . 1 . . 833 . . 55 THR CA . 19541 1 196 . 1 1 55 55 THR CB C 13 69.749 0.001 . 1 . . 643 . . 55 THR CB . 19541 1 197 . 1 1 55 55 THR N N 15 117.734 0.003 . 1 . . 156 . . 55 THR N . 19541 1 198 . 1 1 56 56 VAL H H 1 8.970 0.004 . 1 . . 119 . . 56 VAL H . 19541 1 199 . 1 1 56 56 VAL CA C 13 58.483 0.017 . 1 . . 645 . . 56 VAL CA . 19541 1 200 . 1 1 56 56 VAL CB C 13 33.223 0.042 . 1 . . 640 . . 56 VAL CB . 19541 1 201 . 1 1 56 56 VAL N N 15 119.588 0.017 . 1 . . 122 . . 56 VAL N . 19541 1 202 . 1 1 57 57 THR H H 1 8.043 0.004 . 1 . . 125 . . 57 THR H . 19541 1 203 . 1 1 57 57 THR CA C 13 58.595 0.014 . 1 . . 516 . . 57 THR CA . 19541 1 204 . 1 1 57 57 THR CB C 13 73.512 0.011 . 1 . . 646 . . 57 THR CB . 19541 1 205 . 1 1 57 57 THR N N 15 112.296 0.013 . 1 . . 126 . . 57 THR N . 19541 1 206 . 1 1 58 58 LYS H H 1 7.787 0.004 . 1 . . 64 . . 58 LYS H . 19541 1 207 . 1 1 58 58 LYS CA C 13 59.015 0.046 . 1 . . 553 . . 58 LYS CA . 19541 1 208 . 1 1 58 58 LYS CB C 13 31.097 0.01 . 1 . . 556 . . 58 LYS CB . 19541 1 209 . 1 1 58 58 LYS N N 15 116.405 0.006 . 1 . . 66 . . 58 LYS N . 19541 1 210 . 1 1 59 59 ALA H H 1 7.770 0.007 . 1 . . 196 . . 59 ALA H . 19541 1 211 . 1 1 59 59 ALA CA C 13 53.009 0.016 . 1 . . 651 . . 59 ALA CA . 19541 1 212 . 1 1 59 59 ALA CB C 13 18.391 0.022 . 1 . . 650 . . 59 ALA CB . 19541 1 213 . 1 1 59 59 ALA N N 15 116.518 0.033 . 1 . . 198 . . 59 ALA N . 19541 1 214 . 1 1 60 60 ILE H H 1 7.361 0.003 . 1 . . 153 . . 60 ILE H . 19541 1 215 . 1 1 60 60 ILE CA C 13 58.645 . . 1 . . 658 . . 60 ILE CA . 19541 1 216 . 1 1 60 60 ILE CB C 13 37.401 . . 1 . . 653 . . 60 ILE CB . 19541 1 217 . 1 1 60 60 ILE N N 15 118.558 0.008 . 1 . . 195 . . 60 ILE N . 19541 1 218 . 1 1 61 61 PRO CA C 13 64.683 . . 1 . . 843 . . 61 PRO CA . 19541 1 219 . 1 1 61 61 PRO CB C 13 30.411 . . 1 . . 1144 . . 61 PRO CB . 19541 1 220 . 1 1 62 62 GLN H H 1 7.345 0.005 . 1 . . 340 . . 62 GLN H . 19541 1 221 . 1 1 62 62 GLN CA C 13 55.335 0.03 . 1 . . 850 . . 62 GLN CA . 19541 1 222 . 1 1 62 62 GLN CB C 13 27.618 0.022 . 1 . . 849 . . 62 GLN CB . 19541 1 223 . 1 1 62 62 GLN N N 15 111.279 0.003 . 1 . . 342 . . 62 GLN N . 19541 1 224 . 1 1 63 63 VAL H H 1 8.723 0.004 . 1 . . 49 . . 63 VAL H . 19541 1 225 . 1 1 63 63 VAL CA C 13 61.008 0.032 . 1 . . 659 . . 63 VAL CA . 19541 1 226 . 1 1 63 63 VAL CB C 13 35.282 0.006 . 1 . . 662 . . 63 VAL CB . 19541 1 227 . 1 1 63 63 VAL N N 15 118.150 0.013 . 1 . . 177 . . 63 VAL N . 19541 1 228 . 1 1 64 64 ALA H H 1 8.801 0.004 . 1 . . 170 . . 64 ALA H . 19541 1 229 . 1 1 64 64 ALA CA C 13 52.051 0.032 . 1 . . 775 . . 64 ALA CA . 19541 1 230 . 1 1 64 64 ALA CB C 13 18.697 . . 1 . . 660 . . 64 ALA CB . 19541 1 231 . 1 1 64 64 ALA N N 15 131.780 0.006 . 1 . . 172 . . 64 ALA N . 19541 1 232 . 1 1 65 65 LEU H H 1 7.833 0.005 . 1 . . 171 . . 65 LEU H . 19541 1 233 . 1 1 65 65 LEU CA C 13 52.028 0.048 . 1 . . 847 . . 65 LEU CA . 19541 1 234 . 1 1 65 65 LEU CB C 13 46.050 . . 1 . . 1140 . . 65 LEU CB . 19541 1 235 . 1 1 65 65 LEU N N 15 121.242 0.032 . 1 . . 178 . . 65 LEU N . 19541 1 236 . 1 1 66 66 ASP H H 1 8.291 0.004 . 1 . . 355 . . 66 ASP H . 19541 1 237 . 1 1 66 66 ASP CA C 13 53.144 0.014 . 1 . . 816 . . 66 ASP CA . 19541 1 238 . 1 1 66 66 ASP CB C 13 40.514 . . 1 . . 1139 . . 66 ASP CB . 19541 1 239 . 1 1 66 66 ASP N N 15 117.948 0.018 . 1 . . 356 . . 66 ASP N . 19541 1 240 . 1 1 67 67 LEU H H 1 7.206 0.004 . 1 . . 203 . . 67 LEU H . 19541 1 241 . 1 1 67 67 LEU CA C 13 52.637 0.079 . 1 . . 848 . . 67 LEU CA . 19541 1 242 . 1 1 67 67 LEU CB C 13 44.189 0.014 . 1 . . 1132 . . 67 LEU CB . 19541 1 243 . 1 1 67 67 LEU N N 15 120.898 0.026 . 1 . . 204 . . 67 LEU N . 19541 1 244 . 1 1 68 68 ASN H H 1 7.610 0.008 . 1 . . 864 . . 68 ASN H . 19541 1 245 . 1 1 68 68 ASN CA C 13 51.658 0.008 . 1 . . 860 . . 68 ASN CA . 19541 1 246 . 1 1 68 68 ASN CB C 13 43.519 0.013 . 1 . . 1142 . . 68 ASN CB . 19541 1 247 . 1 1 68 68 ASN N N 15 117.534 0.009 . 1 . . 859 . . 68 ASN N . 19541 1 248 . 1 1 69 69 PHE H H 1 7.816 0.007 . 1 . . 234 . . 69 PHE H . 19541 1 249 . 1 1 69 69 PHE CA C 13 55.518 . . 1 . . 1048 . . 69 PHE CA . 19541 1 250 . 1 1 69 69 PHE CB C 13 42.994 . . 1 . . 1143 . . 69 PHE CB . 19541 1 251 . 1 1 69 69 PHE N N 15 114.040 0.011 . 1 . . 360 . . 69 PHE N . 19541 1 252 . 1 1 70 70 SER H H 1 10.578 0.009 . 1 . . 866 . . 70 SER H . 19541 1 253 . 1 1 70 70 SER CA C 13 55.371 0.041 . 1 . . 832 . . 70 SER CA . 19541 1 254 . 1 1 70 70 SER CB C 13 66.034 0.056 . 1 . . 699 . . 70 SER CB . 19541 1 255 . 1 1 70 70 SER N N 15 118.569 0.019 . 1 . . 861 . . 70 SER N . 19541 1 256 . 1 1 71 71 LYS H H 1 8.490 0.003 . 1 . . 362 . . 71 LYS H . 19541 1 257 . 1 1 71 71 LYS CA C 13 58.251 0.001 . 1 . . 719 . . 71 LYS CA . 19541 1 258 . 1 1 71 71 LYS CB C 13 31.575 . . 1 . . 665 . . 71 LYS CB . 19541 1 259 . 1 1 71 71 LYS N N 15 116.812 0.001 . 1 . . 364 . . 71 LYS N . 19541 1 260 . 1 1 72 72 GLY H H 1 8.372 0.01 . 1 . . 368 . . 72 GLY H . 19541 1 261 . 1 1 72 72 GLY CA C 13 44.564 0.021 . 1 . . 1078 . . 72 GLY CA . 19541 1 262 . 1 1 72 72 GLY N N 15 106.083 0.047 . 1 . . 369 . . 72 GLY N . 19541 1 263 . 1 1 73 73 ASP H H 1 8.156 0.004 . 1 . . 371 . . 73 ASP H . 19541 1 264 . 1 1 73 73 ASP CA C 13 55.677 0.043 . 1 . . 1052 . . 73 ASP CA . 19541 1 265 . 1 1 73 73 ASP CB C 13 42.205 0.006 . 1 . . 1125 . . 73 ASP CB . 19541 1 266 . 1 1 73 73 ASP N N 15 121.631 0.001 . 1 . . 372 . . 73 ASP N . 19541 1 267 . 1 1 74 74 ARG H H 1 8.770 0.006 . 1 . . 222 . . 74 ARG H . 19541 1 268 . 1 1 74 74 ARG CA C 13 54.505 0.006 . 1 . . 830 . . 74 ARG CA . 19541 1 269 . 1 1 74 74 ARG CB C 13 28.812 0.015 . 1 . . 532 . . 74 ARG CB . 19541 1 270 . 1 1 74 74 ARG N N 15 125.184 0.045 . 1 . . 223 . . 74 ARG N . 19541 1 271 . 1 1 75 75 ILE H H 1 8.294 0.003 . 1 . . 78 . . 75 ILE H . 19541 1 272 . 1 1 75 75 ILE CA C 13 57.812 0.012 . 1 . . 515 . . 75 ILE CA . 19541 1 273 . 1 1 75 75 ILE CB C 13 41.088 0.005 . 1 . . 529 . . 75 ILE CB . 19541 1 274 . 1 1 75 75 ILE N N 15 117.537 0.018 . 1 . . 80 . . 75 ILE N . 19541 1 275 . 1 1 76 76 MET H H 1 7.974 0.004 . 1 . . 45 . . 76 MET H . 19541 1 276 . 1 1 76 76 MET CA C 13 53.828 0.07 . 1 . . 789 . . 76 MET CA . 19541 1 277 . 1 1 76 76 MET CB C 13 36.197 0.023 . 1 . . 668 . . 76 MET CB . 19541 1 278 . 1 1 76 76 MET N N 15 120.607 0.003 . 1 . . 47 . . 76 MET N . 19541 1 279 . 1 1 77 77 PHE H H 1 8.151 0.004 . 1 . . 375 . . 77 PHE H . 19541 1 280 . 1 1 77 77 PHE CA C 13 55.471 0.034 . 1 . . 717 . . 77 PHE CA . 19541 1 281 . 1 1 77 77 PHE CB C 13 43.331 . . 1 . . 715 . . 77 PHE CB . 19541 1 282 . 1 1 77 77 PHE N N 15 120.090 0.005 . 1 . . 376 . . 77 PHE N . 19541 1 283 . 1 1 78 78 TYR H H 1 8.540 0.003 . 1 . . 218 . . 78 TYR H . 19541 1 284 . 1 1 78 78 TYR CA C 13 56.822 0.027 . 1 . . 828 . . 78 TYR CA . 19541 1 285 . 1 1 78 78 TYR CB C 13 39.843 0.019 . 1 . . 1141 . . 78 TYR CB . 19541 1 286 . 1 1 78 78 TYR N N 15 115.990 0.004 . 1 . . 219 . . 78 TYR N . 19541 1 287 . 1 1 79 79 THR H H 1 10.256 0.006 . 1 . . 207 . . 79 THR H . 19541 1 288 . 1 1 79 79 THR CA C 13 58.068 0.024 . 1 . . 776 . . 79 THR CA . 19541 1 289 . 1 1 79 79 THR CB C 13 71.517 0.002 . 1 . . 671 . . 79 THR CB . 19541 1 290 . 1 1 79 79 THR N N 15 110.868 0.0 . 1 . . 209 . . 79 THR N . 19541 1 291 . 1 1 80 80 ALA H H 1 9.183 0.004 . 1 . . 82 . . 80 ALA H . 19541 1 292 . 1 1 80 80 ALA CA C 13 50.564 0.005 . 1 . . 674 . . 80 ALA CA . 19541 1 293 . 1 1 80 80 ALA CB C 13 22.294 0.005 . 1 . . 675 . . 80 ALA CB . 19541 1 294 . 1 1 80 80 ALA N N 15 121.841 0.015 . 1 . . 84 . . 80 ALA N . 19541 1 295 . 1 1 81 81 GLY H H 1 8.943 0.008 . 1 . . 86 . . 81 GLY H . 19541 1 296 . 1 1 81 81 GLY CA C 13 43.635 0.003 . 1 . . 791 . . 81 GLY CA . 19541 1 297 . 1 1 81 81 GLY N N 15 111.693 0.013 . 1 . . 88 . . 81 GLY N . 19541 1 298 . 1 1 82 82 ASP H H 1 8.632 0.011 . 1 . . 62 . . 82 ASP H . 19541 1 299 . 1 1 82 82 ASP CA C 13 53.266 0.006 . 1 . . 1123 . . 82 ASP CA . 19541 1 300 . 1 1 82 82 ASP CB C 13 42.028 0.046 . 1 . . 676 . . 82 ASP CB . 19541 1 301 . 1 1 82 82 ASP N N 15 115.167 0.013 . 1 . . 392 . . 82 ASP N . 19541 1 302 . 1 1 83 83 ALA H H 1 7.804 0.005 . 1 . . 56 . . 83 ALA H . 19541 1 303 . 1 1 83 83 ALA CA C 13 51.902 0.009 . 1 . . 822 . . 83 ALA CA . 19541 1 304 . 1 1 83 83 ALA CB C 13 20.087 0.017 . 1 . . 564 . . 83 ALA CB . 19541 1 305 . 1 1 83 83 ALA N N 15 122.553 0.001 . 1 . . 63 . . 83 ALA N . 19541 1 306 . 1 1 84 84 SER H H 1 8.715 0.006 . 1 . . 31 . . 84 SER H . 19541 1 307 . 1 1 84 84 SER CA C 13 57.263 0.002 . 1 . . 821 . . 84 SER CA . 19541 1 308 . 1 1 84 84 SER CB C 13 63.827 0.003 . 1 . . 575 . . 84 SER CB . 19541 1 309 . 1 1 84 84 SER N N 15 115.678 0.017 . 1 . . 55 . . 84 SER N . 19541 1 310 . 1 1 85 85 VAL H H 1 7.841 0.003 . 1 . . 18 . . 85 VAL H . 19541 1 311 . 1 1 85 85 VAL CA C 13 57.897 0.006 . 1 . . 581 . . 85 VAL CA . 19541 1 312 . 1 1 85 85 VAL CB C 13 35.273 . . 1 . . 584 . . 85 VAL CB . 19541 1 313 . 1 1 85 85 VAL N N 15 111.578 0.016 . 1 . . 26 . . 85 VAL N . 19541 1 314 . 1 1 86 86 SER H H 1 9.001 0.013 . 1 . . 27 . . 86 SER H . 19541 1 315 . 1 1 86 86 SER CA C 13 57.646 0.045 . 1 . . 517 . . 86 SER CA . 19541 1 316 . 1 1 86 86 SER CB C 13 64.810 0.075 . 1 . . 1124 . . 86 SER CB . 19541 1 317 . 1 1 86 86 SER N N 15 115.681 0.007 . 1 . . 28 . . 86 SER N . 19541 1 318 . 1 1 87 87 LEU H H 1 9.405 0.005 . 1 . . 23 . . 87 LEU H . 19541 1 319 . 1 1 87 87 LEU CA C 13 53.329 . . 1 . . 617 . . 87 LEU CA . 19541 1 320 . 1 1 87 87 LEU CB C 13 43.789 . . 1 . . 606 . . 87 LEU CB . 19541 1 321 . 1 1 87 87 LEU N N 15 127.473 0.001 . 1 . . 24 . . 87 LEU N . 19541 1 322 . 1 1 88 88 LEU CA C 13 52.890 0.071 . 1 . . 618 . . 88 LEU CA . 19541 1 323 . 1 1 89 89 GLY H H 1 8.538 0.011 . 1 . . 2 . . 89 GLY H . 19541 1 324 . 1 1 89 89 GLY CA C 13 45.585 0.056 . 1 . . 1068 . . 89 GLY CA . 19541 1 325 . 1 1 89 89 GLY N N 15 107.473 0.009 . 1 . . 313 . . 89 GLY N . 19541 1 326 . 1 1 90 90 TYR H H 1 8.605 0.004 . 1 . . 466 . . 90 TYR H . 19541 1 327 . 1 1 90 90 TYR CA C 13 54.312 0.012 . 1 . . 819 . . 90 TYR CA . 19541 1 328 . 1 1 90 90 TYR CB C 13 38.381 0.016 . 1 . . 1136 . . 90 TYR CB . 19541 1 329 . 1 1 90 90 TYR N N 15 118.659 0.004 . 1 . . 467 . . 90 TYR N . 19541 1 330 . 1 1 91 91 LEU H H 1 9.331 0.003 . 1 . . 293 . . 91 LEU H . 19541 1 331 . 1 1 91 91 LEU CA C 13 54.370 0.016 . 1 . . 1071 . . 91 LEU CA . 19541 1 332 . 1 1 91 91 LEU CB C 13 41.917 0.016 . 1 . . 1135 . . 91 LEU CB . 19541 1 333 . 1 1 91 91 LEU N N 15 119.075 0.017 . 1 . . 294 . . 91 LEU N . 19541 1 334 . 1 1 92 92 HIS H H 1 7.904 0.012 . 1 . . 287 . . 92 HIS H . 19541 1 335 . 1 1 92 92 HIS CA C 13 55.403 0.063 . 1 . . 600 . . 92 HIS CA . 19541 1 336 . 1 1 92 92 HIS CB C 13 30.354 0.026 . 1 . . 601 . . 92 HIS CB . 19541 1 337 . 1 1 92 92 HIS N N 15 117.019 0.005 . 1 . . 288 . . 92 HIS N . 19541 1 338 . 1 1 93 93 ASP H H 1 8.422 0.005 . 1 . . 282 . . 93 ASP H . 19541 1 339 . 1 1 93 93 ASP CA C 13 53.628 0.07 . 1 . . 599 . . 93 ASP CA . 19541 1 340 . 1 1 93 93 ASP CB C 13 40.727 0.014 . 1 . . 590 . . 93 ASP CB . 19541 1 341 . 1 1 93 93 ASP N N 15 120.600 0.012 . 1 . . 283 . . 93 ASP N . 19541 1 342 . 1 1 94 94 ILE H H 1 8.101 0.007 . 1 . . 148 . . 94 ILE H . 19541 1 343 . 1 1 94 94 ILE CA C 13 60.472 0.004 . 1 . . 524 . . 94 ILE CA . 19541 1 344 . 1 1 94 94 ILE CB C 13 37.945 0.001 . 1 . . 597 . . 94 ILE CB . 19541 1 345 . 1 1 94 94 ILE N N 15 119.277 0.01 . 1 . . 165 . . 94 ILE N . 19541 1 346 . 1 1 95 95 ASP H H 1 8.368 0.002 . 1 . . 147 . . 95 ASP H . 19541 1 347 . 1 1 95 95 ASP CA C 13 53.941 0.013 . 1 . . 589 . . 95 ASP CA . 19541 1 348 . 1 1 95 95 ASP CB C 13 40.588 0.006 . 1 . . 591 . . 95 ASP CB . 19541 1 349 . 1 1 95 95 ASP N N 15 122.970 0.018 . 1 . . 149 . . 95 ASP N . 19541 1 350 . 1 1 96 96 SER H H 1 8.172 0.248 . 1 . . 270 . . 96 SER H . 19541 1 351 . 1 1 96 96 SER CA C 13 58.255 0.004 . 1 . . 592 . . 96 SER CA . 19541 1 352 . 1 1 96 96 SER CB C 13 63.126 0.008 . 1 . . 593 . . 96 SER CB . 19541 1 353 . 1 1 96 96 SER N N 15 115.637 1.22 . 1 . . 273 . . 96 SER N . 19541 1 354 . 1 1 97 97 GLY H H 1 8.428 0.01 . 1 . . 265 . . 97 GLY H . 19541 1 355 . 1 1 97 97 GLY CA C 13 44.969 0.011 . 1 . . 596 . . 97 GLY CA . 19541 1 356 . 1 1 97 97 GLY N N 15 110.664 0.003 . 1 . . 271 . . 97 GLY N . 19541 1 357 . 1 1 98 98 SER H H 1 7.860 0.017 . 1 . . 264 . . 98 SER H . 19541 1 358 . 1 1 98 98 SER CA C 13 59.284 0.076 . 1 . . 594 . . 98 SER CA . 19541 1 359 . 1 1 98 98 SER CB C 13 64.130 . . 1 . . 595 . . 98 SER CB . 19541 1 360 . 1 1 98 98 SER N N 15 122.173 2.069 . 1 . . 266 . . 98 SER N . 19541 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Entry_ID 19541 _Assigned_chem_shift_list.ID 2 _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 3 '3D 1H-15N NOESY' 1 $sample_1 isotropic 19541 2 4 '3D 1H-13C NOESY' 1 $sample_1 isotropic 19541 2 5 '2D 1H-1H NOESY' 1 $sample_1 isotropic 19541 2 6 '3D 1H-13C NOESY' 1 $sample_1 isotropic 19541 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 MET H H 1 8.232 . . 1 . . 876 . . 5 MET H . 19541 2 2 . 1 1 5 5 MET HA H 1 4.399 . . 1 . . 238 . . 5 MET HA . 19541 2 3 . 1 1 5 5 MET N N 15 110.338 . . 1 . . 450 . . 5 MET N . 19541 2 4 . 1 1 6 6 ALA H H 1 8.349 0.057 . 1 . . 237 . . 6 ALA H . 19541 2 5 . 1 1 6 6 ALA HB1 H 1 1.330 . . 1 . . 453 . . 6 ALA HB1 . 19541 2 6 . 1 1 6 6 ALA HB2 H 1 1.330 . . 1 . . 453 . . 6 ALA HB2 . 19541 2 7 . 1 1 6 6 ALA HB3 H 1 1.330 . . 1 . . 453 . . 6 ALA HB3 . 19541 2 8 . 1 1 6 6 ALA N N 15 125.812 2.271 . 1 . . 239 . . 6 ALA N . 19541 2 9 . 1 1 7 7 MET H H 1 10.612 0.007 . 1 . . 739 . . 7 MET H . 19541 2 10 . 1 1 7 7 MET N N 15 122.163 . . 1 . . 858 . . 7 MET N . 19541 2 11 . 1 1 8 8 PHE H H 1 9.623 0.01 . 1 . . 454 . . 8 PHE H . 19541 2 12 . 1 1 8 8 PHE HA H 1 4.084 0.001 . 1 . . 406 . . 8 PHE HA . 19541 2 13 . 1 1 8 8 PHE HB2 H 1 3.298 0.002 . 2 . . 405 . . 8 PHE HB2 . 19541 2 14 . 1 1 8 8 PHE HB3 H 1 2.915 0.0 . 2 . . 404 . . 8 PHE HB3 . 19541 2 15 . 1 1 8 8 PHE HD1 H 1 7.108 0.004 . 3 . . 4 . . 8 PHE HD1 . 19541 2 16 . 1 1 8 8 PHE HD2 H 1 7.108 0.004 . 3 . . 4 . . 8 PHE HD2 . 19541 2 17 . 1 1 8 8 PHE HE1 H 1 6.702 0.003 . 3 . . 728 . . 8 PHE HE1 . 19541 2 18 . 1 1 8 8 PHE HE2 H 1 6.702 0.003 . 3 . . 728 . . 8 PHE HE2 . 19541 2 19 . 1 1 8 8 PHE HZ H 1 5.844 0.003 . 1 . . 624 . . 8 PHE HZ . 19541 2 20 . 1 1 8 8 PHE N N 15 122.601 . . 1 . . 455 . . 8 PHE N . 19541 2 21 . 1 1 9 9 TRP H H 1 6.614 0.005 . 1 . . 1 . . 9 TRP H . 19541 2 22 . 1 1 9 9 TRP HA H 1 3.852 . . 1 . . 311 . . 9 TRP HA . 19541 2 23 . 1 1 9 9 TRP HB2 H 1 2.621 . . 2 . . 402 . . 9 TRP HB2 . 19541 2 24 . 1 1 9 9 TRP HB3 H 1 2.510 . . 2 . . 403 . . 9 TRP HB3 . 19541 2 25 . 1 1 9 9 TRP HD1 H 1 6.708 0.01 . 1 . . 309 . . 9 TRP HD1 . 19541 2 26 . 1 1 9 9 TRP HE1 H 1 8.959 0.004 . 1 . . 1147 . . 9 TRP HE1 . 19541 2 27 . 1 1 9 9 TRP HE3 H 1 6.734 0.007 . 1 . . 310 . . 9 TRP HE3 . 19541 2 28 . 1 1 9 9 TRP HZ2 H 1 6.904 0.003 . 1 . . 312 . . 9 TRP HZ2 . 19541 2 29 . 1 1 9 9 TRP HZ3 H 1 6.301 0.005 . 1 . . 447 . . 9 TRP HZ3 . 19541 2 30 . 1 1 9 9 TRP HH2 H 1 6.505 0.007 . 1 . . 471 . . 9 TRP HH2 . 19541 2 31 . 1 1 9 9 TRP N N 15 129.608 0.0 . 1 . . 3 . . 9 TRP N . 19541 2 32 . 1 1 9 9 TRP NE1 N 15 127.175 0.035 . 1 . . 1148 . . 9 TRP NE1 . 19541 2 33 . 1 1 10 10 GLY H H 1 6.477 0.006 . 1 . . 17 . . 10 GLY H . 19541 2 34 . 1 1 10 10 GLY HA2 H 1 4.021 0.008 . 1 . . 306 . . 10 GLY HA2 . 19541 2 35 . 1 1 10 10 GLY HA3 H 1 4.021 0.008 . 1 . . 475 . . 10 GLY HA3 . 19541 2 36 . 1 1 10 10 GLY N N 15 109.886 0.034 . 1 . . 308 . . 10 GLY N . 19541 2 37 . 1 1 11 11 LEU H H 1 8.569 0.003 . 1 . . 16 . . 11 LEU H . 19541 2 38 . 1 1 11 11 LEU HA H 1 4.296 0.002 . 1 . . 301 . . 11 LEU HA . 19541 2 39 . 1 1 11 11 LEU HD11 H 1 0.795 0.011 . 2 . . 302 . . 11 LEU HD11 . 19541 2 40 . 1 1 11 11 LEU HD12 H 1 0.795 0.011 . 2 . . 302 . . 11 LEU HD12 . 19541 2 41 . 1 1 11 11 LEU HD13 H 1 0.795 0.011 . 2 . . 302 . . 11 LEU HD13 . 19541 2 42 . 1 1 11 11 LEU HD21 H 1 0.667 0.004 . 2 . . 303 . . 11 LEU HD21 . 19541 2 43 . 1 1 11 11 LEU HD22 H 1 0.667 0.004 . 2 . . 303 . . 11 LEU HD22 . 19541 2 44 . 1 1 11 11 LEU HD23 H 1 0.667 0.004 . 2 . . 303 . . 11 LEU HD23 . 19541 2 45 . 1 1 11 11 LEU CD1 C 13 22.792 0.019 . 2 . . 609 . . 11 LEU CD1 . 19541 2 46 . 1 1 11 11 LEU CD2 C 13 25.554 0.004 . 2 . . 611 . . 11 LEU CD2 . 19541 2 47 . 1 1 11 11 LEU N N 15 121.068 0.0 . 1 . . 307 . . 11 LEU N . 19541 2 48 . 1 1 12 12 ASN H H 1 8.760 0.003 . 1 . . 10 . . 12 ASN H . 19541 2 49 . 1 1 12 12 ASN HA H 1 5.570 0.003 . 1 . . 14 . . 12 ASN HA . 19541 2 50 . 1 1 12 12 ASN HB3 H 1 2.550 . . 1 . . 6 . . 12 ASN HB3 . 19541 2 51 . 1 1 12 12 ASN HD21 H 1 7.218 0.002 . 1 . . 5 . . 12 ASN HD21 . 19541 2 52 . 1 1 12 12 ASN HD22 H 1 6.303 0.005 . 1 . . 9 . . 12 ASN HD22 . 19541 2 53 . 1 1 12 12 ASN N N 15 126.761 0.0 . 1 . . 11 . . 12 ASN N . 19541 2 54 . 1 1 12 12 ASN ND2 N 15 113.404 0.0 . 1 . . 7 . . 12 ASN ND2 . 19541 2 55 . 1 1 13 13 MET H H 1 8.897 0.005 . 1 . . 12 . . 13 MET H . 19541 2 56 . 1 1 13 13 MET HA H 1 4.458 0.002 . 1 . . 22 . . 13 MET HA . 19541 2 57 . 1 1 13 13 MET HE1 H 1 2.038 0.001 . 1 . . 398 . . 13 MET HE1 . 19541 2 58 . 1 1 13 13 MET HE2 H 1 2.038 0.001 . 1 . . 398 . . 13 MET HE2 . 19541 2 59 . 1 1 13 13 MET HE3 H 1 2.038 0.001 . 1 . . 398 . . 13 MET HE3 . 19541 2 60 . 1 1 13 13 MET N N 15 120.189 0.008 . 1 . . 13 . . 13 MET N . 19541 2 61 . 1 1 14 14 LYS H H 1 8.746 0.002 . 1 . . 20 . . 14 LYS H . 19541 2 62 . 1 1 14 14 LYS N N 15 125.447 . . 1 . . 21 . . 14 LYS N . 19541 2 63 . 1 1 15 15 PRO HA H 1 4.707 . . 1 . . 798 . . 15 PRO HA . 19541 2 64 . 1 1 16 16 GLU H H 1 8.338 0.007 . 1 . . 407 . . 16 GLU H . 19541 2 65 . 1 1 16 16 GLU HA H 1 4.233 . . 1 . . 409 . . 16 GLU HA . 19541 2 66 . 1 1 16 16 GLU N N 15 114.718 0.0 . 1 . . 408 . . 16 GLU N . 19541 2 67 . 1 1 17 17 ARG H H 1 7.829 0.006 . 1 . . 205 . . 17 ARG H . 19541 2 68 . 1 1 17 17 ARG HA H 1 4.294 . . 1 . . 441 . . 17 ARG HA . 19541 2 69 . 1 1 17 17 ARG N N 15 120.849 0.002 . 1 . . 206 . . 17 ARG N . 19541 2 70 . 1 1 18 18 LYS H H 1 8.470 0.002 . 1 . . 210 . . 18 LYS H . 19541 2 71 . 1 1 18 18 LYS HA H 1 4.669 0.007 . 1 . . 413 . . 18 LYS HA . 19541 2 72 . 1 1 18 18 LYS N N 15 121.068 0.001 . 1 . . 211 . . 18 LYS N . 19541 2 73 . 1 1 19 19 TYR H H 1 9.258 0.005 . 1 . . 411 . . 19 TYR H . 19541 2 74 . 1 1 19 19 TYR HB2 H 1 2.964 0.001 . 2 . . 835 . . 19 TYR HB2 . 19541 2 75 . 1 1 19 19 TYR HB3 H 1 3.232 0.004 . 2 . . 854 . . 19 TYR HB3 . 19541 2 76 . 1 1 19 19 TYR HD1 H 1 7.418 0.004 . 3 . . 143 . . 19 TYR HD1 . 19541 2 77 . 1 1 19 19 TYR HD2 H 1 7.418 0.004 . 3 . . 143 . . 19 TYR HD2 . 19541 2 78 . 1 1 19 19 TYR HE1 H 1 7.132 0.006 . 3 . . 19 . . 19 TYR HE1 . 19541 2 79 . 1 1 19 19 TYR HE2 H 1 7.132 0.006 . 3 . . 19 . . 19 TYR HE2 . 19541 2 80 . 1 1 19 19 TYR N N 15 123.258 0.0 . 1 . . 412 . . 19 TYR N . 19541 2 81 . 1 1 20 20 SER H H 1 8.962 0.007 . 1 . . 142 . . 20 SER H . 19541 2 82 . 1 1 20 20 SER HA H 1 4.637 . . 1 . . 377 . . 20 SER HA . 19541 2 83 . 1 1 20 20 SER N N 15 122.601 0.0 . 1 . . 144 . . 20 SER N . 19541 2 84 . 1 1 21 21 GLN H H 1 8.439 0.003 . 1 . . 146 . . 21 GLN H . 19541 2 85 . 1 1 21 21 GLN HA H 1 4.625 . . 1 . . 137 . . 21 GLN HA . 19541 2 86 . 1 1 21 21 GLN HE21 H 1 6.926 0.004 . 1 . . 462 . . 21 GLN HE21 . 19541 2 87 . 1 1 21 21 GLN HE22 H 1 6.584 0.008 . 1 . . 463 . . 21 GLN HE22 . 19541 2 88 . 1 1 21 21 GLN N N 15 122.820 . . 1 . . 150 . . 21 GLN N . 19541 2 89 . 1 1 21 21 GLN NE2 N 15 111.433 0.0 . 1 . . 464 . . 21 GLN NE2 . 19541 2 90 . 1 1 22 22 THR H H 1 8.950 0.006 . 1 . . 133 . . 22 THR H . 19541 2 91 . 1 1 22 22 THR HA H 1 4.422 . . 1 . . 138 . . 22 THR HA . 19541 2 92 . 1 1 22 22 THR HB H 1 4.096 . . 1 . . 136 . . 22 THR HB . 19541 2 93 . 1 1 22 22 THR HG21 H 1 1.158 . . 1 . . 134 . . 22 THR HG21 . 19541 2 94 . 1 1 22 22 THR HG22 H 1 1.158 . . 1 . . 134 . . 22 THR HG22 . 19541 2 95 . 1 1 22 22 THR HG23 H 1 1.158 . . 1 . . 134 . . 22 THR HG23 . 19541 2 96 . 1 1 22 22 THR N N 15 122.783 0.082 . 1 . . 135 . . 22 THR N . 19541 2 97 . 1 1 23 23 ILE H H 1 8.835 0.005 . 1 . . 139 . . 23 ILE H . 19541 2 98 . 1 1 23 23 ILE HA H 1 4.032 0.005 . 1 . . 141 . . 23 ILE HA . 19541 2 99 . 1 1 23 23 ILE HG21 H 1 0.680 0.002 . 1 . . 417 . . 23 ILE HG21 . 19541 2 100 . 1 1 23 23 ILE HG22 H 1 0.680 0.002 . 1 . . 417 . . 23 ILE HG22 . 19541 2 101 . 1 1 23 23 ILE HG23 H 1 0.680 0.002 . 1 . . 417 . . 23 ILE HG23 . 19541 2 102 . 1 1 23 23 ILE HD11 H 1 0.885 0.01 . 1 . . 260 . . 23 ILE HD11 . 19541 2 103 . 1 1 23 23 ILE HD12 H 1 0.885 0.01 . 1 . . 260 . . 23 ILE HD12 . 19541 2 104 . 1 1 23 23 ILE HD13 H 1 0.885 0.01 . 1 . . 260 . . 23 ILE HD13 . 19541 2 105 . 1 1 23 23 ILE CD1 C 13 13.593 0.004 . 1 . . 691 . . 23 ILE CD1 . 19541 2 106 . 1 1 23 23 ILE N N 15 128.075 0.0 . 1 . . 140 . . 23 ILE N . 19541 2 107 . 1 1 24 24 ILE H H 1 8.442 0.006 . 1 . . 183 . . 24 ILE H . 19541 2 108 . 1 1 24 24 ILE HA H 1 4.287 . . 1 . . 184 . . 24 ILE HA . 19541 2 109 . 1 1 24 24 ILE HD11 H 1 0.877 0.003 . 1 . . 259 . . 24 ILE HD11 . 19541 2 110 . 1 1 24 24 ILE HD12 H 1 0.877 0.003 . 1 . . 259 . . 24 ILE HD12 . 19541 2 111 . 1 1 24 24 ILE HD13 H 1 0.877 0.003 . 1 . . 259 . . 24 ILE HD13 . 19541 2 112 . 1 1 24 24 ILE CD1 C 13 12.405 0.004 . 1 . . 576 . . 24 ILE CD1 . 19541 2 113 . 1 1 24 24 ILE N N 15 125.447 0.0 . 1 . . 185 . . 24 ILE N . 19541 2 114 . 1 1 25 25 LYS H H 1 7.749 0.004 . 1 . . 235 . . 25 LYS H . 19541 2 115 . 1 1 25 25 LYS HA H 1 4.612 . . 1 . . 419 . . 25 LYS HA . 19541 2 116 . 1 1 25 25 LYS N N 15 119.973 0.0 . 1 . . 236 . . 25 LYS N . 19541 2 117 . 1 1 26 26 SER H H 1 8.685 0.004 . 1 . . 232 . . 26 SER H . 19541 2 118 . 1 1 26 26 SER HA H 1 4.615 . . 1 . . 425 . . 26 SER HA . 19541 2 119 . 1 1 26 26 SER HB2 H 1 4.026 . . 1 . . 426 . . 26 SER HB2 . 19541 2 120 . 1 1 26 26 SER HB3 H 1 4.026 . . 1 . . 484 . . 26 SER HB3 . 19541 2 121 . 1 1 26 26 SER N N 15 117.564 0.0 . 1 . . 424 . . 26 SER N . 19541 2 122 . 1 1 27 27 PHE H H 1 8.471 0.007 . 1 . . 231 . . 27 PHE H . 19541 2 123 . 1 1 27 27 PHE HB2 H 1 2.250 0.008 . 2 . . 449 . . 27 PHE HB2 . 19541 2 124 . 1 1 27 27 PHE HB3 H 1 2.782 0.008 . 2 . . 448 . . 27 PHE HB3 . 19541 2 125 . 1 1 27 27 PHE HD1 H 1 6.318 0.007 . 3 . . 318 . . 27 PHE HD1 . 19541 2 126 . 1 1 27 27 PHE HD2 H 1 6.318 0.007 . 3 . . 318 . . 27 PHE HD2 . 19541 2 127 . 1 1 27 27 PHE HE1 H 1 6.173 0.003 . 3 . . 451 . . 27 PHE HE1 . 19541 2 128 . 1 1 27 27 PHE HE2 H 1 6.173 0.003 . 3 . . 451 . . 27 PHE HE2 . 19541 2 129 . 1 1 27 27 PHE HZ H 1 6.385 0.012 . 1 . . 452 . . 27 PHE HZ . 19541 2 130 . 1 1 27 27 PHE N N 15 118.878 0.0 . 1 . . 233 . . 27 PHE N . 19541 2 131 . 1 1 28 28 HIS H H 1 8.777 0.003 . 1 . . 317 . . 28 HIS H . 19541 2 132 . 1 1 28 28 HIS HA H 1 5.046 . . 1 . . 862 . . 28 HIS HA . 19541 2 133 . 1 1 28 28 HIS N N 15 118.659 0.0 . 1 . . 319 . . 28 HIS N . 19541 2 134 . 1 1 29 29 ILE H H 1 8.208 0.003 . 1 . . 428 . . 29 ILE H . 19541 2 135 . 1 1 29 29 ILE HA H 1 4.050 0.006 . 1 . . 430 . . 29 ILE HA . 19541 2 136 . 1 1 29 29 ILE HB H 1 1.345 . . 1 . . 813 . . 29 ILE HB . 19541 2 137 . 1 1 29 29 ILE HG12 H 1 1.057 . . 2 . . 787 . . 29 ILE HG12 . 19541 2 138 . 1 1 29 29 ILE HG13 H 1 0.677 0.003 . 2 . . 857 . . 29 ILE HG13 . 19541 2 139 . 1 1 29 29 ILE HG21 H 1 0.803 . . 1 . . 431 . . 29 ILE HG21 . 19541 2 140 . 1 1 29 29 ILE HG22 H 1 0.803 . . 1 . . 431 . . 29 ILE HG22 . 19541 2 141 . 1 1 29 29 ILE HG23 H 1 0.803 . . 1 . . 431 . . 29 ILE HG23 . 19541 2 142 . 1 1 29 29 ILE HD11 H 1 0.479 0.007 . 1 . . 432 . . 29 ILE HD11 . 19541 2 143 . 1 1 29 29 ILE HD12 H 1 0.479 0.007 . 1 . . 432 . . 29 ILE HD12 . 19541 2 144 . 1 1 29 29 ILE HD13 H 1 0.479 0.007 . 1 . . 432 . . 29 ILE HD13 . 19541 2 145 . 1 1 29 29 ILE CD1 C 13 14.339 0.006 . 1 . . 695 . . 29 ILE CD1 . 19541 2 146 . 1 1 29 29 ILE N N 15 124.134 0.0 . 1 . . 429 . . 29 ILE N . 19541 2 147 . 1 1 30 30 SER H H 1 9.628 0.002 . 1 . . 43 . . 30 SER H . 19541 2 148 . 1 1 30 30 SER HG H 1 5.397 0.001 . 1 . . 1109 . . 30 SER HG . 19541 2 149 . 1 1 30 30 SER N N 15 118.659 0.0 . 1 . . 44 . . 30 SER N . 19541 2 150 . 1 1 31 31 GLY H H 1 8.022 0.003 . 1 . . 41 . . 31 GLY H . 19541 2 151 . 1 1 31 31 GLY HA2 H 1 4.666 . . 2 . . 457 . . 31 GLY HA2 . 19541 2 152 . 1 1 31 31 GLY HA3 H 1 4.178 . . 2 . . 114 . . 31 GLY HA3 . 19541 2 153 . 1 1 31 31 GLY N N 15 111.207 0.013 . 1 . . 435 . . 31 GLY N . 19541 2 154 . 1 1 32 32 VAL H H 1 8.256 0.008 . 1 . . 40 . . 32 VAL H . 19541 2 155 . 1 1 32 32 VAL HA H 1 5.467 0.006 . 1 . . 39 . . 32 VAL HA . 19541 2 156 . 1 1 32 32 VAL HG11 H 1 0.750 0.005 . 2 . . 117 . . 32 VAL HG11 . 19541 2 157 . 1 1 32 32 VAL HG12 H 1 0.750 0.005 . 2 . . 117 . . 32 VAL HG12 . 19541 2 158 . 1 1 32 32 VAL HG13 H 1 0.750 0.005 . 2 . . 117 . . 32 VAL HG13 . 19541 2 159 . 1 1 32 32 VAL HG21 H 1 0.709 0.012 . 2 . . 116 . . 32 VAL HG21 . 19541 2 160 . 1 1 32 32 VAL HG22 H 1 0.709 0.012 . 2 . . 116 . . 32 VAL HG22 . 19541 2 161 . 1 1 32 32 VAL HG23 H 1 0.709 0.012 . 2 . . 116 . . 32 VAL HG23 . 19541 2 162 . 1 1 32 32 VAL CG1 C 13 21.731 . . 2 . . 607 . . 32 VAL CG1 . 19541 2 163 . 1 1 32 32 VAL CG2 C 13 19.228 0.003 . 2 . . 696 . . 32 VAL CG2 . 19541 2 164 . 1 1 32 32 VAL N N 15 117.345 . . 1 . . 42 . . 32 VAL N . 19541 2 165 . 1 1 33 33 ALA H H 1 8.437 0.005 . 1 . . 30 . . 33 ALA H . 19541 2 166 . 1 1 33 33 ALA HA H 1 5.204 0.004 . 1 . . 91 . . 33 ALA HA . 19541 2 167 . 1 1 33 33 ALA HB1 H 1 1.364 . . 1 . . 92 . . 33 ALA HB1 . 19541 2 168 . 1 1 33 33 ALA HB2 H 1 1.364 . . 1 . . 92 . . 33 ALA HB2 . 19541 2 169 . 1 1 33 33 ALA HB3 H 1 1.364 . . 1 . . 92 . . 33 ALA HB3 . 19541 2 170 . 1 1 33 33 ALA N N 15 127.856 . . 1 . . 38 . . 33 ALA N . 19541 2 171 . 1 1 34 34 LEU H H 1 8.951 0.007 . 1 . . 37 . . 34 LEU H . 19541 2 172 . 1 1 34 34 LEU HA H 1 4.377 0.007 . 1 . . 103 . . 34 LEU HA . 19541 2 173 . 1 1 34 34 LEU HB2 H 1 1.619 . . 2 . . 106 . . 34 LEU HB2 . 19541 2 174 . 1 1 34 34 LEU HB3 H 1 1.330 . . 2 . . 89 . . 34 LEU HB3 . 19541 2 175 . 1 1 34 34 LEU HD11 H 1 0.429 0.01 . 2 . . 109 . . 34 LEU HD11 . 19541 2 176 . 1 1 34 34 LEU HD12 H 1 0.429 0.01 . 2 . . 109 . . 34 LEU HD12 . 19541 2 177 . 1 1 34 34 LEU HD13 H 1 0.429 0.01 . 2 . . 109 . . 34 LEU HD13 . 19541 2 178 . 1 1 34 34 LEU HD21 H 1 0.350 0.012 . 2 . . 397 . . 34 LEU HD21 . 19541 2 179 . 1 1 34 34 LEU HD22 H 1 0.350 0.012 . 2 . . 397 . . 34 LEU HD22 . 19541 2 180 . 1 1 34 34 LEU HD23 H 1 0.350 0.012 . 2 . . 397 . . 34 LEU HD23 . 19541 2 181 . 1 1 34 34 LEU CD1 C 13 25.555 0.004 . 2 . . 552 . . 34 LEU CD1 . 19541 2 182 . 1 1 34 34 LEU CD2 C 13 25.380 0.02 . 2 . . 742 . . 34 LEU CD2 . 19541 2 183 . 1 1 34 34 LEU N N 15 120.192 0.0 . 1 . . 90 . . 34 LEU N . 19541 2 184 . 1 1 35 35 ASP H H 1 8.961 0.009 . 1 . . 50 . . 35 ASP H . 19541 2 185 . 1 1 35 35 ASP N N 15 124.791 0.0 . 1 . . 51 . . 35 ASP N . 19541 2 186 . 1 1 36 36 LYS H H 1 7.448 0.011 . 1 . . 52 . . 36 LYS H . 19541 2 187 . 1 1 36 36 LYS HA H 1 4.626 . . 1 . . 257 . . 36 LYS HA . 19541 2 188 . 1 1 36 36 LYS N N 15 115.813 . . 1 . . 53 . . 36 LYS N . 19541 2 189 . 1 1 37 37 GLY H H 1 8.133 0.01 . 1 . . 54 . . 37 GLY H . 19541 2 190 . 1 1 37 37 GLY HA2 H 1 3.720 0.0 . 2 . . 251 . . 37 GLY HA2 . 19541 2 191 . 1 1 37 37 GLY HA3 H 1 4.306 0.002 . 2 . . 100 . . 37 GLY HA3 . 19541 2 192 . 1 1 37 37 GLY N N 15 108.368 0.0 . 1 . . 58 . . 37 GLY N . 19541 2 193 . 1 1 38 38 GLN H H 1 10.370 0.003 . 1 . . 60 . . 38 GLN H . 19541 2 194 . 1 1 38 38 GLN HA H 1 4.419 . . 1 . . 244 . . 38 GLN HA . 19541 2 195 . 1 1 38 38 GLN HE21 H 1 7.657 0.001 . 1 . . 248 . . 38 GLN HE21 . 19541 2 196 . 1 1 38 38 GLN N N 15 117.783 0.0 . 1 . . 61 . . 38 GLN N . 19541 2 197 . 1 1 38 38 GLN NE2 N 15 111.871 . . 1 . . 247 . . 38 GLN NE2 . 19541 2 198 . 1 1 39 39 GLU H H 1 9.097 0.003 . 1 . . 57 . . 39 GLU H . 19541 2 199 . 1 1 39 39 GLU HA H 1 5.069 0.004 . 1 . . 459 . . 39 GLU HA . 19541 2 200 . 1 1 39 39 GLU N N 15 119.448 0.107 . 1 . . 59 . . 39 GLU N . 19541 2 201 . 1 1 40 40 ALA H H 1 9.063 0.015 . 1 . . 65 . . 40 ALA H . 19541 2 202 . 1 1 40 40 ALA HA H 1 5.032 . . 1 . . 94 . . 40 ALA HA . 19541 2 203 . 1 1 40 40 ALA N N 15 125.300 0.0 . 1 . . 67 . . 40 ALA N . 19541 2 204 . 1 1 41 41 LYS H H 1 8.903 0.008 . 1 . . 93 . . 41 LYS H . 19541 2 205 . 1 1 41 41 LYS HA H 1 4.969 . . 1 . . 870 . . 41 LYS HA . 19541 2 206 . 1 1 41 41 LYS N N 15 120.657 0.054 . 1 . . 95 . . 41 LYS N . 19541 2 207 . 1 1 42 42 LEU H H 1 9.169 0.006 . 1 . . 261 . . 42 LEU H . 19541 2 208 . 1 1 42 42 LEU HA H 1 4.540 . . 1 . . 401 . . 42 LEU HA . 19541 2 209 . 1 1 42 42 LEU HD11 H 1 0.823 0.009 . 2 . . 386 . . 42 LEU HD11 . 19541 2 210 . 1 1 42 42 LEU HD12 H 1 0.823 0.009 . 2 . . 386 . . 42 LEU HD12 . 19541 2 211 . 1 1 42 42 LEU HD13 H 1 0.823 0.009 . 2 . . 386 . . 42 LEU HD13 . 19541 2 212 . 1 1 42 42 LEU HD21 H 1 0.544 0.011 . 2 . . 460 . . 42 LEU HD21 . 19541 2 213 . 1 1 42 42 LEU HD22 H 1 0.544 0.011 . 2 . . 460 . . 42 LEU HD22 . 19541 2 214 . 1 1 42 42 LEU HD23 H 1 0.544 0.011 . 2 . . 460 . . 42 LEU HD23 . 19541 2 215 . 1 1 42 42 LEU CD1 C 13 23.822 0.073 . 2 . . 718 . . 42 LEU CD1 . 19541 2 216 . 1 1 42 42 LEU CD2 C 13 26.995 0.012 . 2 . . 756 . . 42 LEU CD2 . 19541 2 217 . 1 1 42 42 LEU N N 15 123.696 0.0 . 1 . . 262 . . 42 LEU N . 19541 2 218 . 1 1 43 43 TYR H H 1 9.313 0.003 . 1 . . 381 . . 43 TYR H . 19541 2 219 . 1 1 43 43 TYR HA H 1 5.077 0.005 . 1 . . 400 . . 43 TYR HA . 19541 2 220 . 1 1 43 43 TYR HB2 H 1 2.263 0.0 . 1 . . 977 . . 43 TYR HB2 . 19541 2 221 . 1 1 43 43 TYR HB3 H 1 2.263 0.0 . 1 . . 979 . . 43 TYR HB3 . 19541 2 222 . 1 1 43 43 TYR HD1 H 1 6.703 0.013 . 3 . . 320 . . 43 TYR HD1 . 19541 2 223 . 1 1 43 43 TYR HD2 H 1 6.703 0.013 . 3 . . 320 . . 43 TYR HD2 . 19541 2 224 . 1 1 43 43 TYR HE1 H 1 6.630 0.011 . 3 . . 636 . . 43 TYR HE1 . 19541 2 225 . 1 1 43 43 TYR HE2 H 1 6.630 0.011 . 3 . . 636 . . 43 TYR HE2 . 19541 2 226 . 1 1 43 43 TYR N N 15 125.447 0.0 . 1 . . 399 . . 43 TYR N . 19541 2 227 . 1 1 44 44 LEU H H 1 8.767 0.005 . 1 . . 110 . . 44 LEU H . 19541 2 228 . 1 1 44 44 LEU HA H 1 5.080 0.006 . 1 . . 111 . . 44 LEU HA . 19541 2 229 . 1 1 44 44 LEU HD11 H 1 0.346 0.017 . 2 . . 81 . . 44 LEU HD11 . 19541 2 230 . 1 1 44 44 LEU HD12 H 1 0.346 0.017 . 2 . . 81 . . 44 LEU HD12 . 19541 2 231 . 1 1 44 44 LEU HD13 H 1 0.346 0.017 . 2 . . 81 . . 44 LEU HD13 . 19541 2 232 . 1 1 44 44 LEU HD21 H 1 0.381 0.011 . 2 . . 305 . . 44 LEU HD21 . 19541 2 233 . 1 1 44 44 LEU HD22 H 1 0.381 0.011 . 2 . . 305 . . 44 LEU HD22 . 19541 2 234 . 1 1 44 44 LEU HD23 H 1 0.381 0.011 . 2 . . 305 . . 44 LEU HD23 . 19541 2 235 . 1 1 44 44 LEU CD1 C 13 25.306 0.005 . 2 . . 514 . . 44 LEU CD1 . 19541 2 236 . 1 1 44 44 LEU CD2 C 13 27.045 0.019 . 2 . . 616 . . 44 LEU CD2 . 19541 2 237 . 1 1 44 44 LEU N N 15 118.659 0.0 . 1 . . 112 . . 44 LEU N . 19541 2 238 . 1 1 45 45 ALA H H 1 9.102 0.005 . 1 . . 48 . . 45 ALA H . 19541 2 239 . 1 1 45 45 ALA HA H 1 5.573 . . 1 . . 71 . . 45 ALA HA . 19541 2 240 . 1 1 45 45 ALA HB1 H 1 1.374 0.0 . 1 . . 69 . . 45 ALA HB1 . 19541 2 241 . 1 1 45 45 ALA HB2 H 1 1.374 0.0 . 1 . . 69 . . 45 ALA HB2 . 19541 2 242 . 1 1 45 45 ALA HB3 H 1 1.374 0.0 . 1 . . 69 . . 45 ALA HB3 . 19541 2 243 . 1 1 45 45 ALA N N 15 125.968 0.106 . 1 . . 72 . . 45 ALA N . 19541 2 244 . 1 1 46 46 ALA H H 1 8.586 0.003 . 1 . . 68 . . 46 ALA H . 19541 2 245 . 1 1 46 46 ALA HA H 1 4.760 . . 1 . . 181 . . 46 ALA HA . 19541 2 246 . 1 1 46 46 ALA HB1 H 1 1.031 . . 1 . . 180 . . 46 ALA HB1 . 19541 2 247 . 1 1 46 46 ALA HB2 H 1 1.031 . . 1 . . 180 . . 46 ALA HB2 . 19541 2 248 . 1 1 46 46 ALA HB3 H 1 1.031 . . 1 . . 180 . . 46 ALA HB3 . 19541 2 249 . 1 1 46 46 ALA N N 15 124.791 . . 1 . . 70 . . 46 ALA N . 19541 2 250 . 1 1 47 47 GLU H H 1 9.499 0.005 . 1 . . 74 . . 47 GLU H . 19541 2 251 . 1 1 47 47 GLU HA H 1 3.902 . . 1 . . 212 . . 47 GLU HA . 19541 2 252 . 1 1 47 47 GLU N N 15 122.163 . . 1 . . 182 . . 47 GLU N . 19541 2 253 . 1 1 48 48 LYS H H 1 8.634 0.005 . 1 . . 213 . . 48 LYS H . 19541 2 254 . 1 1 48 48 LYS HA H 1 3.917 0.002 . 1 . . 214 . . 48 LYS HA . 19541 2 255 . 1 1 48 48 LYS N N 15 111.871 . . 1 . . 215 . . 48 LYS N . 19541 2 256 . 1 1 49 49 GLN H H 1 7.887 0.002 . 1 . . 75 . . 49 GLN H . 19541 2 257 . 1 1 49 49 GLN HA H 1 4.518 . . 1 . . 216 . . 49 GLN HA . 19541 2 258 . 1 1 49 49 GLN HB2 H 1 1.940 . . 1 . . 333 . . 49 GLN HB2 . 19541 2 259 . 1 1 49 49 GLN HG3 H 1 2.230 0.005 . 1 . . 334 . . 49 GLN HG3 . 19541 2 260 . 1 1 49 49 GLN HE21 H 1 7.538 . . 1 . . 330 . . 49 GLN HE21 . 19541 2 261 . 1 1 49 49 GLN N N 15 118.807 0.096 . 1 . . 217 . . 49 GLN N . 19541 2 262 . 1 1 49 49 GLN NE2 N 15 112.966 . . 1 . . 461 . . 49 GLN NE2 . 19541 2 263 . 1 1 50 50 GLU H H 1 8.110 0.002 . 1 . . 329 . . 50 GLU H . 19541 2 264 . 1 1 50 50 GLU HA H 1 5.066 . . 1 . . 304 . . 50 GLU HA . 19541 2 265 . 1 1 50 50 GLU N N 15 120.613 0.046 . 1 . . 336 . . 50 GLU N . 19541 2 266 . 1 1 51 51 TYR H H 1 9.529 0.005 . 1 . . 73 . . 51 TYR H . 19541 2 267 . 1 1 51 51 TYR HA H 1 4.851 0.004 . 1 . . 339 . . 51 TYR HA . 19541 2 268 . 1 1 51 51 TYR HB2 H 1 2.865 0.003 . 2 . . 837 . . 51 TYR HB2 . 19541 2 269 . 1 1 51 51 TYR HB3 H 1 2.734 0.001 . 2 . . 855 . . 51 TYR HB3 . 19541 2 270 . 1 1 51 51 TYR HD1 H 1 7.005 0.003 . 3 . . 76 . . 51 TYR HD1 . 19541 2 271 . 1 1 51 51 TYR HD2 H 1 7.005 0.003 . 3 . . 76 . . 51 TYR HD2 . 19541 2 272 . 1 1 51 51 TYR HE1 H 1 6.453 0.003 . 3 . . 77 . . 51 TYR HE1 . 19541 2 273 . 1 1 51 51 TYR HE2 H 1 6.453 0.003 . 3 . . 77 . . 51 TYR HE2 . 19541 2 274 . 1 1 51 51 TYR N N 15 123.457 0.063 . 1 . . 243 . . 51 TYR N . 19541 2 275 . 1 1 52 52 ILE H H 1 8.438 0.002 . 1 . . 186 . . 52 ILE H . 19541 2 276 . 1 1 52 52 ILE HA H 1 4.280 0.009 . 1 . . 191 . . 52 ILE HA . 19541 2 277 . 1 1 52 52 ILE HB H 1 1.551 . . 1 . . 190 . . 52 ILE HB . 19541 2 278 . 1 1 52 52 ILE HD11 H 1 0.411 0.005 . 1 . . 187 . . 52 ILE HD11 . 19541 2 279 . 1 1 52 52 ILE HD12 H 1 0.411 0.005 . 1 . . 187 . . 52 ILE HD12 . 19541 2 280 . 1 1 52 52 ILE HD13 H 1 0.411 0.005 . 1 . . 187 . . 52 ILE HD13 . 19541 2 281 . 1 1 52 52 ILE CD1 C 13 13.371 0.035 . 1 . . 579 . . 52 ILE CD1 . 19541 2 282 . 1 1 52 52 ILE N N 15 121.735 0.032 . 1 . . 188 . . 52 ILE N . 19541 2 283 . 1 1 53 53 VAL H H 1 8.786 0.007 . 1 . . 192 . . 53 VAL H . 19541 2 284 . 1 1 53 53 VAL HA H 1 3.910 0.001 . 1 . . 458 . . 53 VAL HA . 19541 2 285 . 1 1 53 53 VAL HG11 H 1 0.765 0.016 . 2 . . 300 . . 53 VAL HG11 . 19541 2 286 . 1 1 53 53 VAL HG12 H 1 0.765 0.016 . 2 . . 300 . . 53 VAL HG12 . 19541 2 287 . 1 1 53 53 VAL HG13 H 1 0.765 0.016 . 2 . . 300 . . 53 VAL HG13 . 19541 2 288 . 1 1 53 53 VAL HG21 H 1 0.806 0.009 . 2 . . 299 . . 53 VAL HG21 . 19541 2 289 . 1 1 53 53 VAL HG22 H 1 0.806 0.009 . 2 . . 299 . . 53 VAL HG22 . 19541 2 290 . 1 1 53 53 VAL HG23 H 1 0.806 0.009 . 2 . . 299 . . 53 VAL HG23 . 19541 2 291 . 1 1 53 53 VAL CG1 C 13 23.794 0.009 . 2 . . 779 . . 53 VAL CG1 . 19541 2 292 . 1 1 53 53 VAL CG2 C 13 22.740 0.02 . 2 . . 612 . . 53 VAL CG2 . 19541 2 293 . 1 1 53 53 VAL N N 15 123.696 0.0 . 1 . . 193 . . 53 VAL N . 19541 2 294 . 1 1 54 54 ALA H H 1 7.142 0.008 . 1 . . 159 . . 54 ALA H . 19541 2 295 . 1 1 54 54 ALA HA H 1 4.463 . . 1 . . 157 . . 54 ALA HA . 19541 2 296 . 1 1 54 54 ALA N N 15 112.526 0.003 . 1 . . 161 . . 54 ALA N . 19541 2 297 . 1 1 55 55 THR H H 1 9.145 0.006 . 1 . . 154 . . 55 THR H . 19541 2 298 . 1 1 55 55 THR HA H 1 4.804 . . 1 . . 158 . . 55 THR HA . 19541 2 299 . 1 1 55 55 THR HB H 1 4.015 . . 1 . . 163 . . 55 THR HB . 19541 2 300 . 1 1 55 55 THR HG1 H 1 6.376 0.003 . 1 . . 162 . . 55 THR HG1 . 19541 2 301 . 1 1 55 55 THR N N 15 117.822 0.05 . 1 . . 156 . . 55 THR N . 19541 2 302 . 1 1 56 56 VAL H H 1 9.008 0.015 . 1 . . 119 . . 56 VAL H . 19541 2 303 . 1 1 56 56 VAL HA H 1 4.930 0.009 . 1 . . 124 . . 56 VAL HA . 19541 2 304 . 1 1 56 56 VAL HB H 1 2.038 . . 1 . . 123 . . 56 VAL HB . 19541 2 305 . 1 1 56 56 VAL HG11 H 1 0.802 0.01 . 2 . . 121 . . 56 VAL HG11 . 19541 2 306 . 1 1 56 56 VAL HG12 H 1 0.802 0.01 . 2 . . 121 . . 56 VAL HG12 . 19541 2 307 . 1 1 56 56 VAL HG13 H 1 0.802 0.01 . 2 . . 121 . . 56 VAL HG13 . 19541 2 308 . 1 1 56 56 VAL HG21 H 1 0.781 0.018 . 2 . . 120 . . 56 VAL HG21 . 19541 2 309 . 1 1 56 56 VAL HG22 H 1 0.781 0.018 . 2 . . 120 . . 56 VAL HG22 . 19541 2 310 . 1 1 56 56 VAL HG23 H 1 0.781 0.018 . 2 . . 120 . . 56 VAL HG23 . 19541 2 311 . 1 1 56 56 VAL CG1 C 13 24.052 0.004 . 2 . . 545 . . 56 VAL CG1 . 19541 2 312 . 1 1 56 56 VAL CG2 C 13 20.669 0.004 . 2 . . 583 . . 56 VAL CG2 . 19541 2 313 . 1 1 56 56 VAL N N 15 119.754 . . 1 . . 122 . . 56 VAL N . 19541 2 314 . 1 1 57 57 THR H H 1 8.080 0.004 . 1 . . 125 . . 57 THR H . 19541 2 315 . 1 1 57 57 THR HA H 1 5.236 0.002 . 1 . . 127 . . 57 THR HA . 19541 2 316 . 1 1 57 57 THR HG1 H 1 5.480 . . 1 . . 128 . . 57 THR HG1 . 19541 2 317 . 1 1 57 57 THR N N 15 112.309 . . 1 . . 126 . . 57 THR N . 19541 2 318 . 1 1 58 58 LYS H H 1 7.825 0.007 . 1 . . 64 . . 58 LYS H . 19541 2 319 . 1 1 58 58 LYS HA H 1 3.895 . . 1 . . 202 . . 58 LYS HA . 19541 2 320 . 1 1 58 58 LYS N N 15 116.470 0.0 . 1 . . 66 . . 58 LYS N . 19541 2 321 . 1 1 59 59 ALA H H 1 7.812 0.008 . 1 . . 196 . . 59 ALA H . 19541 2 322 . 1 1 59 59 ALA HA H 1 4.292 . . 1 . . 197 . . 59 ALA HA . 19541 2 323 . 1 1 59 59 ALA HB1 H 1 1.447 0.004 . 1 . . 199 . . 59 ALA HB1 . 19541 2 324 . 1 1 59 59 ALA HB2 H 1 1.447 0.004 . 1 . . 199 . . 59 ALA HB2 . 19541 2 325 . 1 1 59 59 ALA HB3 H 1 1.447 0.004 . 1 . . 199 . . 59 ALA HB3 . 19541 2 326 . 1 1 59 59 ALA N N 15 116.689 0.0 . 1 . . 198 . . 59 ALA N . 19541 2 327 . 1 1 60 60 ILE H H 1 7.397 0.004 . 1 . . 153 . . 60 ILE H . 19541 2 328 . 1 1 60 60 ILE HA H 1 4.479 . . 1 . . 349 . . 60 ILE HA . 19541 2 329 . 1 1 60 60 ILE HB H 1 2.124 0.009 . 1 . . 348 . . 60 ILE HB . 19541 2 330 . 1 1 60 60 ILE HD11 H 1 1.059 0.006 . 1 . . 352 . . 60 ILE HD11 . 19541 2 331 . 1 1 60 60 ILE HD12 H 1 1.059 0.006 . 1 . . 352 . . 60 ILE HD12 . 19541 2 332 . 1 1 60 60 ILE HD13 H 1 1.059 0.006 . 1 . . 352 . . 60 ILE HD13 . 19541 2 333 . 1 1 60 60 ILE CD1 C 13 14.222 0.004 . 1 . . 657 . . 60 ILE CD1 . 19541 2 334 . 1 1 60 60 ILE N N 15 118.659 0.0 . 1 . . 195 . . 60 ILE N . 19541 2 335 . 1 1 61 61 PRO HD3 H 1 3.690 . . 1 . . 341 . . 61 PRO HD3 . 19541 2 336 . 1 1 62 62 GLN H H 1 7.382 0.004 . 1 . . 340 . . 62 GLN H . 19541 2 337 . 1 1 62 62 GLN HA H 1 5.232 0.013 . 1 . . 345 . . 62 GLN HA . 19541 2 338 . 1 1 62 62 GLN HB2 H 1 2.066 0.004 . 1 . . 350 . . 62 GLN HB2 . 19541 2 339 . 1 1 62 62 GLN HB3 H 1 2.066 0.004 . 1 . . 493 . . 62 GLN HB3 . 19541 2 340 . 1 1 62 62 GLN HE21 H 1 7.110 0.006 . 1 . . 346 . . 62 GLN HE21 . 19541 2 341 . 1 1 62 62 GLN HE22 H 1 7.977 0.003 . 1 . . 344 . . 62 GLN HE22 . 19541 2 342 . 1 1 62 62 GLN N N 15 111.433 0.0 . 1 . . 342 . . 62 GLN N . 19541 2 343 . 1 1 62 62 GLN NE2 N 15 110.995 0.0 . 1 . . 347 . . 62 GLN NE2 . 19541 2 344 . 1 1 63 63 VAL H H 1 8.763 0.005 . 1 . . 49 . . 63 VAL H . 19541 2 345 . 1 1 63 63 VAL HA H 1 4.222 0.003 . 1 . . 174 . . 63 VAL HA . 19541 2 346 . 1 1 63 63 VAL HG11 H 1 0.934 0.007 . 2 . . 175 . . 63 VAL HG11 . 19541 2 347 . 1 1 63 63 VAL HG12 H 1 0.934 0.007 . 2 . . 175 . . 63 VAL HG12 . 19541 2 348 . 1 1 63 63 VAL HG13 H 1 0.934 0.007 . 2 . . 175 . . 63 VAL HG13 . 19541 2 349 . 1 1 63 63 VAL HG21 H 1 0.883 0.012 . 2 . . 176 . . 63 VAL HG21 . 19541 2 350 . 1 1 63 63 VAL HG22 H 1 0.883 0.012 . 2 . . 176 . . 63 VAL HG22 . 19541 2 351 . 1 1 63 63 VAL HG23 H 1 0.883 0.012 . 2 . . 176 . . 63 VAL HG23 . 19541 2 352 . 1 1 63 63 VAL CG1 C 13 22.111 0.004 . 2 . . 661 . . 63 VAL CG1 . 19541 2 353 . 1 1 63 63 VAL CG2 C 13 23.364 0.004 . 2 . . 663 . . 63 VAL CG2 . 19541 2 354 . 1 1 63 63 VAL N N 15 118.223 0.007 . 1 . . 177 . . 63 VAL N . 19541 2 355 . 1 1 64 64 ALA H H 1 8.846 0.009 . 1 . . 170 . . 64 ALA H . 19541 2 356 . 1 1 64 64 ALA HA H 1 4.624 0.001 . 1 . . 173 . . 64 ALA HA . 19541 2 357 . 1 1 64 64 ALA HB1 H 1 1.556 . . 1 . . 115 . . 64 ALA HB1 . 19541 2 358 . 1 1 64 64 ALA HB2 H 1 1.556 . . 1 . . 115 . . 64 ALA HB2 . 19541 2 359 . 1 1 64 64 ALA HB3 H 1 1.556 . . 1 . . 115 . . 64 ALA HB3 . 19541 2 360 . 1 1 64 64 ALA N N 15 132.023 0.015 . 1 . . 172 . . 64 ALA N . 19541 2 361 . 1 1 65 65 LEU H H 1 7.866 0.004 . 1 . . 171 . . 65 LEU H . 19541 2 362 . 1 1 65 65 LEU HA H 1 4.769 0.01 . 1 . . 353 . . 65 LEU HA . 19541 2 363 . 1 1 65 65 LEU HD11 H 1 0.708 0.008 . 2 . . 354 . . 65 LEU HD11 . 19541 2 364 . 1 1 65 65 LEU HD12 H 1 0.708 0.008 . 2 . . 354 . . 65 LEU HD12 . 19541 2 365 . 1 1 65 65 LEU HD13 H 1 0.708 0.008 . 2 . . 354 . . 65 LEU HD13 . 19541 2 366 . 1 1 65 65 LEU HD21 H 1 0.400 0.01 . 2 . . 179 . . 65 LEU HD21 . 19541 2 367 . 1 1 65 65 LEU HD22 H 1 0.400 0.01 . 2 . . 179 . . 65 LEU HD22 . 19541 2 368 . 1 1 65 65 LEU HD23 H 1 0.400 0.01 . 2 . . 179 . . 65 LEU HD23 . 19541 2 369 . 1 1 65 65 LEU CD1 C 13 23.680 0.007 . 2 . . 664 . . 65 LEU CD1 . 19541 2 370 . 1 1 65 65 LEU CD2 C 13 25.790 0.043 . 2 . . 782 . . 65 LEU CD2 . 19541 2 371 . 1 1 65 65 LEU N N 15 121.287 0.0 . 1 . . 178 . . 65 LEU N . 19541 2 372 . 1 1 66 66 ASP H H 1 8.338 0.007 . 1 . . 355 . . 66 ASP H . 19541 2 373 . 1 1 66 66 ASP HA H 1 4.615 . . 1 . . 358 . . 66 ASP HA . 19541 2 374 . 1 1 66 66 ASP N N 15 118.010 0.021 . 1 . . 356 . . 66 ASP N . 19541 2 375 . 1 1 67 67 LEU H H 1 7.242 0.002 . 1 . . 203 . . 67 LEU H . 19541 2 376 . 1 1 67 67 LEU HA H 1 4.676 0.002 . 1 . . 784 . . 67 LEU HA . 19541 2 377 . 1 1 67 67 LEU HB2 H 1 1.353 . . 1 . . 930 . . 67 LEU HB2 . 19541 2 378 . 1 1 67 67 LEU HB3 H 1 1.353 . . 1 . . 931 . . 67 LEU HB3 . 19541 2 379 . 1 1 67 67 LEU HG H 1 1.119 . . 1 . . 929 . . 67 LEU HG . 19541 2 380 . 1 1 67 67 LEU HD11 H 1 0.921 0.008 . 2 . . 434 . . 67 LEU HD11 . 19541 2 381 . 1 1 67 67 LEU HD12 H 1 0.921 0.008 . 2 . . 434 . . 67 LEU HD12 . 19541 2 382 . 1 1 67 67 LEU HD13 H 1 0.921 0.008 . 2 . . 434 . . 67 LEU HD13 . 19541 2 383 . 1 1 67 67 LEU HD21 H 1 1.028 0.01 . 2 . . 472 . . 67 LEU HD21 . 19541 2 384 . 1 1 67 67 LEU HD22 H 1 1.028 0.01 . 2 . . 472 . . 67 LEU HD22 . 19541 2 385 . 1 1 67 67 LEU HD23 H 1 1.028 0.01 . 2 . . 472 . . 67 LEU HD23 . 19541 2 386 . 1 1 67 67 LEU CD1 C 13 25.995 0.006 . 2 . . 783 . . 67 LEU CD1 . 19541 2 387 . 1 1 67 67 LEU CD2 C 13 22.919 0.009 . 2 . . 785 . . 67 LEU CD2 . 19541 2 388 . 1 1 67 67 LEU N N 15 120.853 0.014 . 1 . . 204 . . 67 LEU N . 19541 2 389 . 1 1 68 68 ASN H H 1 7.661 0.001 . 1 . . 864 . . 68 ASN H . 19541 2 390 . 1 1 68 68 ASN HA H 1 5.114 . . 1 . . 865 . . 68 ASN HA . 19541 2 391 . 1 1 68 68 ASN HD21 H 1 7.237 0.003 . 1 . . 871 . . 68 ASN HD21 . 19541 2 392 . 1 1 68 68 ASN HD22 H 1 4.096 . . 1 . . 872 . . 68 ASN HD22 . 19541 2 393 . 1 1 68 68 ASN N N 15 117.781 0.006 . 1 . . 859 . . 68 ASN N . 19541 2 394 . 1 1 68 68 ASN ND2 N 15 115.156 . . 1 . . 873 . . 68 ASN ND2 . 19541 2 395 . 1 1 69 69 PHE H H 1 7.852 0.003 . 1 . . 234 . . 69 PHE H . 19541 2 396 . 1 1 69 69 PHE HA H 1 5.046 . . 1 . . 361 . . 69 PHE HA . 19541 2 397 . 1 1 69 69 PHE HB2 H 1 2.933 0.001 . 1 . . 978 . . 69 PHE HB2 . 19541 2 398 . 1 1 69 69 PHE HB3 H 1 2.933 0.001 . 1 . . 980 . . 69 PHE HB3 . 19541 2 399 . 1 1 69 69 PHE HD1 H 1 6.450 0.006 . 3 . . 470 . . 69 PHE HD1 . 19541 2 400 . 1 1 69 69 PHE HD2 H 1 6.450 0.006 . 3 . . 470 . . 69 PHE HD2 . 19541 2 401 . 1 1 69 69 PHE HE1 H 1 6.833 0.004 . 3 . . 359 . . 69 PHE HE1 . 19541 2 402 . 1 1 69 69 PHE HE2 H 1 6.833 0.004 . 3 . . 359 . . 69 PHE HE2 . 19541 2 403 . 1 1 69 69 PHE HZ H 1 6.628 0.005 . 1 . . 772 . . 69 PHE HZ . 19541 2 404 . 1 1 69 69 PHE N N 15 114.061 0.0 . 1 . . 360 . . 69 PHE N . 19541 2 405 . 1 1 70 70 SER H H 1 10.619 0.007 . 1 . . 866 . . 70 SER H . 19541 2 406 . 1 1 70 70 SER HA H 1 4.835 0.006 . 1 . . 815 . . 70 SER HA . 19541 2 407 . 1 1 70 70 SER N N 15 118.659 . . 1 . . 861 . . 70 SER N . 19541 2 408 . 1 1 71 71 LYS H H 1 8.525 0.003 . 1 . . 362 . . 71 LYS H . 19541 2 409 . 1 1 71 71 LYS HA H 1 4.056 . . 1 . . 363 . . 71 LYS HA . 19541 2 410 . 1 1 71 71 LYS N N 15 116.907 . . 1 . . 364 . . 71 LYS N . 19541 2 411 . 1 1 72 72 GLY H H 1 8.413 0.006 . 1 . . 368 . . 72 GLY H . 19541 2 412 . 1 1 72 72 GLY HA2 H 1 3.202 . . 2 . . 370 . . 72 GLY HA2 . 19541 2 413 . 1 1 72 72 GLY HA3 H 1 4.084 0.004 . 2 . . 498 . . 72 GLY HA3 . 19541 2 414 . 1 1 72 72 GLY N N 15 106.397 . . 1 . . 369 . . 72 GLY N . 19541 2 415 . 1 1 73 73 ASP H H 1 8.196 0.003 . 1 . . 371 . . 73 ASP H . 19541 2 416 . 1 1 73 73 ASP N N 15 121.725 0.0 . 1 . . 372 . . 73 ASP N . 19541 2 417 . 1 1 74 74 ARG H H 1 8.811 0.006 . 1 . . 222 . . 74 ARG H . 19541 2 418 . 1 1 74 74 ARG HA H 1 4.823 . . 1 . . 825 . . 74 ARG HA . 19541 2 419 . 1 1 74 74 ARG HE H 1 7.297 0.007 . 1 . . 224 . . 74 ARG HE . 19541 2 420 . 1 1 74 74 ARG N N 15 125.228 . . 1 . . 223 . . 74 ARG N . 19541 2 421 . 1 1 74 74 ARG NE N 15 112.747 . . 1 . . 225 . . 74 ARG NE . 19541 2 422 . 1 1 75 75 ILE H H 1 8.339 0.003 . 1 . . 78 . . 75 ILE H . 19541 2 423 . 1 1 75 75 ILE HA H 1 5.148 0.006 . 1 . . 129 . . 75 ILE HA . 19541 2 424 . 1 1 75 75 ILE HB H 1 1.168 . . 1 . . 373 . . 75 ILE HB . 19541 2 425 . 1 1 75 75 ILE HD11 H 1 -0.148 0.005 . 1 . . 46 . . 75 ILE HD11 . 19541 2 426 . 1 1 75 75 ILE HD12 H 1 -0.148 0.005 . 1 . . 46 . . 75 ILE HD12 . 19541 2 427 . 1 1 75 75 ILE HD13 H 1 -0.148 0.005 . 1 . . 46 . . 75 ILE HD13 . 19541 2 428 . 1 1 75 75 ILE CD1 C 13 12.527 0.004 . 1 . . 508 . . 75 ILE CD1 . 19541 2 429 . 1 1 75 75 ILE N N 15 117.783 0.0 . 1 . . 80 . . 75 ILE N . 19541 2 430 . 1 1 76 76 MET H H 1 8.003 0.005 . 1 . . 45 . . 76 MET H . 19541 2 431 . 1 1 76 76 MET HA H 1 4.949 . . 1 . . 374 . . 76 MET HA . 19541 2 432 . 1 1 76 76 MET HB2 H 1 1.978 . . 1 . . 380 . . 76 MET HB2 . 19541 2 433 . 1 1 76 76 MET HB3 H 1 1.978 . . 1 . . 500 . . 76 MET HB3 . 19541 2 434 . 1 1 76 76 MET N N 15 120.630 0.0 . 1 . . 47 . . 76 MET N . 19541 2 435 . 1 1 77 77 PHE H H 1 8.187 0.003 . 1 . . 375 . . 77 PHE H . 19541 2 436 . 1 1 77 77 PHE HA H 1 5.843 0.001 . 1 . . 220 . . 77 PHE HA . 19541 2 437 . 1 1 77 77 PHE HB2 H 1 2.712 0.001 . 2 . . 384 . . 77 PHE HB2 . 19541 2 438 . 1 1 77 77 PHE HB3 H 1 3.180 0.003 . 2 . . 378 . . 77 PHE HB3 . 19541 2 439 . 1 1 77 77 PHE HD1 H 1 7.116 0.004 . 3 . . 221 . . 77 PHE HD1 . 19541 2 440 . 1 1 77 77 PHE HD2 H 1 7.116 0.004 . 3 . . 221 . . 77 PHE HD2 . 19541 2 441 . 1 1 77 77 PHE HE1 H 1 6.834 0.004 . 3 . . 694 . . 77 PHE HE1 . 19541 2 442 . 1 1 77 77 PHE HE2 H 1 6.834 0.004 . 3 . . 694 . . 77 PHE HE2 . 19541 2 443 . 1 1 77 77 PHE HZ H 1 6.912 0.005 . 1 . . 867 . . 77 PHE HZ . 19541 2 444 . 1 1 77 77 PHE N N 15 120.192 0.0 . 1 . . 376 . . 77 PHE N . 19541 2 445 . 1 1 78 78 TYR H H 1 8.579 0.004 . 1 . . 218 . . 78 TYR H . 19541 2 446 . 1 1 78 78 TYR HA H 1 5.236 . . 1 . . 383 . . 78 TYR HA . 19541 2 447 . 1 1 78 78 TYR HB2 H 1 2.021 . . 2 . . 385 . . 78 TYR HB2 . 19541 2 448 . 1 1 78 78 TYR HB3 H 1 2.887 0.004 . 2 . . 502 . . 78 TYR HB3 . 19541 2 449 . 1 1 78 78 TYR HD1 H 1 6.738 0.002 . 3 . . 208 . . 78 TYR HD1 . 19541 2 450 . 1 1 78 78 TYR HD2 H 1 6.738 0.002 . 3 . . 208 . . 78 TYR HD2 . 19541 2 451 . 1 1 78 78 TYR HE1 H 1 6.396 0.005 . 3 . . 382 . . 78 TYR HE1 . 19541 2 452 . 1 1 78 78 TYR HE2 H 1 6.396 0.005 . 3 . . 382 . . 78 TYR HE2 . 19541 2 453 . 1 1 78 78 TYR N N 15 116.032 . . 1 . . 219 . . 78 TYR N . 19541 2 454 . 1 1 79 79 THR H H 1 10.292 0.004 . 1 . . 207 . . 79 THR H . 19541 2 455 . 1 1 79 79 THR HA H 1 6.183 0.015 . 1 . . 389 . . 79 THR HA . 19541 2 456 . 1 1 79 79 THR HB H 1 4.137 . . 1 . . 387 . . 79 THR HB . 19541 2 457 . 1 1 79 79 THR HG1 H 1 5.923 0.006 . 1 . . 672 . . 79 THR HG1 . 19541 2 458 . 1 1 79 79 THR N N 15 110.995 0.0 . 1 . . 209 . . 79 THR N . 19541 2 459 . 1 1 80 80 ALA H H 1 9.214 0.004 . 1 . . 82 . . 80 ALA H . 19541 2 460 . 1 1 80 80 ALA HA H 1 5.097 . . 1 . . 83 . . 80 ALA HA . 19541 2 461 . 1 1 80 80 ALA HB1 H 1 1.671 0.012 . 1 . . 85 . . 80 ALA HB1 . 19541 2 462 . 1 1 80 80 ALA HB2 H 1 1.671 0.012 . 1 . . 85 . . 80 ALA HB2 . 19541 2 463 . 1 1 80 80 ALA HB3 H 1 1.671 0.012 . 1 . . 85 . . 80 ALA HB3 . 19541 2 464 . 1 1 80 80 ALA N N 15 121.944 0.0 . 1 . . 84 . . 80 ALA N . 19541 2 465 . 1 1 81 81 GLY H H 1 8.988 0.004 . 1 . . 86 . . 81 GLY H . 19541 2 466 . 1 1 81 81 GLY HA2 H 1 5.073 . . 2 . . 87 . . 81 GLY HA2 . 19541 2 467 . 1 1 81 81 GLY HA3 H 1 3.893 . . 2 . . 390 . . 81 GLY HA3 . 19541 2 468 . 1 1 81 81 GLY N N 15 111.871 . . 1 . . 88 . . 81 GLY N . 19541 2 469 . 1 1 82 82 ASP H H 1 8.666 0.006 . 1 . . 62 . . 82 ASP H . 19541 2 470 . 1 1 82 82 ASP HB2 H 1 2.632 . . 1 . . 394 . . 82 ASP HB2 . 19541 2 471 . 1 1 82 82 ASP N N 15 115.164 0.019 . 1 . . 392 . . 82 ASP N . 19541 2 472 . 1 1 83 83 ALA H H 1 7.843 0.008 . 1 . . 56 . . 83 ALA H . 19541 2 473 . 1 1 83 83 ALA HA H 1 4.869 . . 1 . . 98 . . 83 ALA HA . 19541 2 474 . 1 1 83 83 ALA HB1 H 1 1.126 . . 1 . . 97 . . 83 ALA HB1 . 19541 2 475 . 1 1 83 83 ALA HB2 H 1 1.126 . . 1 . . 97 . . 83 ALA HB2 . 19541 2 476 . 1 1 83 83 ALA HB3 H 1 1.126 . . 1 . . 97 . . 83 ALA HB3 . 19541 2 477 . 1 1 83 83 ALA N N 15 122.601 0.0 . 1 . . 63 . . 83 ALA N . 19541 2 478 . 1 1 84 84 SER H H 1 8.754 0.006 . 1 . . 31 . . 84 SER H . 19541 2 479 . 1 1 84 84 SER HA H 1 4.714 . . 1 . . 298 . . 84 SER HA . 19541 2 480 . 1 1 84 84 SER N N 15 115.813 . . 1 . . 55 . . 84 SER N . 19541 2 481 . 1 1 85 85 VAL H H 1 7.881 0.002 . 1 . . 18 . . 85 VAL H . 19541 2 482 . 1 1 85 85 VAL HA H 1 5.498 0.001 . 1 . . 25 . . 85 VAL HA . 19541 2 483 . 1 1 85 85 VAL HG11 H 1 0.564 0.01 . 2 . . 108 . . 85 VAL HG11 . 19541 2 484 . 1 1 85 85 VAL HG12 H 1 0.564 0.01 . 2 . . 108 . . 85 VAL HG12 . 19541 2 485 . 1 1 85 85 VAL HG13 H 1 0.564 0.01 . 2 . . 108 . . 85 VAL HG13 . 19541 2 486 . 1 1 85 85 VAL HG21 H 1 0.652 0.013 . 2 . . 113 . . 85 VAL HG21 . 19541 2 487 . 1 1 85 85 VAL HG22 H 1 0.652 0.013 . 2 . . 113 . . 85 VAL HG22 . 19541 2 488 . 1 1 85 85 VAL HG23 H 1 0.652 0.013 . 2 . . 113 . . 85 VAL HG23 . 19541 2 489 . 1 1 85 85 VAL CG1 C 13 21.858 0.004 . 2 . . 582 . . 85 VAL CG1 . 19541 2 490 . 1 1 85 85 VAL CG2 C 13 19.792 0.003 . 2 . . 765 . . 85 VAL CG2 . 19541 2 491 . 1 1 85 85 VAL N N 15 111.470 0.082 . 1 . . 26 . . 85 VAL N . 19541 2 492 . 1 1 86 86 SER H H 1 9.030 0.004 . 1 . . 27 . . 86 SER H . 19541 2 493 . 1 1 86 86 SER HA H 1 5.562 0.001 . 1 . . 15 . . 86 SER HA . 19541 2 494 . 1 1 86 86 SER HG H 1 6.156 0.01 . 1 . . 869 . . 86 SER HG . 19541 2 495 . 1 1 86 86 SER N N 15 115.813 0.0 . 1 . . 28 . . 86 SER N . 19541 2 496 . 1 1 87 87 LEU H H 1 9.442 0.005 . 1 . . 23 . . 87 LEU H . 19541 2 497 . 1 1 87 87 LEU HA H 1 5.163 0.003 . 1 . . 32 . . 87 LEU HA . 19541 2 498 . 1 1 87 87 LEU HB2 H 1 1.762 0.005 . 2 . . 33 . . 87 LEU HB2 . 19541 2 499 . 1 1 87 87 LEU HB3 H 1 1.431 . . 2 . . 35 . . 87 LEU HB3 . 19541 2 500 . 1 1 87 87 LEU HG H 1 1.431 . . 1 . . 34 . . 87 LEU HG . 19541 2 501 . 1 1 87 87 LEU HD11 H 1 0.514 0.014 . 2 . . 101 . . 87 LEU HD11 . 19541 2 502 . 1 1 87 87 LEU HD12 H 1 0.514 0.014 . 2 . . 101 . . 87 LEU HD12 . 19541 2 503 . 1 1 87 87 LEU HD13 H 1 0.514 0.014 . 2 . . 101 . . 87 LEU HD13 . 19541 2 504 . 1 1 87 87 LEU HD21 H 1 0.381 0.008 . 2 . . 102 . . 87 LEU HD21 . 19541 2 505 . 1 1 87 87 LEU HD22 H 1 0.381 0.008 . 2 . . 102 . . 87 LEU HD22 . 19541 2 506 . 1 1 87 87 LEU HD23 H 1 0.381 0.008 . 2 . . 102 . . 87 LEU HD23 . 19541 2 507 . 1 1 87 87 LEU CD1 C 13 25.550 0.007 . 2 . . 605 . . 87 LEU CD1 . 19541 2 508 . 1 1 87 87 LEU CD2 C 13 24.800 0.0 . 2 . . 769 . . 87 LEU CD2 . 19541 2 509 . 1 1 87 87 LEU N N 15 127.622 0.056 . 1 . . 24 . . 87 LEU N . 19541 2 510 . 1 1 88 88 LEU H H 1 8.457 0.009 . 1 . . 36 . . 88 LEU H . 19541 2 511 . 1 1 88 88 LEU HA H 1 5.128 0.014 . 1 . . 296 . . 88 LEU HA . 19541 2 512 . 1 1 88 88 LEU HD11 H 1 0.944 0.009 . 2 . . 315 . . 88 LEU HD11 . 19541 2 513 . 1 1 88 88 LEU HD12 H 1 0.944 0.009 . 2 . . 315 . . 88 LEU HD12 . 19541 2 514 . 1 1 88 88 LEU HD13 H 1 0.944 0.009 . 2 . . 315 . . 88 LEU HD13 . 19541 2 515 . 1 1 88 88 LEU HD21 H 1 1.031 0.007 . 2 . . 316 . . 88 LEU HD21 . 19541 2 516 . 1 1 88 88 LEU HD22 H 1 1.031 0.007 . 2 . . 316 . . 88 LEU HD22 . 19541 2 517 . 1 1 88 88 LEU HD23 H 1 1.031 0.007 . 2 . . 316 . . 88 LEU HD23 . 19541 2 518 . 1 1 88 88 LEU CD1 C 13 24.556 0.02 . 2 . . 623 . . 88 LEU CD1 . 19541 2 519 . 1 1 88 88 LEU CD2 C 13 27.116 0.007 . 2 . . 786 . . 88 LEU CD2 . 19541 2 520 . 1 1 88 88 LEU N N 15 120.411 0.0 . 1 . . 297 . . 88 LEU N . 19541 2 521 . 1 1 89 89 GLY H H 1 8.577 0.004 . 1 . . 2 . . 89 GLY H . 19541 2 522 . 1 1 89 89 GLY HA2 H 1 4.032 0.006 . 1 . . 314 . . 89 GLY HA2 . 19541 2 523 . 1 1 89 89 GLY HA3 H 1 4.032 0.006 . 1 . . 504 . . 89 GLY HA3 . 19541 2 524 . 1 1 89 89 GLY N N 15 107.688 0.036 . 1 . . 313 . . 89 GLY N . 19541 2 525 . 1 1 90 90 TYR H H 1 8.648 0.009 . 1 . . 466 . . 90 TYR H . 19541 2 526 . 1 1 90 90 TYR HA H 1 5.553 0.001 . 1 . . 295 . . 90 TYR HA . 19541 2 527 . 1 1 90 90 TYR HB2 H 1 3.302 0.002 . 2 . . 1101 . . 90 TYR HB2 . 19541 2 528 . 1 1 90 90 TYR HB3 H 1 2.932 0.0 . 2 . . 928 . . 90 TYR HB3 . 19541 2 529 . 1 1 90 90 TYR HD1 H 1 6.828 0.003 . 3 . . 468 . . 90 TYR HD1 . 19541 2 530 . 1 1 90 90 TYR HD2 H 1 6.828 0.003 . 3 . . 468 . . 90 TYR HD2 . 19541 2 531 . 1 1 90 90 TYR HE1 H 1 6.452 0.001 . 3 . . 1098 . . 90 TYR HE1 . 19541 2 532 . 1 1 90 90 TYR HE2 H 1 6.452 0.001 . 3 . . 1098 . . 90 TYR HE2 . 19541 2 533 . 1 1 90 90 TYR N N 15 118.659 0.0 . 1 . . 467 . . 90 TYR N . 19541 2 534 . 1 1 91 91 LEU H H 1 9.367 0.003 . 1 . . 293 . . 91 LEU H . 19541 2 535 . 1 1 91 91 LEU HA H 1 4.672 0.006 . 1 . . 777 . . 91 LEU HA . 19541 2 536 . 1 1 91 91 LEU HB2 H 1 1.777 . . 1 . . 290 . . 91 LEU HB2 . 19541 2 537 . 1 1 91 91 LEU HB3 H 1 1.777 . . 1 . . 505 . . 91 LEU HB3 . 19541 2 538 . 1 1 91 91 LEU HG H 1 1.781 0.003 . 1 . . 619 . . 91 LEU HG . 19541 2 539 . 1 1 91 91 LEU HD11 H 1 0.961 0.008 . 2 . . 292 . . 91 LEU HD11 . 19541 2 540 . 1 1 91 91 LEU HD12 H 1 0.961 0.008 . 2 . . 292 . . 91 LEU HD12 . 19541 2 541 . 1 1 91 91 LEU HD13 H 1 0.961 0.008 . 2 . . 292 . . 91 LEU HD13 . 19541 2 542 . 1 1 91 91 LEU HD21 H 1 1.066 0.013 . 2 . . 291 . . 91 LEU HD21 . 19541 2 543 . 1 1 91 91 LEU HD22 H 1 1.066 0.013 . 2 . . 291 . . 91 LEU HD22 . 19541 2 544 . 1 1 91 91 LEU HD23 H 1 1.066 0.013 . 2 . . 291 . . 91 LEU HD23 . 19541 2 545 . 1 1 91 91 LEU CD1 C 13 23.615 0.004 . 2 . . 602 . . 91 LEU CD1 . 19541 2 546 . 1 1 91 91 LEU CD2 C 13 26.184 0.003 . 2 . . 603 . . 91 LEU CD2 . 19541 2 547 . 1 1 91 91 LEU N N 15 119.196 0.108 . 1 . . 294 . . 91 LEU N . 19541 2 548 . 1 1 92 92 HIS H H 1 7.930 0.006 . 1 . . 287 . . 92 HIS H . 19541 2 549 . 1 1 92 92 HIS HA H 1 4.666 . . 1 . . 284 . . 92 HIS HA . 19541 2 550 . 1 1 92 92 HIS N N 15 117.126 0.0 . 1 . . 288 . . 92 HIS N . 19541 2 551 . 1 1 93 93 ASP H H 1 8.468 0.002 . 1 . . 282 . . 93 ASP H . 19541 2 552 . 1 1 93 93 ASP HA H 1 4.585 . . 1 . . 279 . . 93 ASP HA . 19541 2 553 . 1 1 93 93 ASP N N 15 120.849 . . 1 . . 283 . . 93 ASP N . 19541 2 554 . 1 1 94 94 ILE H H 1 8.138 0.008 . 1 . . 148 . . 94 ILE H . 19541 2 555 . 1 1 94 94 ILE HA H 1 4.178 . . 1 . . 164 . . 94 ILE HA . 19541 2 556 . 1 1 94 94 ILE HD11 H 1 0.782 0.007 . 1 . . 169 . . 94 ILE HD11 . 19541 2 557 . 1 1 94 94 ILE HD12 H 1 0.782 0.007 . 1 . . 169 . . 94 ILE HD12 . 19541 2 558 . 1 1 94 94 ILE HD13 H 1 0.782 0.007 . 1 . . 169 . . 94 ILE HD13 . 19541 2 559 . 1 1 94 94 ILE CD1 C 13 13.410 . . 1 . . 585 . . 94 ILE CD1 . 19541 2 560 . 1 1 94 94 ILE N N 15 119.316 0.0 . 1 . . 165 . . 94 ILE N . 19541 2 561 . 1 1 95 95 ASP H H 1 8.410 0.003 . 1 . . 147 . . 95 ASP H . 19541 2 562 . 1 1 95 95 ASP HB2 H 1 2.632 . . 1 . . 278 . . 95 ASP HB2 . 19541 2 563 . 1 1 95 95 ASP N N 15 123.148 0.109 . 1 . . 149 . . 95 ASP N . 19541 2 564 . 1 1 97 97 GLY H H 1 8.468 0.003 . 1 . . 265 . . 97 GLY H . 19541 2 565 . 1 1 97 97 GLY HA2 H 1 3.974 . . 1 . . 268 . . 97 GLY HA2 . 19541 2 566 . 1 1 97 97 GLY HA3 H 1 3.974 . . 1 . . 506 . . 97 GLY HA3 . 19541 2 567 . 1 1 97 97 GLY N N 15 110.776 . . 1 . . 271 . . 97 GLY N . 19541 2 568 . 1 1 98 98 SER H H 1 7.886 0.002 . 1 . . 264 . . 98 SER H . 19541 2 569 . 1 1 98 98 SER N N 15 120.630 . . 1 . . 266 . . 98 SER N . 19541 2 570 . 2 1 44 44 LEU HD11 H 1 0.362 0.002 . 2 . . 887 . . 44 LEU HD11 . 19541 2 571 . 2 1 44 44 LEU HD12 H 1 0.362 0.002 . 2 . . 887 . . 44 LEU HD12 . 19541 2 572 . 2 1 44 44 LEU HD13 H 1 0.362 0.002 . 2 . . 887 . . 44 LEU HD13 . 19541 2 573 . 2 1 44 44 LEU HD21 H 1 0.373 0.016 . 2 . . 888 . . 44 LEU HD21 . 19541 2 574 . 2 1 44 44 LEU HD22 H 1 0.373 0.016 . 2 . . 888 . . 44 LEU HD22 . 19541 2 575 . 2 1 44 44 LEU HD23 H 1 0.373 0.016 . 2 . . 888 . . 44 LEU HD23 . 19541 2 576 . 2 1 50 50 GLU H H 1 8.115 0.009 . 1 . . 901 . . 50 GLU H . 19541 2 577 . 2 1 51 51 TYR HD1 H 1 7.000 0.006 . 3 . . 885 . . 51 TYR HD1 . 19541 2 578 . 2 1 51 51 TYR HD2 H 1 7.000 0.006 . 3 . . 885 . . 51 TYR HD2 . 19541 2 579 . 2 1 51 51 TYR HE1 H 1 6.458 0.005 . 3 . . 886 . . 51 TYR HE1 . 19541 2 580 . 2 1 51 51 TYR HE2 H 1 6.458 0.005 . 3 . . 886 . . 51 TYR HE2 . 19541 2 581 . 2 1 52 52 ILE HD11 H 1 0.410 0.016 . 1 . . 912 . . 52 ILE HD11 . 19541 2 582 . 2 1 52 52 ILE HD12 H 1 0.410 0.016 . 1 . . 912 . . 52 ILE HD12 . 19541 2 583 . 2 1 52 52 ILE HD13 H 1 0.410 0.016 . 1 . . 912 . . 52 ILE HD13 . 19541 2 584 . 2 1 53 53 VAL HB H 1 1.554 . . 1 . . 919 . . 53 VAL HB . 19541 2 585 . 2 1 53 53 VAL HG11 H 1 0.807 0.032 . 2 . . 920 . . 53 VAL HG11 . 19541 2 586 . 2 1 53 53 VAL HG12 H 1 0.807 0.032 . 2 . . 920 . . 53 VAL HG12 . 19541 2 587 . 2 1 53 53 VAL HG13 H 1 0.807 0.032 . 2 . . 920 . . 53 VAL HG13 . 19541 2 588 . 2 1 53 53 VAL HG21 H 1 0.810 0.011 . 2 . . 921 . . 53 VAL HG21 . 19541 2 589 . 2 1 53 53 VAL HG22 H 1 0.810 0.011 . 2 . . 921 . . 53 VAL HG22 . 19541 2 590 . 2 1 53 53 VAL HG23 H 1 0.810 0.011 . 2 . . 921 . . 53 VAL HG23 . 19541 2 591 . 2 1 55 55 THR H H 1 9.141 . . 1 . . 906 . . 55 THR H . 19541 2 592 . 2 1 55 55 THR HG1 H 1 6.375 . . 1 . . 905 . . 55 THR HG1 . 19541 2 593 . 2 1 63 63 VAL HG11 H 1 0.890 . . 2 . . 916 . . 63 VAL HG11 . 19541 2 594 . 2 1 63 63 VAL HG12 H 1 0.890 . . 2 . . 916 . . 63 VAL HG12 . 19541 2 595 . 2 1 63 63 VAL HG13 H 1 0.890 . . 2 . . 916 . . 63 VAL HG13 . 19541 2 596 . 2 1 63 63 VAL HG21 H 1 0.886 0.004 . 2 . . 917 . . 63 VAL HG21 . 19541 2 597 . 2 1 63 63 VAL HG22 H 1 0.886 0.004 . 2 . . 917 . . 63 VAL HG22 . 19541 2 598 . 2 1 63 63 VAL HG23 H 1 0.886 0.004 . 2 . . 917 . . 63 VAL HG23 . 19541 2 599 . 2 1 65 65 LEU HD11 H 1 0.740 . . 1 . . 899 . . 65 LEU HD11 . 19541 2 600 . 2 1 65 65 LEU HD12 H 1 0.740 . . 1 . . 899 . . 65 LEU HD12 . 19541 2 601 . 2 1 65 65 LEU HD13 H 1 0.740 . . 1 . . 899 . . 65 LEU HD13 . 19541 2 602 . 2 1 69 69 PHE HD1 H 1 6.455 0.0 . 3 . . 880 . . 69 PHE HD1 . 19541 2 603 . 2 1 69 69 PHE HD2 H 1 6.455 0.0 . 3 . . 880 . . 69 PHE HD2 . 19541 2 604 . 2 1 69 69 PHE HE1 H 1 6.842 . . 3 . . 881 . . 69 PHE HE1 . 19541 2 605 . 2 1 69 69 PHE HE2 H 1 6.842 . . 3 . . 881 . . 69 PHE HE2 . 19541 2 606 . 2 1 77 77 PHE HE1 H 1 6.842 . . 3 . . 894 . . 77 PHE HE1 . 19541 2 607 . 2 1 77 77 PHE HE2 H 1 6.842 . . 3 . . 894 . . 77 PHE HE2 . 19541 2 608 . 2 1 90 90 TYR HB2 H 1 3.301 . . 1 . . 1103 . . 90 TYR HB2 . 19541 2 609 . 2 1 90 90 TYR HE1 H 1 6.451 . . 3 . . 1100 . . 90 TYR HE1 . 19541 2 610 . 2 1 90 90 TYR HE2 H 1 6.451 . . 3 . . 1100 . . 90 TYR HE2 . 19541 2 611 . 5 1 8 8 PHE HB2 H 1 3.301 . . 1 . . 946 . . 8 PHE HB2 . 19541 2 612 . 5 1 8 8 PHE HD1 H 1 7.114 0.005 . 3 . . 943 . . 8 PHE HD1 . 19541 2 613 . 5 1 8 8 PHE HD2 H 1 7.114 0.005 . 3 . . 943 . . 8 PHE HD2 . 19541 2 614 . 5 1 8 8 PHE HE1 H 1 6.713 0.009 . 3 . . 944 . . 8 PHE HE1 . 19541 2 615 . 5 1 8 8 PHE HE2 H 1 6.713 0.009 . 3 . . 944 . . 8 PHE HE2 . 19541 2 616 . 5 1 8 8 PHE HZ H 1 5.850 0.007 . 1 . . 942 . . 8 PHE HZ . 19541 2 617 . 5 1 12 12 ASN HD21 H 1 7.229 . . 1 . . 965 . . 12 ASN HD21 . 19541 2 618 . 5 1 12 12 ASN HD22 H 1 6.299 . . 1 . . 967 . . 12 ASN HD22 . 19541 2 619 . 5 1 30 30 SER HG H 1 5.387 0.008 . 1 . . 1110 . . 30 SER HG . 19541 2 620 . 5 1 35 35 ASP H H 1 8.956 . . 1 . . 947 . . 35 ASP H . 19541 2 621 . 5 1 60 60 ILE H H 1 7.388 . . 1 . . 939 . . 60 ILE H . 19541 2 622 . 5 1 62 62 GLN H H 1 7.384 0.004 . 1 . . 976 . . 62 GLN H . 19541 2 623 . 5 1 62 62 GLN HE21 H 1 7.105 0.007 . 1 . . 974 . . 62 GLN HE21 . 19541 2 624 . 5 1 62 62 GLN HE22 H 1 7.979 0.008 . 1 . . 1095 . . 62 GLN HE22 . 19541 2 625 . 5 1 86 86 SER HG H 1 6.154 0.001 . 1 . . 1096 . . 86 SER HG . 19541 2 626 . 5 1 88 88 LEU HD11 H 1 1.023 0.012 . 2 . . 968 . . 88 LEU HD11 . 19541 2 627 . 5 1 88 88 LEU HD12 H 1 1.023 0.012 . 2 . . 968 . . 88 LEU HD12 . 19541 2 628 . 5 1 88 88 LEU HD13 H 1 1.023 0.012 . 2 . . 968 . . 88 LEU HD13 . 19541 2 629 . 5 1 88 88 LEU HD21 H 1 0.940 0.001 . 2 . . 969 . . 88 LEU HD21 . 19541 2 630 . 5 1 88 88 LEU HD22 H 1 0.940 0.001 . 2 . . 969 . . 88 LEU HD22 . 19541 2 631 . 5 1 88 88 LEU HD23 H 1 0.940 0.001 . 2 . . 969 . . 88 LEU HD23 . 19541 2 632 . 5 1 90 90 TYR HB2 H 1 3.301 . . 1 . . 1102 . . 90 TYR HB2 . 19541 2 633 . 5 1 90 90 TYR HD1 H 1 6.829 0.007 . 3 . . 956 . . 90 TYR HD1 . 19541 2 634 . 5 1 90 90 TYR HD2 H 1 6.829 0.007 . 3 . . 956 . . 90 TYR HD2 . 19541 2 635 . 5 1 90 90 TYR HE1 H 1 6.451 0.001 . 3 . . 1099 . . 90 TYR HE1 . 19541 2 636 . 5 1 90 90 TYR HE2 H 1 6.451 0.001 . 3 . . 1099 . . 90 TYR HE2 . 19541 2 stop_ save_ ################################### # 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_2_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2_3 _Assigned_chem_shift_list.Entry_ID 19541 _Assigned_chem_shift_list.ID 3 _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 '3D 1H-15N NOESY' 1 $sample_1 isotropic 19541 3 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 19541 3 7 '3D 1H-15N NOESY' 1 $sample_1 isotropic 19541 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PHE HA H 1 4.252 0.004 . 1 . . 520 . . 1 PHE HA . 19541 3 2 . 1 1 1 1 PHE HB2 H 1 3.166 0.003 . 2 . . 548 . . 1 PHE HB2 . 19541 3 3 . 1 1 1 1 PHE HB3 H 1 3.166 0.003 . 2 . . 803 . . 1 PHE HB3 . 19541 3 4 . 1 1 1 1 PHE HD1 H 1 7.232 0.012 . 3 . . 521 . . 1 PHE HD1 . 19541 3 5 . 1 1 1 1 PHE HD2 H 1 7.232 0.012 . 3 . . 521 . . 1 PHE HD2 . 19541 3 6 . 1 1 1 1 PHE HE1 H 1 7.328 0.0 . 3 . . 732 . . 1 PHE HE1 . 19541 3 7 . 1 1 1 1 PHE HE2 H 1 7.328 0.0 . 3 . . 732 . . 1 PHE HE2 . 19541 3 8 . 1 1 1 1 PHE CA C 13 57.305 0.013 . 1 . . 522 . . 1 PHE CA . 19541 3 9 . 1 1 1 1 PHE CB C 13 39.734 0.044 . 1 . . 550 . . 1 PHE CB . 19541 3 10 . 1 1 1 1 PHE CD1 C 13 13.571 0.167 . 3 . . 734 . . 1 PHE CD1 . 19541 3 11 . 1 1 1 1 PHE CD2 C 13 13.571 0.167 . 3 . . 734 . . 1 PHE CD2 . 19541 3 12 . 1 1 1 1 PHE CE1 C 13 13.606 0.0 . 3 . . 733 . . 1 PHE CE1 . 19541 3 13 . 1 1 1 1 PHE CE2 C 13 13.606 0.0 . 3 . . 733 . . 1 PHE CE2 . 19541 3 14 . 1 1 2 2 GLN H H 1 8.217 0.004 . 1 . . 744 . . 2 GLN H . 19541 3 15 . 1 1 2 2 GLN HA H 1 4.332 0.004 . 1 . . 743 . . 2 GLN HA . 19541 3 16 . 1 1 2 2 GLN HB2 H 1 1.922 0.004 . 2 . . 748 . . 2 GLN HB2 . 19541 3 17 . 1 1 2 2 GLN HB3 H 1 2.048 0.001 . 2 . . 747 . . 2 GLN HB3 . 19541 3 18 . 1 1 2 2 GLN HG2 H 1 2.289 0.004 . 1 . . 746 . . 2 GLN HG2 . 19541 3 19 . 1 1 2 2 GLN HG3 H 1 2.289 0.004 . 1 . . 804 . . 2 GLN HG3 . 19541 3 20 . 1 1 2 2 GLN HE21 H 1 7.546 0.0 . 1 . . 751 . . 2 GLN HE21 . 19541 3 21 . 1 1 2 2 GLN HE22 H 1 6.897 0.003 . 1 . . 752 . . 2 GLN HE22 . 19541 3 22 . 1 1 2 2 GLN CA C 13 55.739 0.046 . 1 . . 745 . . 2 GLN CA . 19541 3 23 . 1 1 2 2 GLN CB C 13 29.591 0.04 . 1 . . 749 . . 2 GLN CB . 19541 3 24 . 1 1 2 2 GLN CG C 13 33.738 0.048 . 1 . . 750 . . 2 GLN CG . 19541 3 25 . 1 1 2 2 GLN NE2 N 15 111.917 . . 1 . . 877 . . 2 GLN NE2 . 19541 3 26 . 1 1 3 3 GLY H H 1 8.218 0.006 . 1 . . 549 . . 3 GLY H . 19541 3 27 . 1 1 3 3 GLY HA2 H 1 3.911 0.007 . 2 . . 546 . . 3 GLY HA2 . 19541 3 28 . 1 1 3 3 GLY HA3 H 1 3.932 0.028 . 2 . . 805 . . 3 GLY HA3 . 19541 3 29 . 1 1 3 3 GLY CA C 13 45.213 0.098 . 1 . . 547 . . 3 GLY CA . 19541 3 30 . 1 1 3 3 GLY N N 15 109.833 . . 1 . . 875 . . 3 GLY N . 19541 3 31 . 1 1 4 4 ALA H H 1 8.249 0.006 . 1 . . 541 . . 4 ALA H . 19541 3 32 . 1 1 4 4 ALA HA H 1 4.340 0.011 . 1 . . 543 . . 4 ALA HA . 19541 3 33 . 1 1 4 4 ALA HB1 H 1 1.337 0.016 . 1 . . 538 . . 4 ALA HB1 . 19541 3 34 . 1 1 4 4 ALA HB2 H 1 1.337 0.016 . 1 . . 538 . . 4 ALA HB2 . 19541 3 35 . 1 1 4 4 ALA HB3 H 1 1.337 0.016 . 1 . . 538 . . 4 ALA HB3 . 19541 3 36 . 1 1 4 4 ALA CA C 13 52.227 0.012 . 1 . . 544 . . 4 ALA CA . 19541 3 37 . 1 1 4 4 ALA CB C 13 19.611 0.009 . 1 . . 542 . . 4 ALA CB . 19541 3 38 . 1 1 4 4 ALA N N 15 122.593 . . 1 . . 874 . . 4 ALA N . 19541 3 39 . 1 1 5 5 MET H H 1 8.359 0.089 . 1 . . 876 . . 5 MET H . 19541 3 40 . 1 1 5 5 MET HA H 1 4.400 0.007 . 1 . . 238 . . 5 MET HA . 19541 3 41 . 1 1 5 5 MET HB2 H 1 2.043 0.02 . 2 . . 240 . . 5 MET HB2 . 19541 3 42 . 1 1 5 5 MET HB3 H 1 2.043 0.02 . 2 . . 473 . . 5 MET HB3 . 19541 3 43 . 1 1 5 5 MET HG2 H 1 2.542 0.008 . 1 . . 242 . . 5 MET HG2 . 19541 3 44 . 1 1 5 5 MET HG3 H 1 2.542 0.008 . 1 . . 474 . . 5 MET HG3 . 19541 3 45 . 1 1 5 5 MET HE1 H 1 2.022 0.059 . 1 . . 241 . . 5 MET HE1 . 19541 3 46 . 1 1 5 5 MET HE2 H 1 2.022 0.059 . 1 . . 241 . . 5 MET HE2 . 19541 3 47 . 1 1 5 5 MET HE3 H 1 2.022 0.059 . 1 . . 241 . . 5 MET HE3 . 19541 3 48 . 1 1 5 5 MET CA C 13 55.298 . . 1 . . 535 . . 5 MET CA . 19541 3 49 . 1 1 5 5 MET CB C 13 33.309 0.013 . 1 . . 537 . . 5 MET CB . 19541 3 50 . 1 1 5 5 MET CG C 13 32.074 0.011 . 1 . . 536 . . 5 MET CG . 19541 3 51 . 1 1 5 5 MET CE C 13 17.010 0.051 . 1 . . 539 . . 5 MET CE . 19541 3 52 . 1 1 5 5 MET N N 15 116.367 4.079 . 1 . . 450 . . 5 MET N . 19541 3 53 . 1 1 6 6 ALA H H 1 8.421 0.023 . 1 . . 237 . . 6 ALA H . 19541 3 54 . 1 1 6 6 ALA HA H 1 4.083 0.004 . 1 . . 736 . . 6 ALA HA . 19541 3 55 . 1 1 6 6 ALA HB1 H 1 1.405 0.003 . 1 . . 453 . . 6 ALA HB1 . 19541 3 56 . 1 1 6 6 ALA HB2 H 1 1.405 0.003 . 1 . . 453 . . 6 ALA HB2 . 19541 3 57 . 1 1 6 6 ALA HB3 H 1 1.405 0.003 . 1 . . 453 . . 6 ALA HB3 . 19541 3 58 . 1 1 6 6 ALA CA C 13 52.834 . . 1 . . 737 . . 6 ALA CA . 19541 3 59 . 1 1 6 6 ALA CB C 13 19.302 0.008 . 1 . . 735 . . 6 ALA CB . 19541 3 60 . 1 1 6 6 ALA N N 15 127.655 0.148 . 1 . . 239 . . 6 ALA N . 19541 3 61 . 1 1 7 7 MET H H 1 10.589 0.009 . 1 . . 739 . . 7 MET H . 19541 3 62 . 1 1 7 7 MET HG2 H 1 2.494 0.017 . 2 . . 738 . . 7 MET HG2 . 19541 3 63 . 1 1 7 7 MET HG3 H 1 2.491 0.011 . 2 . . 721 . . 7 MET HG3 . 19541 3 64 . 1 1 7 7 MET HE1 H 1 1.882 0.012 . 1 . . 720 . . 7 MET HE1 . 19541 3 65 . 1 1 7 7 MET HE2 H 1 1.882 0.012 . 1 . . 720 . . 7 MET HE2 . 19541 3 66 . 1 1 7 7 MET HE3 H 1 1.882 0.012 . 1 . . 720 . . 7 MET HE3 . 19541 3 67 . 1 1 7 7 MET CG C 13 32.400 0.0 . 1 . . 740 . . 7 MET CG . 19541 3 68 . 1 1 7 7 MET CE C 13 17.180 0.019 . 1 . . 731 . . 7 MET CE . 19541 3 69 . 1 1 7 7 MET N N 15 121.966 . . 1 . . 858 . . 7 MET N . 19541 3 70 . 1 1 8 8 PHE H H 1 9.600 0.016 . 1 . . 454 . . 8 PHE H . 19541 3 71 . 1 1 8 8 PHE HA H 1 4.082 0.015 . 1 . . 406 . . 8 PHE HA . 19541 3 72 . 1 1 8 8 PHE HB2 H 1 3.315 0.021 . 2 . . 405 . . 8 PHE HB2 . 19541 3 73 . 1 1 8 8 PHE HB3 H 1 2.923 0.02 . 2 . . 404 . . 8 PHE HB3 . 19541 3 74 . 1 1 8 8 PHE HD1 H 1 7.097 0.018 . 3 . . 4 . . 8 PHE HD1 . 19541 3 75 . 1 1 8 8 PHE HD2 H 1 7.097 0.018 . 3 . . 4 . . 8 PHE HD2 . 19541 3 76 . 1 1 8 8 PHE HE1 H 1 6.687 0.012 . 3 . . 728 . . 8 PHE HE1 . 19541 3 77 . 1 1 8 8 PHE HE2 H 1 6.687 0.012 . 3 . . 728 . . 8 PHE HE2 . 19541 3 78 . 1 1 8 8 PHE HZ H 1 5.838 0.013 . 1 . . 624 . . 8 PHE HZ . 19541 3 79 . 1 1 8 8 PHE CA C 13 61.484 . . 1 . . 820 . . 8 PHE CA . 19541 3 80 . 1 1 8 8 PHE CD1 C 13 131.293 0.002 . 3 . . 714 . . 8 PHE CD1 . 19541 3 81 . 1 1 8 8 PHE CD2 C 13 131.293 0.002 . 3 . . 714 . . 8 PHE CD2 . 19541 3 82 . 1 1 8 8 PHE CE1 C 13 131.295 0.0 . 3 . . 771 . . 8 PHE CE1 . 19541 3 83 . 1 1 8 8 PHE CE2 C 13 131.295 0.0 . 3 . . 771 . . 8 PHE CE2 . 19541 3 84 . 1 1 8 8 PHE CZ C 13 129.295 . . 1 . . 729 . . 8 PHE CZ . 19541 3 85 . 1 1 8 8 PHE N N 15 122.560 0.066 . 1 . . 455 . . 8 PHE N . 19541 3 86 . 1 1 9 9 TRP H H 1 6.607 0.019 . 1 . . 1 . . 9 TRP H . 19541 3 87 . 1 1 9 9 TRP HA H 1 3.845 0.011 . 1 . . 311 . . 9 TRP HA . 19541 3 88 . 1 1 9 9 TRP HB2 H 1 1.789 0.007 . 2 . . 402 . . 9 TRP HB2 . 19541 3 89 . 1 1 9 9 TRP HB3 H 1 2.506 0.012 . 2 . . 403 . . 9 TRP HB3 . 19541 3 90 . 1 1 9 9 TRP HD1 H 1 6.696 0.009 . 1 . . 309 . . 9 TRP HD1 . 19541 3 91 . 1 1 9 9 TRP HE1 H 1 8.949 0.01 . 1 . . 1147 . . 9 TRP HE1 . 19541 3 92 . 1 1 9 9 TRP HE3 H 1 6.726 0.017 . 1 . . 310 . . 9 TRP HE3 . 19541 3 93 . 1 1 9 9 TRP HZ2 H 1 6.879 0.015 . 1 . . 312 . . 9 TRP HZ2 . 19541 3 94 . 1 1 9 9 TRP HZ3 H 1 6.298 0.013 . 1 . . 447 . . 9 TRP HZ3 . 19541 3 95 . 1 1 9 9 TRP HH2 H 1 6.495 0.014 . 1 . . 471 . . 9 TRP HH2 . 19541 3 96 . 1 1 9 9 TRP CA C 13 57.144 . . 1 . . 680 . . 9 TRP CA . 19541 3 97 . 1 1 9 9 TRP CB C 13 32.683 . . 1 . . 710 . . 9 TRP CB . 19541 3 98 . 1 1 9 9 TRP CD1 C 13 126.067 0.0 . 1 . . 709 . . 9 TRP CD1 . 19541 3 99 . 1 1 9 9 TRP CE3 C 13 119.800 0.0 . 1 . . 712 . . 9 TRP CE3 . 19541 3 100 . 1 1 9 9 TRP CZ2 C 13 114.217 . . 1 . . 708 . . 9 TRP CZ2 . 19541 3 101 . 1 1 9 9 TRP CZ3 C 13 120.837 0.0 . 1 . . 768 . . 9 TRP CZ3 . 19541 3 102 . 1 1 9 9 TRP CH2 C 13 122.837 0.0 . 1 . . 711 . . 9 TRP CH2 . 19541 3 103 . 1 1 9 9 TRP N N 15 129.372 0.016 . 1 . . 3 . . 9 TRP N . 19541 3 104 . 1 1 9 9 TRP NE1 N 15 126.996 0.041 . 1 . . 1148 . . 9 TRP NE1 . 19541 3 105 . 1 1 10 10 GLY H H 1 6.454 0.021 . 1 . . 17 . . 10 GLY H . 19541 3 106 . 1 1 10 10 GLY HA2 H 1 4.018 0.002 . 2 . . 306 . . 10 GLY HA2 . 19541 3 107 . 1 1 10 10 GLY HA3 H 1 4.018 0.002 . 2 . . 475 . . 10 GLY HA3 . 19541 3 108 . 1 1 10 10 GLY N N 15 109.615 0.072 . 1 . . 308 . . 10 GLY N . 19541 3 109 . 1 1 11 11 LEU H H 1 8.532 0.023 . 1 . . 16 . . 11 LEU H . 19541 3 110 . 1 1 11 11 LEU HA H 1 4.297 0.009 . 1 . . 301 . . 11 LEU HA . 19541 3 111 . 1 1 11 11 LEU HD11 H 1 0.796 0.013 . 2 . . 302 . . 11 LEU HD11 . 19541 3 112 . 1 1 11 11 LEU HD12 H 1 0.796 0.013 . 2 . . 302 . . 11 LEU HD12 . 19541 3 113 . 1 1 11 11 LEU HD13 H 1 0.796 0.013 . 2 . . 302 . . 11 LEU HD13 . 19541 3 114 . 1 1 11 11 LEU HD21 H 1 0.661 0.013 . 2 . . 303 . . 11 LEU HD21 . 19541 3 115 . 1 1 11 11 LEU HD22 H 1 0.661 0.013 . 2 . . 303 . . 11 LEU HD22 . 19541 3 116 . 1 1 11 11 LEU HD23 H 1 0.661 0.013 . 2 . . 303 . . 11 LEU HD23 . 19541 3 117 . 1 1 11 11 LEU CA C 13 54.529 . . 1 . . 610 . . 11 LEU CA . 19541 3 118 . 1 1 11 11 LEU CD1 C 13 22.857 0.024 . 2 . . 609 . . 11 LEU CD1 . 19541 3 119 . 1 1 11 11 LEU CD2 C 13 25.474 0.023 . 2 . . 611 . . 11 LEU CD2 . 19541 3 120 . 1 1 11 11 LEU N N 15 120.822 0.115 . 1 . . 307 . . 11 LEU N . 19541 3 121 . 1 1 12 12 ASN H H 1 8.743 0.016 . 1 . . 10 . . 12 ASN H . 19541 3 122 . 1 1 12 12 ASN HA H 1 5.567 0.017 . 1 . . 14 . . 12 ASN HA . 19541 3 123 . 1 1 12 12 ASN HB2 H 1 2.681 0.013 . 2 . . 8 . . 12 ASN HB2 . 19541 3 124 . 1 1 12 12 ASN HB3 H 1 2.559 0.014 . 2 . . 6 . . 12 ASN HB3 . 19541 3 125 . 1 1 12 12 ASN HD21 H 1 7.210 0.019 . 1 . . 5 . . 12 ASN HD21 . 19541 3 126 . 1 1 12 12 ASN HD22 H 1 6.316 0.017 . 1 . . 9 . . 12 ASN HD22 . 19541 3 127 . 1 1 12 12 ASN CA C 13 52.529 . . 1 . . 681 . . 12 ASN CA . 19541 3 128 . 1 1 12 12 ASN CB C 13 38.682 . . 1 . . 730 . . 12 ASN CB . 19541 3 129 . 1 1 12 12 ASN N N 15 126.670 0.154 . 1 . . 11 . . 12 ASN N . 19541 3 130 . 1 1 12 12 ASN ND2 N 15 112.892 0.205 . 1 . . 7 . . 12 ASN ND2 . 19541 3 131 . 1 1 13 13 MET H H 1 8.878 0.022 . 1 . . 12 . . 13 MET H . 19541 3 132 . 1 1 13 13 MET HA H 1 4.467 0.015 . 1 . . 22 . . 13 MET HA . 19541 3 133 . 1 1 13 13 MET HE1 H 1 2.059 0.012 . 1 . . 398 . . 13 MET HE1 . 19541 3 134 . 1 1 13 13 MET HE2 H 1 2.059 0.012 . 1 . . 398 . . 13 MET HE2 . 19541 3 135 . 1 1 13 13 MET HE3 H 1 2.059 0.012 . 1 . . 398 . . 13 MET HE3 . 19541 3 136 . 1 1 13 13 MET CA C 13 54.884 . . 1 . . 824 . . 13 MET CA . 19541 3 137 . 1 1 13 13 MET CE C 13 17.132 0.071 . 1 . . 540 . . 13 MET CE . 19541 3 138 . 1 1 13 13 MET N N 15 120.036 0.143 . 1 . . 13 . . 13 MET N . 19541 3 139 . 1 1 14 14 LYS H H 1 8.721 0.014 . 1 . . 20 . . 14 LYS H . 19541 3 140 . 1 1 14 14 LYS HA H 1 4.770 . . 1 . . 845 . . 14 LYS HA . 19541 3 141 . 1 1 14 14 LYS CA C 13 53.284 . . 1 . . 846 . . 14 LYS CA . 19541 3 142 . 1 1 14 14 LYS N N 15 125.231 0.058 . 1 . . 21 . . 14 LYS N . 19541 3 143 . 1 1 15 15 PRO HA H 1 4.694 0.006 . 1 . . 798 . . 15 PRO HA . 19541 3 144 . 1 1 15 15 PRO HB2 H 1 1.957 0.005 . 2 . . 801 . . 15 PRO HB2 . 19541 3 145 . 1 1 15 15 PRO HB3 H 1 2.334 0.005 . 2 . . 799 . . 15 PRO HB3 . 19541 3 146 . 1 1 15 15 PRO HG2 H 1 1.787 0.007 . 2 . . 797 . . 15 PRO HG2 . 19541 3 147 . 1 1 15 15 PRO HG3 H 1 1.944 0.007 . 2 . . 793 . . 15 PRO HG3 . 19541 3 148 . 1 1 15 15 PRO HD2 H 1 3.552 0.021 . 2 . . 795 . . 15 PRO HD2 . 19541 3 149 . 1 1 15 15 PRO HD3 H 1 3.612 0.018 . 2 . . 792 . . 15 PRO HD3 . 19541 3 150 . 1 1 15 15 PRO CA C 13 63.384 0.0 . 1 . . 840 . . 15 PRO CA . 19541 3 151 . 1 1 15 15 PRO CB C 13 32.399 0.002 . 1 . . 800 . . 15 PRO CB . 19541 3 152 . 1 1 15 15 PRO CG C 13 27.630 0.001 . 1 . . 796 . . 15 PRO CG . 19541 3 153 . 1 1 15 15 PRO CD C 13 50.400 . . 1 . . 794 . . 15 PRO CD . 19541 3 154 . 1 1 16 16 GLU H H 1 8.355 0.019 . 1 . . 407 . . 16 GLU H . 19541 3 155 . 1 1 16 16 GLU HA H 1 4.217 0.005 . 1 . . 409 . . 16 GLU HA . 19541 3 156 . 1 1 16 16 GLU HB2 H 1 2.240 0.003 . 2 . . 410 . . 16 GLU HB2 . 19541 3 157 . 1 1 16 16 GLU HB3 H 1 2.457 0.012 . 2 . . 476 . . 16 GLU HB3 . 19541 3 158 . 1 1 16 16 GLU HG2 H 1 2.407 0.016 . 2 . . 443 . . 16 GLU HG2 . 19541 3 159 . 1 1 16 16 GLU HG3 H 1 2.479 0.012 . 2 . . 391 . . 16 GLU HG3 . 19541 3 160 . 1 1 16 16 GLU CA C 13 58.990 0.0 . 1 . . 683 . . 16 GLU CA . 19541 3 161 . 1 1 16 16 GLU CB C 13 27.310 0.012 . 1 . . 628 . . 16 GLU CB . 19541 3 162 . 1 1 16 16 GLU CG C 13 36.644 0.058 . 1 . . 682 . . 16 GLU CG . 19541 3 163 . 1 1 16 16 GLU N N 15 114.596 0.089 . 1 . . 408 . . 16 GLU N . 19541 3 164 . 1 1 17 17 ARG H H 1 7.834 0.013 . 1 . . 205 . . 17 ARG H . 19541 3 165 . 1 1 17 17 ARG HA H 1 4.291 0.007 . 1 . . 441 . . 17 ARG HA . 19541 3 166 . 1 1 17 17 ARG HB2 H 1 1.601 0.006 . 2 . . 444 . . 17 ARG HB2 . 19541 3 167 . 1 1 17 17 ARG HB3 H 1 1.750 0.005 . 2 . . 286 . . 17 ARG HB3 . 19541 3 168 . 1 1 17 17 ARG HG2 H 1 1.467 0.004 . 2 . . 445 . . 17 ARG HG2 . 19541 3 169 . 1 1 17 17 ARG HG3 H 1 1.198 0.006 . 2 . . 446 . . 17 ARG HG3 . 19541 3 170 . 1 1 17 17 ARG HD2 H 1 3.078 0.004 . 2 . . 442 . . 17 ARG HD2 . 19541 3 171 . 1 1 17 17 ARG HD3 H 1 3.078 0.004 . 2 . . 477 . . 17 ARG HD3 . 19541 3 172 . 1 1 17 17 ARG HE H 1 6.696 0.011 . 1 . . 1093 . . 17 ARG HE . 19541 3 173 . 1 1 17 17 ARG CA C 13 55.604 . . 1 . . 829 . . 17 ARG CA . 19541 3 174 . 1 1 17 17 ARG CB C 13 31.261 0.05 . 1 . . 705 . . 17 ARG CB . 19541 3 175 . 1 1 17 17 ARG CG C 13 26.857 0.023 . 1 . . 666 . . 17 ARG CG . 19541 3 176 . 1 1 17 17 ARG CD C 13 43.007 0.015 . 1 . . 704 . . 17 ARG CD . 19541 3 177 . 1 1 17 17 ARG N N 15 120.515 0.013 . 1 . . 206 . . 17 ARG N . 19541 3 178 . 1 1 17 17 ARG NE N 15 123.205 . . 1 . . 1094 . . 17 ARG NE . 19541 3 179 . 1 1 18 18 LYS H H 1 8.470 0.022 . 1 . . 210 . . 18 LYS H . 19541 3 180 . 1 1 18 18 LYS HA H 1 4.649 0.005 . 1 . . 413 . . 18 LYS HA . 19541 3 181 . 1 1 18 18 LYS HG2 H 1 1.156 0.008 . 2 . . 438 . . 18 LYS HG2 . 19541 3 182 . 1 1 18 18 LYS HG3 H 1 1.322 0.01 . 2 . . 440 . . 18 LYS HG3 . 19541 3 183 . 1 1 18 18 LYS HD2 H 1 1.316 0.004 . 1 . . 437 . . 18 LYS HD2 . 19541 3 184 . 1 1 18 18 LYS HD3 H 1 1.316 0.004 . 1 . . 478 . . 18 LYS HD3 . 19541 3 185 . 1 1 18 18 LYS HE2 H 1 2.252 0.008 . 2 . . 439 . . 18 LYS HE2 . 19541 3 186 . 1 1 18 18 LYS HE3 H 1 2.415 0.007 . 2 . . 479 . . 18 LYS HE3 . 19541 3 187 . 1 1 18 18 LYS CG C 13 25.315 0.023 . 1 . . 703 . . 18 LYS CG . 19541 3 188 . 1 1 18 18 LYS CD C 13 28.634 0.055 . 1 . . 698 . . 18 LYS CD . 19541 3 189 . 1 1 18 18 LYS CE C 13 41.872 0.054 . 1 . . 702 . . 18 LYS CE . 19541 3 190 . 1 1 18 18 LYS N N 15 120.788 0.027 . 1 . . 211 . . 18 LYS N . 19541 3 191 . 1 1 19 19 TYR H H 1 9.256 0.023 . 1 . . 411 . . 19 TYR H . 19541 3 192 . 1 1 19 19 TYR HA H 1 4.783 0.014 . 1 . . 469 . . 19 TYR HA . 19541 3 193 . 1 1 19 19 TYR HB2 H 1 2.954 0.008 . 2 . . 835 . . 19 TYR HB2 . 19541 3 194 . 1 1 19 19 TYR HB3 H 1 3.247 0.019 . 2 . . 854 . . 19 TYR HB3 . 19541 3 195 . 1 1 19 19 TYR HD1 H 1 7.403 0.015 . 3 . . 143 . . 19 TYR HD1 . 19541 3 196 . 1 1 19 19 TYR HD2 H 1 7.403 0.015 . 3 . . 143 . . 19 TYR HD2 . 19541 3 197 . 1 1 19 19 TYR HE1 H 1 7.114 0.011 . 3 . . 19 . . 19 TYR HE1 . 19541 3 198 . 1 1 19 19 TYR HE2 H 1 7.114 0.011 . 3 . . 19 . . 19 TYR HE2 . 19541 3 199 . 1 1 19 19 TYR CA C 13 57.484 . . 1 . . 834 . . 19 TYR CA . 19541 3 200 . 1 1 19 19 TYR CD1 C 13 134.831 . . 3 . . 700 . . 19 TYR CD1 . 19541 3 201 . 1 1 19 19 TYR CD2 C 13 134.831 . . 3 . . 700 . . 19 TYR CD2 . 19541 3 202 . 1 1 19 19 TYR CE1 C 13 118.065 0.0 . 3 . . 701 . . 19 TYR CE1 . 19541 3 203 . 1 1 19 19 TYR CE2 C 13 118.065 0.0 . 3 . . 701 . . 19 TYR CE2 . 19541 3 204 . 1 1 19 19 TYR N N 15 123.149 0.044 . 1 . . 412 . . 19 TYR N . 19541 3 205 . 1 1 20 20 SER H H 1 8.949 0.016 . 1 . . 142 . . 20 SER H . 19541 3 206 . 1 1 20 20 SER HA H 1 4.640 0.015 . 1 . . 377 . . 20 SER HA . 19541 3 207 . 1 1 20 20 SER HB2 H 1 3.840 0.009 . 2 . . 145 . . 20 SER HB2 . 19541 3 208 . 1 1 20 20 SER HB3 H 1 3.840 0.009 . 2 . . 480 . . 20 SER HB3 . 19541 3 209 . 1 1 20 20 SER CA C 13 58.684 0.0 . 1 . . 764 . . 20 SER CA . 19541 3 210 . 1 1 20 20 SER CB C 13 63.298 0.0 . 1 . . 526 . . 20 SER CB . 19541 3 211 . 1 1 20 20 SER N N 15 122.455 0.091 . 1 . . 144 . . 20 SER N . 19541 3 212 . 1 1 21 21 GLN H H 1 8.432 0.023 . 1 . . 146 . . 21 GLN H . 19541 3 213 . 1 1 21 21 GLN HA H 1 4.609 0.007 . 1 . . 137 . . 21 GLN HA . 19541 3 214 . 1 1 21 21 GLN HB2 H 1 2.019 0.003 . 1 . . 152 . . 21 GLN HB2 . 19541 3 215 . 1 1 21 21 GLN HB3 H 1 2.019 0.003 . 1 . . 481 . . 21 GLN HB3 . 19541 3 216 . 1 1 21 21 GLN HG2 H 1 2.193 0.006 . 2 . . 465 . . 21 GLN HG2 . 19541 3 217 . 1 1 21 21 GLN HG3 H 1 2.031 0.008 . 2 . . 151 . . 21 GLN HG3 . 19541 3 218 . 1 1 21 21 GLN HE21 H 1 6.937 0.02 . 1 . . 462 . . 21 GLN HE21 . 19541 3 219 . 1 1 21 21 GLN HE22 H 1 6.583 0.023 . 1 . . 463 . . 21 GLN HE22 . 19541 3 220 . 1 1 21 21 GLN CA C 13 54.529 . . 1 . . 684 . . 21 GLN CA . 19541 3 221 . 1 1 21 21 GLN CG C 13 34.401 . . 1 . . 851 . . 21 GLN CG . 19541 3 222 . 1 1 21 21 GLN N N 15 122.767 0.086 . 1 . . 150 . . 21 GLN N . 19541 3 223 . 1 1 21 21 GLN NE2 N 15 110.914 0.438 . 1 . . 464 . . 21 GLN NE2 . 19541 3 224 . 1 1 22 22 THR H H 1 8.932 0.025 . 1 . . 133 . . 22 THR H . 19541 3 225 . 1 1 22 22 THR HA H 1 4.415 0.013 . 1 . . 138 . . 22 THR HA . 19541 3 226 . 1 1 22 22 THR HB H 1 4.080 0.01 . 1 . . 136 . . 22 THR HB . 19541 3 227 . 1 1 22 22 THR HG21 H 1 1.167 0.004 . 1 . . 134 . . 22 THR HG21 . 19541 3 228 . 1 1 22 22 THR HG22 H 1 1.167 0.004 . 1 . . 134 . . 22 THR HG22 . 19541 3 229 . 1 1 22 22 THR HG23 H 1 1.167 0.004 . 1 . . 134 . . 22 THR HG23 . 19541 3 230 . 1 1 22 22 THR CA C 13 62.528 . . 1 . . 525 . . 22 THR CA . 19541 3 231 . 1 1 22 22 THR CB C 13 68.854 0.0 . 1 . . 685 . . 22 THR CB . 19541 3 232 . 1 1 22 22 THR CG2 C 13 21.779 0.024 . 1 . . 686 . . 22 THR CG2 . 19541 3 233 . 1 1 22 22 THR N N 15 122.565 0.043 . 1 . . 135 . . 22 THR N . 19541 3 234 . 1 1 23 23 ILE H H 1 8.830 0.011 . 1 . . 139 . . 23 ILE H . 19541 3 235 . 1 1 23 23 ILE HA H 1 4.015 0.006 . 1 . . 141 . . 23 ILE HA . 19541 3 236 . 1 1 23 23 ILE HB H 1 1.947 0.008 . 1 . . 418 . . 23 ILE HB . 19541 3 237 . 1 1 23 23 ILE HG21 H 1 0.713 0.004 . 1 . . 417 . . 23 ILE HG21 . 19541 3 238 . 1 1 23 23 ILE HG22 H 1 0.713 0.004 . 1 . . 417 . . 23 ILE HG22 . 19541 3 239 . 1 1 23 23 ILE HG23 H 1 0.713 0.004 . 1 . . 417 . . 23 ILE HG23 . 19541 3 240 . 1 1 23 23 ILE HD11 H 1 0.889 0.006 . 1 . . 260 . . 23 ILE HD11 . 19541 3 241 . 1 1 23 23 ILE HD12 H 1 0.889 0.006 . 1 . . 260 . . 23 ILE HD12 . 19541 3 242 . 1 1 23 23 ILE HD13 H 1 0.889 0.006 . 1 . . 260 . . 23 ILE HD13 . 19541 3 243 . 1 1 23 23 ILE CA C 13 62.375 . . 1 . . 690 . . 23 ILE CA . 19541 3 244 . 1 1 23 23 ILE CB C 13 38.246 0.019 . 1 . . 692 . . 23 ILE CB . 19541 3 245 . 1 1 23 23 ILE CG2 C 13 17.780 0.022 . 1 . . 534 . . 23 ILE CG2 . 19541 3 246 . 1 1 23 23 ILE CD1 C 13 13.546 0.1 . 1 . . 691 . . 23 ILE CD1 . 19541 3 247 . 1 1 23 23 ILE N N 15 128.042 0.031 . 1 . . 140 . . 23 ILE N . 19541 3 248 . 1 1 24 24 ILE H H 1 8.441 0.012 . 1 . . 183 . . 24 ILE H . 19541 3 249 . 1 1 24 24 ILE HA H 1 4.277 0.003 . 1 . . 184 . . 24 ILE HA . 19541 3 250 . 1 1 24 24 ILE HB H 1 1.974 0.006 . 1 . . 414 . . 24 ILE HB . 19541 3 251 . 1 1 24 24 ILE HG12 H 1 1.477 0.012 . 2 . . 415 . . 24 ILE HG12 . 19541 3 252 . 1 1 24 24 ILE HG13 H 1 1.251 0.008 . 2 . . 422 . . 24 ILE HG13 . 19541 3 253 . 1 1 24 24 ILE HG21 H 1 0.965 0.012 . 1 . . 416 . . 24 ILE HG21 . 19541 3 254 . 1 1 24 24 ILE HG22 H 1 0.965 0.012 . 1 . . 416 . . 24 ILE HG22 . 19541 3 255 . 1 1 24 24 ILE HG23 H 1 0.965 0.012 . 1 . . 416 . . 24 ILE HG23 . 19541 3 256 . 1 1 24 24 ILE HD11 H 1 0.883 0.01 . 1 . . 259 . . 24 ILE HD11 . 19541 3 257 . 1 1 24 24 ILE HD12 H 1 0.883 0.01 . 1 . . 259 . . 24 ILE HD12 . 19541 3 258 . 1 1 24 24 ILE HD13 H 1 0.883 0.01 . 1 . . 259 . . 24 ILE HD13 . 19541 3 259 . 1 1 24 24 ILE CA C 13 61.759 . . 1 . . 688 . . 24 ILE CA . 19541 3 260 . 1 1 24 24 ILE CB C 13 38.706 0.026 . 1 . . 687 . . 24 ILE CB . 19541 3 261 . 1 1 24 24 ILE CG1 C 13 27.087 0.134 . 1 . . 689 . . 24 ILE CG1 . 19541 3 262 . 1 1 24 24 ILE CG2 C 13 17.930 0.023 . 1 . . 533 . . 24 ILE CG2 . 19541 3 263 . 1 1 24 24 ILE CD1 C 13 12.701 0.024 . 1 . . 576 . . 24 ILE CD1 . 19541 3 264 . 1 1 24 24 ILE N N 15 125.423 0.058 . 1 . . 185 . . 24 ILE N . 19541 3 265 . 1 1 25 25 LYS H H 1 7.739 0.014 . 1 . . 235 . . 25 LYS H . 19541 3 266 . 1 1 25 25 LYS HA H 1 4.606 0.005 . 1 . . 419 . . 25 LYS HA . 19541 3 267 . 1 1 25 25 LYS HB2 H 1 1.746 0.009 . 2 . . 420 . . 25 LYS HB2 . 19541 3 268 . 1 1 25 25 LYS HB3 H 1 2.018 0.007 . 2 . . 427 . . 25 LYS HB3 . 19541 3 269 . 1 1 25 25 LYS HG2 H 1 1.550 0.009 . 1 . . 421 . . 25 LYS HG2 . 19541 3 270 . 1 1 25 25 LYS HG3 H 1 1.550 0.009 . 1 . . 483 . . 25 LYS HG3 . 19541 3 271 . 1 1 25 25 LYS HD2 H 1 1.825 0.007 . 1 . . 762 . . 25 LYS HD2 . 19541 3 272 . 1 1 25 25 LYS HD3 H 1 1.825 0.007 . 1 . . 806 . . 25 LYS HD3 . 19541 3 273 . 1 1 25 25 LYS HE2 H 1 3.042 0.009 . 2 . . 423 . . 25 LYS HE2 . 19541 3 274 . 1 1 25 25 LYS HE3 H 1 3.042 0.009 . 2 . . 482 . . 25 LYS HE3 . 19541 3 275 . 1 1 25 25 LYS CA C 13 54.684 . . 1 . . 759 . . 25 LYS CA . 19541 3 276 . 1 1 25 25 LYS CB C 13 35.158 0.013 . 1 . . 760 . . 25 LYS CB . 19541 3 277 . 1 1 25 25 LYS CG C 13 24.997 0.011 . 1 . . 761 . . 25 LYS CG . 19541 3 278 . 1 1 25 25 LYS CD C 13 29.311 0.013 . 1 . . 763 . . 25 LYS CD . 19541 3 279 . 1 1 25 25 LYS N N 15 119.742 0.028 . 1 . . 236 . . 25 LYS N . 19541 3 280 . 1 1 26 26 SER H H 1 8.683 0.015 . 1 . . 232 . . 26 SER H . 19541 3 281 . 1 1 26 26 SER HA H 1 4.614 0.017 . 1 . . 425 . . 26 SER HA . 19541 3 282 . 1 1 26 26 SER HB2 H 1 4.031 0.012 . 1 . . 426 . . 26 SER HB2 . 19541 3 283 . 1 1 26 26 SER HB3 H 1 4.031 0.012 . 1 . . 484 . . 26 SER HB3 . 19541 3 284 . 1 1 26 26 SER CA C 13 59.144 . . 1 . . 831 . . 26 SER CA . 19541 3 285 . 1 1 26 26 SER CB C 13 63.449 . . 1 . . 527 . . 26 SER CB . 19541 3 286 . 1 1 26 26 SER N N 15 117.378 0.012 . 1 . . 424 . . 26 SER N . 19541 3 287 . 1 1 27 27 PHE H H 1 8.461 0.019 . 1 . . 231 . . 27 PHE H . 19541 3 288 . 1 1 27 27 PHE HA H 1 4.847 0.006 . 1 . . 852 . . 27 PHE HA . 19541 3 289 . 1 1 27 27 PHE HB2 H 1 2.239 0.016 . 2 . . 449 . . 27 PHE HB2 . 19541 3 290 . 1 1 27 27 PHE HB3 H 1 2.776 0.006 . 2 . . 448 . . 27 PHE HB3 . 19541 3 291 . 1 1 27 27 PHE HD1 H 1 6.308 0.014 . 3 . . 318 . . 27 PHE HD1 . 19541 3 292 . 1 1 27 27 PHE HD2 H 1 6.308 0.014 . 3 . . 318 . . 27 PHE HD2 . 19541 3 293 . 1 1 27 27 PHE HE1 H 1 6.163 0.013 . 3 . . 451 . . 27 PHE HE1 . 19541 3 294 . 1 1 27 27 PHE HE2 H 1 6.163 0.013 . 3 . . 451 . . 27 PHE HE2 . 19541 3 295 . 1 1 27 27 PHE HZ H 1 6.377 0.016 . 1 . . 452 . . 27 PHE HZ . 19541 3 296 . 1 1 27 27 PHE CA C 13 56.084 . . 1 . . 853 . . 27 PHE CA . 19541 3 297 . 1 1 27 27 PHE CD1 C 13 130.991 . . 3 . . 723 . . 27 PHE CD1 . 19541 3 298 . 1 1 27 27 PHE CD2 C 13 130.991 . . 3 . . 723 . . 27 PHE CD2 . 19541 3 299 . 1 1 27 27 PHE CE1 C 13 130.371 . . 3 . . 724 . . 27 PHE CE1 . 19541 3 300 . 1 1 27 27 PHE CE2 C 13 130.371 . . 3 . . 724 . . 27 PHE CE2 . 19541 3 301 . 1 1 27 27 PHE CZ C 13 127.296 0.0 . 1 . . 725 . . 27 PHE CZ . 19541 3 302 . 1 1 27 27 PHE N N 15 118.904 0.079 . 1 . . 233 . . 27 PHE N . 19541 3 303 . 1 1 28 28 HIS H H 1 8.761 0.025 . 1 . . 317 . . 28 HIS H . 19541 3 304 . 1 1 28 28 HIS HD2 H 1 6.312 0.02 . 1 . . 1104 . . 28 HIS HD2 . 19541 3 305 . 1 1 28 28 HIS HE1 H 1 9.172 0.019 . 1 . . 1107 . . 28 HIS HE1 . 19541 3 306 . 1 1 28 28 HIS N N 15 118.488 0.115 . 1 . . 319 . . 28 HIS N . 19541 3 307 . 1 1 29 29 ILE H H 1 8.193 0.023 . 1 . . 428 . . 29 ILE H . 19541 3 308 . 1 1 29 29 ILE HA H 1 4.048 0.008 . 1 . . 430 . . 29 ILE HA . 19541 3 309 . 1 1 29 29 ILE HB H 1 1.385 0.012 . 1 . . 813 . . 29 ILE HB . 19541 3 310 . 1 1 29 29 ILE HG12 H 1 0.678 0.003 . 2 . . 787 . . 29 ILE HG12 . 19541 3 311 . 1 1 29 29 ILE HG13 H 1 1.095 0.003 . 2 . . 857 . . 29 ILE HG13 . 19541 3 312 . 1 1 29 29 ILE HG21 H 1 0.771 0.013 . 1 . . 431 . . 29 ILE HG21 . 19541 3 313 . 1 1 29 29 ILE HG22 H 1 0.771 0.013 . 1 . . 431 . . 29 ILE HG22 . 19541 3 314 . 1 1 29 29 ILE HG23 H 1 0.771 0.013 . 1 . . 431 . . 29 ILE HG23 . 19541 3 315 . 1 1 29 29 ILE HD11 H 1 0.495 0.009 . 1 . . 432 . . 29 ILE HD11 . 19541 3 316 . 1 1 29 29 ILE HD12 H 1 0.495 0.009 . 1 . . 432 . . 29 ILE HD12 . 19541 3 317 . 1 1 29 29 ILE HD13 H 1 0.495 0.009 . 1 . . 432 . . 29 ILE HD13 . 19541 3 318 . 1 1 29 29 ILE CB C 13 39.325 . . 1 . . 839 . . 29 ILE CB . 19541 3 319 . 1 1 29 29 ILE CG1 C 13 27.076 0.076 . 1 . . 788 . . 29 ILE CG1 . 19541 3 320 . 1 1 29 29 ILE CG2 C 13 18.401 0.019 . 1 . . 693 . . 29 ILE CG2 . 19541 3 321 . 1 1 29 29 ILE CD1 C 13 14.398 0.023 . 1 . . 695 . . 29 ILE CD1 . 19541 3 322 . 1 1 29 29 ILE N N 15 123.863 0.063 . 1 . . 429 . . 29 ILE N . 19541 3 323 . 1 1 30 30 SER H H 1 9.627 0.018 . 1 . . 43 . . 30 SER H . 19541 3 324 . 1 1 30 30 SER HA H 1 5.306 0.018 . 1 . . 436 . . 30 SER HA . 19541 3 325 . 1 1 30 30 SER HB2 H 1 4.065 0.015 . 2 . . 433 . . 30 SER HB2 . 19541 3 326 . 1 1 30 30 SER HB3 H 1 4.152 0.017 . 2 . . 456 . . 30 SER HB3 . 19541 3 327 . 1 1 30 30 SER CA C 13 56.834 . . 1 . . 790 . . 30 SER CA . 19541 3 328 . 1 1 30 30 SER CB C 13 67.284 . . 1 . . 741 . . 30 SER CB . 19541 3 329 . 1 1 30 30 SER N N 15 118.643 0.099 . 1 . . 44 . . 30 SER N . 19541 3 330 . 1 1 31 31 GLY H H 1 8.023 0.014 . 1 . . 41 . . 31 GLY H . 19541 3 331 . 1 1 31 31 GLY HA2 H 1 4.633 0.007 . 2 . . 457 . . 31 GLY HA2 . 19541 3 332 . 1 1 31 31 GLY HA3 H 1 4.184 0.019 . 2 . . 114 . . 31 GLY HA3 . 19541 3 333 . 1 1 31 31 GLY CA C 13 46.682 . . 1 . . 767 . . 31 GLY CA . 19541 3 334 . 1 1 31 31 GLY N N 15 111.151 0.002 . 1 . . 435 . . 31 GLY N . 19541 3 335 . 1 1 32 32 VAL H H 1 8.235 0.012 . 1 . . 40 . . 32 VAL H . 19541 3 336 . 1 1 32 32 VAL HA H 1 5.467 0.016 . 1 . . 39 . . 32 VAL HA . 19541 3 337 . 1 1 32 32 VAL HB H 1 1.757 0.006 . 1 . . 118 . . 32 VAL HB . 19541 3 338 . 1 1 32 32 VAL HG11 H 1 0.741 0.006 . 2 . . 117 . . 32 VAL HG11 . 19541 3 339 . 1 1 32 32 VAL HG12 H 1 0.741 0.006 . 2 . . 117 . . 32 VAL HG12 . 19541 3 340 . 1 1 32 32 VAL HG13 H 1 0.741 0.006 . 2 . . 117 . . 32 VAL HG13 . 19541 3 341 . 1 1 32 32 VAL HG21 H 1 0.700 0.013 . 2 . . 116 . . 32 VAL HG21 . 19541 3 342 . 1 1 32 32 VAL HG22 H 1 0.700 0.013 . 2 . . 116 . . 32 VAL HG22 . 19541 3 343 . 1 1 32 32 VAL HG23 H 1 0.700 0.013 . 2 . . 116 . . 32 VAL HG23 . 19541 3 344 . 1 1 32 32 VAL CA C 13 58.273 0.015 . 1 . . 818 . . 32 VAL CA . 19541 3 345 . 1 1 32 32 VAL CB C 13 34.290 0.06 . 1 . . 766 . . 32 VAL CB . 19541 3 346 . 1 1 32 32 VAL CG1 C 13 21.569 0.053 . 2 . . 607 . . 32 VAL CG1 . 19541 3 347 . 1 1 32 32 VAL CG2 C 13 19.166 0.023 . 2 . . 696 . . 32 VAL CG2 . 19541 3 348 . 1 1 32 32 VAL N N 15 117.125 . . 1 . . 42 . . 32 VAL N . 19541 3 349 . 1 1 33 33 ALA H H 1 8.439 0.016 . 1 . . 30 . . 33 ALA H . 19541 3 350 . 1 1 33 33 ALA HA H 1 5.186 0.008 . 1 . . 91 . . 33 ALA HA . 19541 3 351 . 1 1 33 33 ALA HB1 H 1 1.362 0.007 . 1 . . 92 . . 33 ALA HB1 . 19541 3 352 . 1 1 33 33 ALA HB2 H 1 1.362 0.007 . 1 . . 92 . . 33 ALA HB2 . 19541 3 353 . 1 1 33 33 ALA HB3 H 1 1.362 0.007 . 1 . . 92 . . 33 ALA HB3 . 19541 3 354 . 1 1 33 33 ALA CA C 13 51.298 . . 1 . . 697 . . 33 ALA CA . 19541 3 355 . 1 1 33 33 ALA CB C 13 23.553 0.102 . 1 . . 567 . . 33 ALA CB . 19541 3 356 . 1 1 33 33 ALA N N 15 127.801 0.0 . 1 . . 38 . . 33 ALA N . 19541 3 357 . 1 1 34 34 LEU H H 1 8.955 0.025 . 1 . . 37 . . 34 LEU H . 19541 3 358 . 1 1 34 34 LEU HA H 1 4.382 0.015 . 1 . . 103 . . 34 LEU HA . 19541 3 359 . 1 1 34 34 LEU HB2 H 1 1.650 0.009 . 2 . . 106 . . 34 LEU HB2 . 19541 3 360 . 1 1 34 34 LEU HB3 H 1 1.335 0.009 . 2 . . 89 . . 34 LEU HB3 . 19541 3 361 . 1 1 34 34 LEU HG H 1 1.290 0.009 . 1 . . 107 . . 34 LEU HG . 19541 3 362 . 1 1 34 34 LEU HD11 H 1 0.424 0.008 . 2 . . 109 . . 34 LEU HD11 . 19541 3 363 . 1 1 34 34 LEU HD12 H 1 0.424 0.008 . 2 . . 109 . . 34 LEU HD12 . 19541 3 364 . 1 1 34 34 LEU HD13 H 1 0.424 0.008 . 2 . . 109 . . 34 LEU HD13 . 19541 3 365 . 1 1 34 34 LEU HD21 H 1 0.344 0.014 . 2 . . 397 . . 34 LEU HD21 . 19541 3 366 . 1 1 34 34 LEU HD22 H 1 0.344 0.014 . 2 . . 397 . . 34 LEU HD22 . 19541 3 367 . 1 1 34 34 LEU HD23 H 1 0.344 0.014 . 2 . . 397 . . 34 LEU HD23 . 19541 3 368 . 1 1 34 34 LEU CA C 13 55.452 . . 1 . . 608 . . 34 LEU CA . 19541 3 369 . 1 1 34 34 LEU CB C 13 44.953 0.056 . 1 . . 649 . . 34 LEU CB . 19541 3 370 . 1 1 34 34 LEU CG C 13 27.015 0.022 . 1 . . 648 . . 34 LEU CG . 19541 3 371 . 1 1 34 34 LEU CD1 C 13 25.374 0.097 . 2 . . 552 . . 34 LEU CD1 . 19541 3 372 . 1 1 34 34 LEU CD2 C 13 25.329 0.021 . 2 . . 742 . . 34 LEU CD2 . 19541 3 373 . 1 1 34 34 LEU N N 15 120.249 . . 1 . . 90 . . 34 LEU N . 19541 3 374 . 1 1 35 35 ASP H H 1 8.946 0.017 . 1 . . 50 . . 35 ASP H . 19541 3 375 . 1 1 35 35 ASP HA H 1 4.631 0.008 . 1 . . 258 . . 35 ASP HA . 19541 3 376 . 1 1 35 35 ASP HB2 H 1 2.861 0.012 . 2 . . 104 . . 35 ASP HB2 . 19541 3 377 . 1 1 35 35 ASP HB3 H 1 2.507 0.005 . 2 . . 105 . . 35 ASP HB3 . 19541 3 378 . 1 1 35 35 ASP CB C 13 41.452 0.0 . 1 . . 573 . . 35 ASP CB . 19541 3 379 . 1 1 35 35 ASP N N 15 124.701 0.049 . 1 . . 51 . . 35 ASP N . 19541 3 380 . 1 1 36 36 LYS H H 1 7.434 0.015 . 1 . . 52 . . 36 LYS H . 19541 3 381 . 1 1 36 36 LYS HA H 1 4.621 0.007 . 1 . . 257 . . 36 LYS HA . 19541 3 382 . 1 1 36 36 LYS HB2 H 1 1.727 0.004 . 2 . . 254 . . 36 LYS HB2 . 19541 3 383 . 1 1 36 36 LYS HB3 H 1 1.849 0.005 . 2 . . 255 . . 36 LYS HB3 . 19541 3 384 . 1 1 36 36 LYS HG2 H 1 1.368 0.005 . 2 . . 252 . . 36 LYS HG2 . 19541 3 385 . 1 1 36 36 LYS HG3 H 1 1.368 0.005 . 2 . . 487 . . 36 LYS HG3 . 19541 3 386 . 1 1 36 36 LYS HD2 H 1 1.655 0.011 . 2 . . 253 . . 36 LYS HD2 . 19541 3 387 . 1 1 36 36 LYS HD3 H 1 1.610 0.017 . 2 . . 485 . . 36 LYS HD3 . 19541 3 388 . 1 1 36 36 LYS HE2 H 1 2.978 0.008 . 1 . . 256 . . 36 LYS HE2 . 19541 3 389 . 1 1 36 36 LYS HE3 H 1 2.978 0.008 . 1 . . 486 . . 36 LYS HE3 . 19541 3 390 . 1 1 36 36 LYS CA C 13 54.834 . . 1 . . 574 . . 36 LYS CA . 19541 3 391 . 1 1 36 36 LYS CB C 13 35.089 0.063 . 1 . . 570 . . 36 LYS CB . 19541 3 392 . 1 1 36 36 LYS CG C 13 24.533 0.009 . 1 . . 566 . . 36 LYS CG . 19541 3 393 . 1 1 36 36 LYS CD C 13 28.996 0.01 . 1 . . 569 . . 36 LYS CD . 19541 3 394 . 1 1 36 36 LYS CE C 13 42.226 0.011 . 1 . . 568 . . 36 LYS CE . 19541 3 395 . 1 1 36 36 LYS N N 15 115.614 0.08 . 1 . . 53 . . 36 LYS N . 19541 3 396 . 1 1 37 37 GLY H H 1 8.121 0.01 . 1 . . 54 . . 37 GLY H . 19541 3 397 . 1 1 37 37 GLY HA2 H 1 3.713 0.012 . 2 . . 251 . . 37 GLY HA2 . 19541 3 398 . 1 1 37 37 GLY HA3 H 1 4.305 0.011 . 2 . . 100 . . 37 GLY HA3 . 19541 3 399 . 1 1 37 37 GLY CA C 13 43.561 0.057 . 1 . . 565 . . 37 GLY CA . 19541 3 400 . 1 1 37 37 GLY N N 15 108.281 0.021 . 1 . . 58 . . 37 GLY N . 19541 3 401 . 1 1 38 38 GLN H H 1 10.362 0.021 . 1 . . 60 . . 38 GLN H . 19541 3 402 . 1 1 38 38 GLN HA H 1 4.404 0.005 . 1 . . 244 . . 38 GLN HA . 19541 3 403 . 1 1 38 38 GLN HB2 H 1 2.184 0.008 . 2 . . 249 . . 38 GLN HB2 . 19541 3 404 . 1 1 38 38 GLN HB3 H 1 2.389 0.005 . 2 . . 250 . . 38 GLN HB3 . 19541 3 405 . 1 1 38 38 GLN HG2 H 1 2.381 0.011 . 2 . . 246 . . 38 GLN HG2 . 19541 3 406 . 1 1 38 38 GLN HG3 H 1 2.416 0.016 . 2 . . 488 . . 38 GLN HG3 . 19541 3 407 . 1 1 38 38 GLN HE21 H 1 7.642 0.018 . 1 . . 248 . . 38 GLN HE21 . 19541 3 408 . 1 1 38 38 GLN HE22 H 1 6.905 0.016 . 1 . . 245 . . 38 GLN HE22 . 19541 3 409 . 1 1 38 38 GLN CA C 13 57.914 . . 1 . . 523 . . 38 GLN CA . 19541 3 410 . 1 1 38 38 GLN CB C 13 30.070 0.007 . 1 . . 563 . . 38 GLN CB . 19541 3 411 . 1 1 38 38 GLN CG C 13 34.233 0.012 . 1 . . 562 . . 38 GLN CG . 19541 3 412 . 1 1 38 38 GLN N N 15 117.735 0.118 . 1 . . 61 . . 38 GLN N . 19541 3 413 . 1 1 38 38 GLN NE2 N 15 111.598 0.068 . 1 . . 247 . . 38 GLN NE2 . 19541 3 414 . 1 1 39 39 GLU H H 1 9.080 0.01 . 1 . . 57 . . 39 GLU H . 19541 3 415 . 1 1 39 39 GLU HA H 1 5.067 0.015 . 1 . . 459 . . 39 GLU HA . 19541 3 416 . 1 1 39 39 GLU HB2 H 1 1.962 0.013 . 2 . . 755 . . 39 GLU HB2 . 19541 3 417 . 1 1 39 39 GLU HB3 H 1 2.145 0.011 . 2 . . 753 . . 39 GLU HB3 . 19541 3 418 . 1 1 39 39 GLU HG2 H 1 2.052 0.013 . 2 . . 396 . . 39 GLU HG2 . 19541 3 419 . 1 1 39 39 GLU HG3 H 1 2.242 0.005 . 2 . . 395 . . 39 GLU HG3 . 19541 3 420 . 1 1 39 39 GLU CA C 13 55.759 . . 1 . . 679 . . 39 GLU CA . 19541 3 421 . 1 1 39 39 GLU CB C 13 33.483 0.025 . 1 . . 754 . . 39 GLU CB . 19541 3 422 . 1 1 39 39 GLU CG C 13 36.624 0.053 . 1 . . 678 . . 39 GLU CG . 19541 3 423 . 1 1 39 39 GLU N N 15 119.269 0.115 . 1 . . 59 . . 39 GLU N . 19541 3 424 . 1 1 40 40 ALA H H 1 9.068 0.019 . 1 . . 65 . . 40 ALA H . 19541 3 425 . 1 1 40 40 ALA HA H 1 5.043 0.009 . 1 . . 94 . . 40 ALA HA . 19541 3 426 . 1 1 40 40 ALA HB1 H 1 1.174 0.005 . 1 . . 96 . . 40 ALA HB1 . 19541 3 427 . 1 1 40 40 ALA HB2 H 1 1.174 0.005 . 1 . . 96 . . 40 ALA HB2 . 19541 3 428 . 1 1 40 40 ALA HB3 H 1 1.174 0.005 . 1 . . 96 . . 40 ALA HB3 . 19541 3 429 . 1 1 40 40 ALA CA C 13 52.224 . . 1 . . 812 . . 40 ALA CA . 19541 3 430 . 1 1 40 40 ALA CB C 13 22.872 0.021 . 1 . . 677 . . 40 ALA CB . 19541 3 431 . 1 1 40 40 ALA N N 15 125.199 0.005 . 1 . . 67 . . 40 ALA N . 19541 3 432 . 1 1 41 41 LYS H H 1 8.894 0.02 . 1 . . 93 . . 41 LYS H . 19541 3 433 . 1 1 41 41 LYS N N 15 120.522 0.018 . 1 . . 95 . . 41 LYS N . 19541 3 434 . 1 1 42 42 LEU H H 1 9.153 0.026 . 1 . . 261 . . 42 LEU H . 19541 3 435 . 1 1 42 42 LEU HA H 1 4.543 0.012 . 1 . . 401 . . 42 LEU HA . 19541 3 436 . 1 1 42 42 LEU HD11 H 1 0.813 0.01 . 2 . . 386 . . 42 LEU HD11 . 19541 3 437 . 1 1 42 42 LEU HD12 H 1 0.813 0.01 . 2 . . 386 . . 42 LEU HD12 . 19541 3 438 . 1 1 42 42 LEU HD13 H 1 0.813 0.01 . 2 . . 386 . . 42 LEU HD13 . 19541 3 439 . 1 1 42 42 LEU HD21 H 1 0.539 0.005 . 2 . . 460 . . 42 LEU HD21 . 19541 3 440 . 1 1 42 42 LEU HD22 H 1 0.539 0.005 . 2 . . 460 . . 42 LEU HD22 . 19541 3 441 . 1 1 42 42 LEU HD23 H 1 0.539 0.005 . 2 . . 460 . . 42 LEU HD23 . 19541 3 442 . 1 1 42 42 LEU CD1 C 13 23.631 0.025 . 2 . . 718 . . 42 LEU CD1 . 19541 3 443 . 1 1 42 42 LEU CD2 C 13 26.707 0.024 . 2 . . 756 . . 42 LEU CD2 . 19541 3 444 . 1 1 42 42 LEU N N 15 123.635 . . 1 . . 262 . . 42 LEU N . 19541 3 445 . 1 1 43 43 TYR H H 1 9.295 0.019 . 1 . . 381 . . 43 TYR H . 19541 3 446 . 1 1 43 43 TYR HA H 1 5.068 0.009 . 1 . . 400 . . 43 TYR HA . 19541 3 447 . 1 1 43 43 TYR HD1 H 1 6.681 0.02 . 3 . . 320 . . 43 TYR HD1 . 19541 3 448 . 1 1 43 43 TYR HD2 H 1 6.681 0.02 . 3 . . 320 . . 43 TYR HD2 . 19541 3 449 . 1 1 43 43 TYR HE1 H 1 6.619 0.015 . 3 . . 636 . . 43 TYR HE1 . 19541 3 450 . 1 1 43 43 TYR HE2 H 1 6.619 0.015 . 3 . . 636 . . 43 TYR HE2 . 19541 3 451 . 1 1 43 43 TYR CA C 13 56.994 . . 1 . . 757 . . 43 TYR CA . 19541 3 452 . 1 1 43 43 TYR CD1 C 13 133.291 0.0 . 3 . . 726 . . 43 TYR CD1 . 19541 3 453 . 1 1 43 43 TYR CD2 C 13 133.291 0.0 . 3 . . 726 . . 43 TYR CD2 . 19541 3 454 . 1 1 43 43 TYR CE1 C 13 117.767 0.0 . 3 . . 758 . . 43 TYR CE1 . 19541 3 455 . 1 1 43 43 TYR CE2 C 13 117.767 0.0 . 3 . . 758 . . 43 TYR CE2 . 19541 3 456 . 1 1 43 43 TYR N N 15 125.238 0.059 . 1 . . 399 . . 43 TYR N . 19541 3 457 . 1 1 44 44 LEU H H 1 8.764 0.02 . 1 . . 110 . . 44 LEU H . 19541 3 458 . 1 1 44 44 LEU HA H 1 5.077 0.016 . 1 . . 111 . . 44 LEU HA . 19541 3 459 . 1 1 44 44 LEU HB2 H 1 1.268 0.006 . 2 . . 615 . . 44 LEU HB2 . 19541 3 460 . 1 1 44 44 LEU HB3 H 1 1.471 0.007 . 2 . . 613 . . 44 LEU HB3 . 19541 3 461 . 1 1 44 44 LEU HG H 1 1.170 0.001 . 1 . . 780 . . 44 LEU HG . 19541 3 462 . 1 1 44 44 LEU HD11 H 1 0.341 0.01 . 2 . . 81 . . 44 LEU HD11 . 19541 3 463 . 1 1 44 44 LEU HD12 H 1 0.341 0.01 . 2 . . 81 . . 44 LEU HD12 . 19541 3 464 . 1 1 44 44 LEU HD13 H 1 0.341 0.01 . 2 . . 81 . . 44 LEU HD13 . 19541 3 465 . 1 1 44 44 LEU HD21 H 1 0.385 0.005 . 2 . . 305 . . 44 LEU HD21 . 19541 3 466 . 1 1 44 44 LEU HD22 H 1 0.385 0.005 . 2 . . 305 . . 44 LEU HD22 . 19541 3 467 . 1 1 44 44 LEU HD23 H 1 0.385 0.005 . 2 . . 305 . . 44 LEU HD23 . 19541 3 468 . 1 1 44 44 LEU CA C 13 52.984 0.0 . 1 . . 580 . . 44 LEU CA . 19541 3 469 . 1 1 44 44 LEU CB C 13 47.019 0.027 . 1 . . 614 . . 44 LEU CB . 19541 3 470 . 1 1 44 44 LEU CG C 13 27.178 0.014 . 1 . . 781 . . 44 LEU CG . 19541 3 471 . 1 1 44 44 LEU CD1 C 13 25.311 0.019 . 2 . . 514 . . 44 LEU CD1 . 19541 3 472 . 1 1 44 44 LEU CD2 C 13 26.862 0.025 . 2 . . 616 . . 44 LEU CD2 . 19541 3 473 . 1 1 44 44 LEU N N 15 118.698 0.008 . 1 . . 112 . . 44 LEU N . 19541 3 474 . 1 1 45 45 ALA H H 1 9.088 0.016 . 1 . . 48 . . 45 ALA H . 19541 3 475 . 1 1 45 45 ALA HA H 1 5.574 0.013 . 1 . . 71 . . 45 ALA HA . 19541 3 476 . 1 1 45 45 ALA HB1 H 1 1.396 0.007 . 1 . . 69 . . 45 ALA HB1 . 19541 3 477 . 1 1 45 45 ALA HB2 H 1 1.396 0.007 . 1 . . 69 . . 45 ALA HB2 . 19541 3 478 . 1 1 45 45 ALA HB3 H 1 1.396 0.007 . 1 . . 69 . . 45 ALA HB3 . 19541 3 479 . 1 1 45 45 ALA CA C 13 50.300 0.0 . 1 . . 551 . . 45 ALA CA . 19541 3 480 . 1 1 45 45 ALA CB C 13 21.322 0.024 . 1 . . 511 . . 45 ALA CB . 19541 3 481 . 1 1 45 45 ALA N N 15 125.965 0.036 . 1 . . 72 . . 45 ALA N . 19541 3 482 . 1 1 46 46 ALA H H 1 8.572 0.018 . 1 . . 68 . . 46 ALA H . 19541 3 483 . 1 1 46 46 ALA HA H 1 4.753 0.009 . 1 . . 181 . . 46 ALA HA . 19541 3 484 . 1 1 46 46 ALA HB1 H 1 1.038 0.003 . 1 . . 180 . . 46 ALA HB1 . 19541 3 485 . 1 1 46 46 ALA HB2 H 1 1.038 0.003 . 1 . . 180 . . 46 ALA HB2 . 19541 3 486 . 1 1 46 46 ALA HB3 H 1 1.038 0.003 . 1 . . 180 . . 46 ALA HB3 . 19541 3 487 . 1 1 46 46 ALA CA C 13 51.100 . . 1 . . 827 . . 46 ALA CA . 19541 3 488 . 1 1 46 46 ALA CB C 13 21.318 0.024 . 1 . . 510 . . 46 ALA CB . 19541 3 489 . 1 1 46 46 ALA N N 15 124.906 0.055 . 1 . . 70 . . 46 ALA N . 19541 3 490 . 1 1 47 47 GLU H H 1 9.486 0.018 . 1 . . 74 . . 47 GLU H . 19541 3 491 . 1 1 47 47 GLU HA H 1 3.901 0.005 . 1 . . 212 . . 47 GLU HA . 19541 3 492 . 1 1 47 47 GLU HB2 H 1 2.155 0.006 . 2 . . 325 . . 47 GLU HB2 . 19541 3 493 . 1 1 47 47 GLU HB3 H 1 2.255 0.003 . 2 . . 324 . . 47 GLU HB3 . 19541 3 494 . 1 1 47 47 GLU HG2 H 1 2.260 0.003 . 2 . . 323 . . 47 GLU HG2 . 19541 3 495 . 1 1 47 47 GLU HG3 H 1 2.418 0.003 . 2 . . 322 . . 47 GLU HG3 . 19541 3 496 . 1 1 47 47 GLU CA C 13 57.448 . . 1 . . 518 . . 47 GLU CA . 19541 3 497 . 1 1 47 47 GLU CB C 13 27.458 0.011 . 1 . . 627 . . 47 GLU CB . 19541 3 498 . 1 1 47 47 GLU CG C 13 36.074 0.012 . 1 . . 626 . . 47 GLU CG . 19541 3 499 . 1 1 47 47 GLU N N 15 121.902 0.147 . 1 . . 182 . . 47 GLU N . 19541 3 500 . 1 1 48 48 LYS H H 1 8.622 0.007 . 1 . . 213 . . 48 LYS H . 19541 3 501 . 1 1 48 48 LYS HA H 1 3.913 0.004 . 1 . . 214 . . 48 LYS HA . 19541 3 502 . 1 1 48 48 LYS HB2 H 1 2.036 0.004 . 1 . . 326 . . 48 LYS HB2 . 19541 3 503 . 1 1 48 48 LYS HB3 H 1 2.036 0.004 . 1 . . 489 . . 48 LYS HB3 . 19541 3 504 . 1 1 48 48 LYS HG2 H 1 1.383 0.01 . 2 . . 321 . . 48 LYS HG2 . 19541 3 505 . 1 1 48 48 LYS HG3 H 1 1.339 0.016 . 2 . . 490 . . 48 LYS HG3 . 19541 3 506 . 1 1 48 48 LYS HD2 H 1 1.671 0.008 . 2 . . 328 . . 48 LYS HD2 . 19541 3 507 . 1 1 48 48 LYS HD3 H 1 1.641 0.016 . 2 . . 327 . . 48 LYS HD3 . 19541 3 508 . 1 1 48 48 LYS HE2 H 1 2.968 0.004 . 1 . . 571 . . 48 LYS HE2 . 19541 3 509 . 1 1 48 48 LYS HE3 H 1 2.968 0.004 . 1 . . 807 . . 48 LYS HE3 . 19541 3 510 . 1 1 48 48 LYS CA C 13 57.605 0.0 . 1 . . 519 . . 48 LYS CA . 19541 3 511 . 1 1 48 48 LYS CB C 13 30.544 0.012 . 1 . . 630 . . 48 LYS CB . 19541 3 512 . 1 1 48 48 LYS CG C 13 25.468 0.011 . 1 . . 587 . . 48 LYS CG . 19541 3 513 . 1 1 48 48 LYS CD C 13 28.926 0.089 . 1 . . 629 . . 48 LYS CD . 19541 3 514 . 1 1 48 48 LYS CE C 13 42.228 0.012 . 1 . . 572 . . 48 LYS CE . 19541 3 515 . 1 1 48 48 LYS N N 15 111.721 0.144 . 1 . . 215 . . 48 LYS N . 19541 3 516 . 1 1 49 49 GLN H H 1 7.882 0.017 . 1 . . 75 . . 49 GLN H . 19541 3 517 . 1 1 49 49 GLN HA H 1 4.513 0.004 . 1 . . 216 . . 49 GLN HA . 19541 3 518 . 1 1 49 49 GLN HB2 H 1 1.959 0.005 . 2 . . 333 . . 49 GLN HB2 . 19541 3 519 . 1 1 49 49 GLN HB3 H 1 1.680 0.002 . 2 . . 332 . . 49 GLN HB3 . 19541 3 520 . 1 1 49 49 GLN HG2 H 1 2.191 0.011 . 2 . . 335 . . 49 GLN HG2 . 19541 3 521 . 1 1 49 49 GLN HG3 H 1 2.239 0.006 . 2 . . 334 . . 49 GLN HG3 . 19541 3 522 . 1 1 49 49 GLN HE21 H 1 7.544 0.026 . 1 . . 330 . . 49 GLN HE21 . 19541 3 523 . 1 1 49 49 GLN HE22 H 1 6.935 0.022 . 1 . . 331 . . 49 GLN HE22 . 19541 3 524 . 1 1 49 49 GLN CA C 13 54.375 . . 1 . . 631 . . 49 GLN CA . 19541 3 525 . 1 1 49 49 GLN CB C 13 32.340 0.055 . 1 . . 633 . . 49 GLN CB . 19541 3 526 . 1 1 49 49 GLN CG C 13 34.188 0.059 . 1 . . 632 . . 49 GLN CG . 19541 3 527 . 1 1 49 49 GLN N N 15 118.426 0.005 . 1 . . 217 . . 49 GLN N . 19541 3 528 . 1 1 49 49 GLN NE2 N 15 112.640 0.058 . 1 . . 461 . . 49 GLN NE2 . 19541 3 529 . 1 1 50 50 GLU H H 1 8.099 0.017 . 1 . . 329 . . 50 GLU H . 19541 3 530 . 1 1 50 50 GLU HA H 1 5.075 0.012 . 1 . . 304 . . 50 GLU HA . 19541 3 531 . 1 1 50 50 GLU HB2 H 1 1.782 0.016 . 1 . . 338 . . 50 GLU HB2 . 19541 3 532 . 1 1 50 50 GLU HB3 H 1 1.782 0.016 . 1 . . 491 . . 50 GLU HB3 . 19541 3 533 . 1 1 50 50 GLU HG2 H 1 1.986 0.006 . 2 . . 337 . . 50 GLU HG2 . 19541 3 534 . 1 1 50 50 GLU HG3 H 1 2.102 0.004 . 2 . . 492 . . 50 GLU HG3 . 19541 3 535 . 1 1 50 50 GLU CA C 13 55.298 . . 1 . . 634 . . 50 GLU CA . 19541 3 536 . 1 1 50 50 GLU CB C 13 32.862 0.026 . 1 . . 635 . . 50 GLU CB . 19541 3 537 . 1 1 50 50 GLU CG C 13 37.234 0.098 . 1 . . 667 . . 50 GLU CG . 19541 3 538 . 1 1 50 50 GLU N N 15 120.526 0.019 . 1 . . 336 . . 50 GLU N . 19541 3 539 . 1 1 51 51 TYR H H 1 9.509 0.019 . 1 . . 73 . . 51 TYR H . 19541 3 540 . 1 1 51 51 TYR HA H 1 4.849 0.017 . 1 . . 339 . . 51 TYR HA . 19541 3 541 . 1 1 51 51 TYR HB2 H 1 2.857 0.011 . 1 . . 837 . . 51 TYR HB2 . 19541 3 542 . 1 1 51 51 TYR HB3 H 1 2.857 0.011 . 1 . . 855 . . 51 TYR HB3 . 19541 3 543 . 1 1 51 51 TYR HD1 H 1 6.992 0.018 . 3 . . 76 . . 51 TYR HD1 . 19541 3 544 . 1 1 51 51 TYR HD2 H 1 6.992 0.018 . 3 . . 76 . . 51 TYR HD2 . 19541 3 545 . 1 1 51 51 TYR HE1 H 1 6.429 0.016 . 3 . . 77 . . 51 TYR HE1 . 19541 3 546 . 1 1 51 51 TYR HE2 H 1 6.429 0.016 . 3 . . 77 . . 51 TYR HE2 . 19541 3 547 . 1 1 51 51 TYR CA C 13 56.634 . . 1 . . 836 . . 51 TYR CA . 19541 3 548 . 1 1 51 51 TYR CB C 13 41.479 . . 1 . . 838 . . 51 TYR CB . 19541 3 549 . 1 1 51 51 TYR CD1 C 13 133.761 . . 3 . . 727 . . 51 TYR CD1 . 19541 3 550 . 1 1 51 51 TYR CD2 C 13 133.761 . . 3 . . 727 . . 51 TYR CD2 . 19541 3 551 . 1 1 51 51 TYR CE1 C 13 117.467 . . 3 . . 811 . . 51 TYR CE1 . 19541 3 552 . 1 1 51 51 TYR CE2 C 13 117.467 . . 3 . . 811 . . 51 TYR CE2 . 19541 3 553 . 1 1 51 51 TYR N N 15 123.135 0.04 . 1 . . 243 . . 51 TYR N . 19541 3 554 . 1 1 52 52 ILE H H 1 8.435 0.025 . 1 . . 186 . . 52 ILE H . 19541 3 555 . 1 1 52 52 ILE HA H 1 4.284 0.017 . 1 . . 191 . . 52 ILE HA . 19541 3 556 . 1 1 52 52 ILE HB H 1 1.555 0.004 . 1 . . 190 . . 52 ILE HB . 19541 3 557 . 1 1 52 52 ILE HG12 H 1 1.007 0.018 . 2 . . 639 . . 52 ILE HG12 . 19541 3 558 . 1 1 52 52 ILE HG13 H 1 0.855 0.008 . 2 . . 578 . . 52 ILE HG13 . 19541 3 559 . 1 1 52 52 ILE HG21 H 1 0.900 0.005 . 1 . . 189 . . 52 ILE HG21 . 19541 3 560 . 1 1 52 52 ILE HG22 H 1 0.900 0.005 . 1 . . 189 . . 52 ILE HG22 . 19541 3 561 . 1 1 52 52 ILE HG23 H 1 0.900 0.005 . 1 . . 189 . . 52 ILE HG23 . 19541 3 562 . 1 1 52 52 ILE HD11 H 1 0.424 0.004 . 1 . . 187 . . 52 ILE HD11 . 19541 3 563 . 1 1 52 52 ILE HD12 H 1 0.424 0.004 . 1 . . 187 . . 52 ILE HD12 . 19541 3 564 . 1 1 52 52 ILE HD13 H 1 0.424 0.004 . 1 . . 187 . . 52 ILE HD13 . 19541 3 565 . 1 1 52 52 ILE CA C 13 58.375 . . 1 . . 817 . . 52 ILE CA . 19541 3 566 . 1 1 52 52 ILE CB C 13 38.949 0.06 . 1 . . 637 . . 52 ILE CB . 19541 3 567 . 1 1 52 52 ILE CG1 C 13 30.084 0.012 . 1 . . 638 . . 52 ILE CG1 . 19541 3 568 . 1 1 52 52 ILE CG2 C 13 17.327 0.021 . 1 . . 577 . . 52 ILE CG2 . 19541 3 569 . 1 1 52 52 ILE CD1 C 13 13.501 0.124 . 1 . . 579 . . 52 ILE CD1 . 19541 3 570 . 1 1 52 52 ILE N N 15 121.747 0.092 . 1 . . 188 . . 52 ILE N . 19541 3 571 . 1 1 53 53 VAL H H 1 8.776 0.019 . 1 . . 192 . . 53 VAL H . 19541 3 572 . 1 1 53 53 VAL HA H 1 3.899 0.005 . 1 . . 458 . . 53 VAL HA . 19541 3 573 . 1 1 53 53 VAL HB H 1 1.543 0.006 . 1 . . 194 . . 53 VAL HB . 19541 3 574 . 1 1 53 53 VAL HG11 H 1 0.754 0.013 . 2 . . 300 . . 53 VAL HG11 . 19541 3 575 . 1 1 53 53 VAL HG12 H 1 0.754 0.013 . 2 . . 300 . . 53 VAL HG12 . 19541 3 576 . 1 1 53 53 VAL HG13 H 1 0.754 0.013 . 2 . . 300 . . 53 VAL HG13 . 19541 3 577 . 1 1 53 53 VAL HG21 H 1 0.799 0.006 . 2 . . 299 . . 53 VAL HG21 . 19541 3 578 . 1 1 53 53 VAL HG22 H 1 0.799 0.006 . 2 . . 299 . . 53 VAL HG22 . 19541 3 579 . 1 1 53 53 VAL HG23 H 1 0.799 0.006 . 2 . . 299 . . 53 VAL HG23 . 19541 3 580 . 1 1 53 53 VAL CA C 13 62.784 . . 1 . . 778 . . 53 VAL CA . 19541 3 581 . 1 1 53 53 VAL CB C 13 32.888 . . 1 . . 826 . . 53 VAL CB . 19541 3 582 . 1 1 53 53 VAL CG1 C 13 23.644 0.013 . 2 . . 779 . . 53 VAL CG1 . 19541 3 583 . 1 1 53 53 VAL CG2 C 13 22.878 0.018 . 2 . . 612 . . 53 VAL CG2 . 19541 3 584 . 1 1 53 53 VAL N N 15 123.589 0.063 . 1 . . 193 . . 53 VAL N . 19541 3 585 . 1 1 54 54 ALA H H 1 7.133 0.016 . 1 . . 159 . . 54 ALA H . 19541 3 586 . 1 1 54 54 ALA HA H 1 4.476 0.01 . 1 . . 157 . . 54 ALA HA . 19541 3 587 . 1 1 54 54 ALA HB1 H 1 1.081 0.004 . 1 . . 160 . . 54 ALA HB1 . 19541 3 588 . 1 1 54 54 ALA HB2 H 1 1.081 0.004 . 1 . . 160 . . 54 ALA HB2 . 19541 3 589 . 1 1 54 54 ALA HB3 H 1 1.081 0.004 . 1 . . 160 . . 54 ALA HB3 . 19541 3 590 . 1 1 54 54 ALA CA C 13 51.500 . . 1 . . 641 . . 54 ALA CA . 19541 3 591 . 1 1 54 54 ALA CB C 13 23.110 0.081 . 1 . . 642 . . 54 ALA CB . 19541 3 592 . 1 1 54 54 ALA N N 15 112.427 0.032 . 1 . . 161 . . 54 ALA N . 19541 3 593 . 1 1 55 55 THR H H 1 9.150 0.015 . 1 . . 154 . . 55 THR H . 19541 3 594 . 1 1 55 55 THR HA H 1 4.798 0.011 . 1 . . 158 . . 55 THR HA . 19541 3 595 . 1 1 55 55 THR HB H 1 4.026 0.006 . 1 . . 163 . . 55 THR HB . 19541 3 596 . 1 1 55 55 THR HG1 H 1 6.400 0.004 . 1 . . 162 . . 55 THR HG1 . 19541 3 597 . 1 1 55 55 THR HG21 H 1 1.113 0.004 . 1 . . 155 . . 55 THR HG21 . 19541 3 598 . 1 1 55 55 THR HG22 H 1 1.113 0.004 . 1 . . 155 . . 55 THR HG22 . 19541 3 599 . 1 1 55 55 THR HG23 H 1 1.113 0.004 . 1 . . 155 . . 55 THR HG23 . 19541 3 600 . 1 1 55 55 THR CA C 13 63.170 0.0 . 1 . . 833 . . 55 THR CA . 19541 3 601 . 1 1 55 55 THR CB C 13 70.374 . . 1 . . 643 . . 55 THR CB . 19541 3 602 . 1 1 55 55 THR CG2 C 13 20.170 0.07 . 1 . . 644 . . 55 THR CG2 . 19541 3 603 . 1 1 55 55 THR N N 15 117.899 0.008 . 1 . . 156 . . 55 THR N . 19541 3 604 . 1 1 56 56 VAL H H 1 8.985 0.014 . 1 . . 119 . . 56 VAL H . 19541 3 605 . 1 1 56 56 VAL HA H 1 4.939 0.013 . 1 . . 124 . . 56 VAL HA . 19541 3 606 . 1 1 56 56 VAL HB H 1 2.033 0.01 . 1 . . 123 . . 56 VAL HB . 19541 3 607 . 1 1 56 56 VAL HG11 H 1 0.795 0.008 . 2 . . 121 . . 56 VAL HG11 . 19541 3 608 . 1 1 56 56 VAL HG12 H 1 0.795 0.008 . 2 . . 121 . . 56 VAL HG12 . 19541 3 609 . 1 1 56 56 VAL HG13 H 1 0.795 0.008 . 2 . . 121 . . 56 VAL HG13 . 19541 3 610 . 1 1 56 56 VAL HG21 H 1 0.760 0.013 . 2 . . 120 . . 56 VAL HG21 . 19541 3 611 . 1 1 56 56 VAL HG22 H 1 0.760 0.013 . 2 . . 120 . . 56 VAL HG22 . 19541 3 612 . 1 1 56 56 VAL HG23 H 1 0.760 0.013 . 2 . . 120 . . 56 VAL HG23 . 19541 3 613 . 1 1 56 56 VAL CA C 13 58.836 0.0 . 1 . . 645 . . 56 VAL CA . 19541 3 614 . 1 1 56 56 VAL CB C 13 34.247 0.026 . 1 . . 640 . . 56 VAL CB . 19541 3 615 . 1 1 56 56 VAL CG1 C 13 24.093 0.023 . 2 . . 545 . . 56 VAL CG1 . 19541 3 616 . 1 1 56 56 VAL CG2 C 13 20.557 0.024 . 2 . . 583 . . 56 VAL CG2 . 19541 3 617 . 1 1 56 56 VAL N N 15 119.468 . . 1 . . 122 . . 56 VAL N . 19541 3 618 . 1 1 57 57 THR H H 1 8.072 0.016 . 1 . . 125 . . 57 THR H . 19541 3 619 . 1 1 57 57 THR HA H 1 5.233 0.018 . 1 . . 127 . . 57 THR HA . 19541 3 620 . 1 1 57 57 THR HB H 1 4.668 0.014 . 1 . . 130 . . 57 THR HB . 19541 3 621 . 1 1 57 57 THR HG1 H 1 5.492 0.016 . 1 . . 128 . . 57 THR HG1 . 19541 3 622 . 1 1 57 57 THR HG21 H 1 1.217 0.01 . 1 . . 131 . . 57 THR HG21 . 19541 3 623 . 1 1 57 57 THR HG22 H 1 1.217 0.01 . 1 . . 131 . . 57 THR HG22 . 19541 3 624 . 1 1 57 57 THR HG23 H 1 1.217 0.01 . 1 . . 131 . . 57 THR HG23 . 19541 3 625 . 1 1 57 57 THR CA C 13 58.990 0.0 . 1 . . 516 . . 57 THR CA . 19541 3 626 . 1 1 57 57 THR CB C 13 74.164 0.0 . 1 . . 646 . . 57 THR CB . 19541 3 627 . 1 1 57 57 THR CG2 C 13 22.244 0.021 . 1 . . 647 . . 57 THR CG2 . 19541 3 628 . 1 1 57 57 THR N N 15 112.147 0.056 . 1 . . 126 . . 57 THR N . 19541 3 629 . 1 1 58 58 LYS H H 1 7.809 0.022 . 1 . . 64 . . 58 LYS H . 19541 3 630 . 1 1 58 58 LYS HA H 1 3.893 0.006 . 1 . . 202 . . 58 LYS HA . 19541 3 631 . 1 1 58 58 LYS HB2 H 1 1.971 0.004 . 2 . . 201 . . 58 LYS HB2 . 19541 3 632 . 1 1 58 58 LYS HB3 H 1 1.847 0.004 . 2 . . 200 . . 58 LYS HB3 . 19541 3 633 . 1 1 58 58 LYS HG2 H 1 1.511 0.006 . 2 . . 560 . . 58 LYS HG2 . 19541 3 634 . 1 1 58 58 LYS HG3 H 1 1.654 0.004 . 2 . . 559 . . 58 LYS HG3 . 19541 3 635 . 1 1 58 58 LYS HD2 H 1 1.749 0.012 . 2 . . 557 . . 58 LYS HD2 . 19541 3 636 . 1 1 58 58 LYS HD3 H 1 1.749 0.012 . 2 . . 808 . . 58 LYS HD3 . 19541 3 637 . 1 1 58 58 LYS HE2 H 1 3.033 0.005 . 1 . . 554 . . 58 LYS HE2 . 19541 3 638 . 1 1 58 58 LYS HE3 H 1 3.033 0.005 . 1 . . 809 . . 58 LYS HE3 . 19541 3 639 . 1 1 58 58 LYS CA C 13 59.605 0.0 . 1 . . 553 . . 58 LYS CA . 19541 3 640 . 1 1 58 58 LYS CB C 13 32.230 0.012 . 1 . . 556 . . 58 LYS CB . 19541 3 641 . 1 1 58 58 LYS CG C 13 25.027 0.075 . 1 . . 561 . . 58 LYS CG . 19541 3 642 . 1 1 58 58 LYS CD C 13 29.243 0.088 . 1 . . 558 . . 58 LYS CD . 19541 3 643 . 1 1 58 58 LYS CE C 13 42.221 . . 1 . . 555 . . 58 LYS CE . 19541 3 644 . 1 1 58 58 LYS N N 15 116.345 0.073 . 1 . . 66 . . 58 LYS N . 19541 3 645 . 1 1 59 59 ALA H H 1 7.801 0.019 . 1 . . 196 . . 59 ALA H . 19541 3 646 . 1 1 59 59 ALA HA H 1 4.291 0.01 . 1 . . 197 . . 59 ALA HA . 19541 3 647 . 1 1 59 59 ALA HB1 H 1 1.458 0.015 . 1 . . 199 . . 59 ALA HB1 . 19541 3 648 . 1 1 59 59 ALA HB2 H 1 1.458 0.015 . 1 . . 199 . . 59 ALA HB2 . 19541 3 649 . 1 1 59 59 ALA HB3 H 1 1.458 0.015 . 1 . . 199 . . 59 ALA HB3 . 19541 3 650 . 1 1 59 59 ALA CA C 13 53.452 . . 1 . . 651 . . 59 ALA CA . 19541 3 651 . 1 1 59 59 ALA CB C 13 19.312 0.022 . 1 . . 650 . . 59 ALA CB . 19541 3 652 . 1 1 59 59 ALA N N 15 116.396 0.121 . 1 . . 198 . . 59 ALA N . 19541 3 653 . 1 1 60 60 ILE H H 1 7.387 0.019 . 1 . . 153 . . 60 ILE H . 19541 3 654 . 1 1 60 60 ILE HA H 1 4.465 0.014 . 1 . . 349 . . 60 ILE HA . 19541 3 655 . 1 1 60 60 ILE HB H 1 2.141 0.014 . 1 . . 348 . . 60 ILE HB . 19541 3 656 . 1 1 60 60 ILE HG12 H 1 1.473 0.012 . 1 . . 655 . . 60 ILE HG12 . 19541 3 657 . 1 1 60 60 ILE HG13 H 1 1.473 0.012 . 1 . . 810 . . 60 ILE HG13 . 19541 3 658 . 1 1 60 60 ILE HG21 H 1 1.130 0.012 . 1 . . 132 . . 60 ILE HG21 . 19541 3 659 . 1 1 60 60 ILE HG22 H 1 1.130 0.012 . 1 . . 132 . . 60 ILE HG22 . 19541 3 660 . 1 1 60 60 ILE HG23 H 1 1.130 0.012 . 1 . . 132 . . 60 ILE HG23 . 19541 3 661 . 1 1 60 60 ILE HD11 H 1 1.058 0.012 . 1 . . 352 . . 60 ILE HD11 . 19541 3 662 . 1 1 60 60 ILE HD12 H 1 1.058 0.012 . 1 . . 352 . . 60 ILE HD12 . 19541 3 663 . 1 1 60 60 ILE HD13 H 1 1.058 0.012 . 1 . . 352 . . 60 ILE HD13 . 19541 3 664 . 1 1 60 60 ILE CA C 13 58.994 0.0 . 1 . . 658 . . 60 ILE CA . 19541 3 665 . 1 1 60 60 ILE CB C 13 38.565 0.024 . 1 . . 653 . . 60 ILE CB . 19541 3 666 . 1 1 60 60 ILE CG1 C 13 26.708 0.025 . 1 . . 656 . . 60 ILE CG1 . 19541 3 667 . 1 1 60 60 ILE CG2 C 13 18.862 0.022 . 1 . . 654 . . 60 ILE CG2 . 19541 3 668 . 1 1 60 60 ILE CD1 C 13 14.244 0.023 . 1 . . 657 . . 60 ILE CD1 . 19541 3 669 . 1 1 60 60 ILE N N 15 118.425 0.002 . 1 . . 195 . . 60 ILE N . 19541 3 670 . 1 1 61 61 PRO HA H 1 4.815 0.005 . 1 . . 841 . . 61 PRO HA . 19541 3 671 . 1 1 61 61 PRO HB2 H 1 2.182 . . 2 . . 844 . . 61 PRO HB2 . 19541 3 672 . 1 1 61 61 PRO HB3 H 1 2.348 . . 2 . . 842 . . 61 PRO HB3 . 19541 3 673 . 1 1 61 61 PRO HG2 H 1 2.044 0.012 . 1 . . 823 . . 61 PRO HG2 . 19541 3 674 . 1 1 61 61 PRO HG3 H 1 2.044 0.012 . 1 . . 856 . . 61 PRO HG3 . 19541 3 675 . 1 1 61 61 PRO HD2 H 1 3.437 0.016 . 2 . . 343 . . 61 PRO HD2 . 19541 3 676 . 1 1 61 61 PRO HD3 H 1 3.701 0.013 . 2 . . 341 . . 61 PRO HD3 . 19541 3 677 . 1 1 61 61 PRO CA C 13 65.134 . . 1 . . 843 . . 61 PRO CA . 19541 3 678 . 1 1 61 61 PRO CD C 13 49.800 0.0 . 1 . . 652 . . 61 PRO CD . 19541 3 679 . 1 1 62 62 GLN H H 1 7.381 0.019 . 1 . . 340 . . 62 GLN H . 19541 3 680 . 1 1 62 62 GLN HA H 1 5.223 0.018 . 1 . . 345 . . 62 GLN HA . 19541 3 681 . 1 1 62 62 GLN HB2 H 1 2.081 0.028 . 1 . . 350 . . 62 GLN HB2 . 19541 3 682 . 1 1 62 62 GLN HB3 H 1 2.081 0.028 . 1 . . 493 . . 62 GLN HB3 . 19541 3 683 . 1 1 62 62 GLN HG2 H 1 2.320 . . 1 . . 863 . . 62 GLN HG2 . 19541 3 684 . 1 1 62 62 GLN HG3 H 1 2.320 . . 1 . . 868 . . 62 GLN HG3 . 19541 3 685 . 1 1 62 62 GLN HE21 H 1 7.125 0.014 . 1 . . 346 . . 62 GLN HE21 . 19541 3 686 . 1 1 62 62 GLN HE22 H 1 7.974 0.018 . 1 . . 344 . . 62 GLN HE22 . 19541 3 687 . 1 1 62 62 GLN CA C 13 55.784 . . 1 . . 850 . . 62 GLN CA . 19541 3 688 . 1 1 62 62 GLN CB C 13 28.554 . . 1 . . 849 . . 62 GLN CB . 19541 3 689 . 1 1 62 62 GLN N N 15 111.166 0.05 . 1 . . 342 . . 62 GLN N . 19541 3 690 . 1 1 62 62 GLN NE2 N 15 110.580 0.157 . 1 . . 347 . . 62 GLN NE2 . 19541 3 691 . 1 1 63 63 VAL H H 1 8.738 0.011 . 1 . . 49 . . 63 VAL H . 19541 3 692 . 1 1 63 63 VAL HA H 1 4.210 0.013 . 1 . . 174 . . 63 VAL HA . 19541 3 693 . 1 1 63 63 VAL HB H 1 1.568 0.01 . 1 . . 351 . . 63 VAL HB . 19541 3 694 . 1 1 63 63 VAL HG11 H 1 0.926 0.01 . 2 . . 175 . . 63 VAL HG11 . 19541 3 695 . 1 1 63 63 VAL HG12 H 1 0.926 0.01 . 2 . . 175 . . 63 VAL HG12 . 19541 3 696 . 1 1 63 63 VAL HG13 H 1 0.926 0.01 . 2 . . 175 . . 63 VAL HG13 . 19541 3 697 . 1 1 63 63 VAL HG21 H 1 0.875 0.013 . 2 . . 176 . . 63 VAL HG21 . 19541 3 698 . 1 1 63 63 VAL HG22 H 1 0.875 0.013 . 2 . . 176 . . 63 VAL HG22 . 19541 3 699 . 1 1 63 63 VAL HG23 H 1 0.875 0.013 . 2 . . 176 . . 63 VAL HG23 . 19541 3 700 . 1 1 63 63 VAL CA C 13 61.452 . . 1 . . 659 . . 63 VAL CA . 19541 3 701 . 1 1 63 63 VAL CB C 13 36.416 0.021 . 1 . . 662 . . 63 VAL CB . 19541 3 702 . 1 1 63 63 VAL CG1 C 13 22.094 0.024 . 2 . . 661 . . 63 VAL CG1 . 19541 3 703 . 1 1 63 63 VAL CG2 C 13 23.313 0.023 . 2 . . 663 . . 63 VAL CG2 . 19541 3 704 . 1 1 63 63 VAL N N 15 118.169 0.007 . 1 . . 177 . . 63 VAL N . 19541 3 705 . 1 1 64 64 ALA H H 1 8.826 0.009 . 1 . . 170 . . 64 ALA H . 19541 3 706 . 1 1 64 64 ALA HA H 1 4.614 0.012 . 1 . . 173 . . 64 ALA HA . 19541 3 707 . 1 1 64 64 ALA HB1 H 1 1.570 0.008 . 1 . . 115 . . 64 ALA HB1 . 19541 3 708 . 1 1 64 64 ALA HB2 H 1 1.570 0.008 . 1 . . 115 . . 64 ALA HB2 . 19541 3 709 . 1 1 64 64 ALA HB3 H 1 1.570 0.008 . 1 . . 115 . . 64 ALA HB3 . 19541 3 710 . 1 1 64 64 ALA CA C 13 52.414 0.0 . 1 . . 775 . . 64 ALA CA . 19541 3 711 . 1 1 64 64 ALA CB C 13 19.628 0.021 . 1 . . 660 . . 64 ALA CB . 19541 3 712 . 1 1 64 64 ALA N N 15 131.924 0.096 . 1 . . 172 . . 64 ALA N . 19541 3 713 . 1 1 65 65 LEU H H 1 7.849 0.014 . 1 . . 171 . . 65 LEU H . 19541 3 714 . 1 1 65 65 LEU HA H 1 4.762 0.009 . 1 . . 353 . . 65 LEU HA . 19541 3 715 . 1 1 65 65 LEU HD11 H 1 0.703 0.006 . 2 . . 354 . . 65 LEU HD11 . 19541 3 716 . 1 1 65 65 LEU HD12 H 1 0.703 0.006 . 2 . . 354 . . 65 LEU HD12 . 19541 3 717 . 1 1 65 65 LEU HD13 H 1 0.703 0.006 . 2 . . 354 . . 65 LEU HD13 . 19541 3 718 . 1 1 65 65 LEU HD21 H 1 0.403 0.008 . 2 . . 179 . . 65 LEU HD21 . 19541 3 719 . 1 1 65 65 LEU HD22 H 1 0.403 0.008 . 2 . . 179 . . 65 LEU HD22 . 19541 3 720 . 1 1 65 65 LEU HD23 H 1 0.403 0.008 . 2 . . 179 . . 65 LEU HD23 . 19541 3 721 . 1 1 65 65 LEU CA C 13 52.400 . . 1 . . 847 . . 65 LEU CA . 19541 3 722 . 1 1 65 65 LEU CD1 C 13 23.626 0.022 . 2 . . 664 . . 65 LEU CD1 . 19541 3 723 . 1 1 65 65 LEU CD2 C 13 25.642 0.013 . 2 . . 782 . . 65 LEU CD2 . 19541 3 724 . 1 1 65 65 LEU N N 15 121.572 0.021 . 1 . . 178 . . 65 LEU N . 19541 3 725 . 1 1 66 66 ASP H H 1 8.317 0.015 . 1 . . 355 . . 66 ASP H . 19541 3 726 . 1 1 66 66 ASP HA H 1 4.602 0.018 . 1 . . 358 . . 66 ASP HA . 19541 3 727 . 1 1 66 66 ASP HB2 H 1 2.880 0.023 . 1 . . 357 . . 66 ASP HB2 . 19541 3 728 . 1 1 66 66 ASP HB3 H 1 2.880 0.023 . 1 . . 494 . . 66 ASP HB3 . 19541 3 729 . 1 1 66 66 ASP CA C 13 53.494 . . 1 . . 816 . . 66 ASP CA . 19541 3 730 . 1 1 66 66 ASP N N 15 117.903 0.006 . 1 . . 356 . . 66 ASP N . 19541 3 731 . 1 1 67 67 LEU H H 1 7.233 0.019 . 1 . . 203 . . 67 LEU H . 19541 3 732 . 1 1 67 67 LEU HA H 1 4.649 0.006 . 1 . . 784 . . 67 LEU HA . 19541 3 733 . 1 1 67 67 LEU HD11 H 1 0.914 0.002 . 2 . . 434 . . 67 LEU HD11 . 19541 3 734 . 1 1 67 67 LEU HD12 H 1 0.914 0.002 . 2 . . 434 . . 67 LEU HD12 . 19541 3 735 . 1 1 67 67 LEU HD13 H 1 0.914 0.002 . 2 . . 434 . . 67 LEU HD13 . 19541 3 736 . 1 1 67 67 LEU HD21 H 1 1.020 0.006 . 2 . . 472 . . 67 LEU HD21 . 19541 3 737 . 1 1 67 67 LEU HD22 H 1 1.020 0.006 . 2 . . 472 . . 67 LEU HD22 . 19541 3 738 . 1 1 67 67 LEU HD23 H 1 1.020 0.006 . 2 . . 472 . . 67 LEU HD23 . 19541 3 739 . 1 1 67 67 LEU CA C 13 53.000 . . 1 . . 848 . . 67 LEU CA . 19541 3 740 . 1 1 67 67 LEU CD1 C 13 25.954 0.013 . 2 . . 783 . . 67 LEU CD1 . 19541 3 741 . 1 1 67 67 LEU CD2 C 13 23.031 0.013 . 2 . . 785 . . 67 LEU CD2 . 19541 3 742 . 1 1 67 67 LEU N N 15 120.735 0.084 . 1 . . 204 . . 67 LEU N . 19541 3 743 . 1 1 68 68 ASN H H 1 7.670 0.005 . 1 . . 864 . . 68 ASN H . 19541 3 744 . 1 1 68 68 ASN HA H 1 5.115 0.004 . 1 . . 865 . . 68 ASN HA . 19541 3 745 . 1 1 68 68 ASN HD21 H 1 7.251 0.007 . 1 . . 871 . . 68 ASN HD21 . 19541 3 746 . 1 1 68 68 ASN HD22 H 1 4.136 0.005 . 1 . . 872 . . 68 ASN HD22 . 19541 3 747 . 1 1 68 68 ASN CA C 13 52.684 . . 1 . . 860 . . 68 ASN CA . 19541 3 748 . 1 1 68 68 ASN N N 15 117.429 0.123 . 1 . . 859 . . 68 ASN N . 19541 3 749 . 1 1 68 68 ASN ND2 N 15 114.985 . . 1 . . 873 . . 68 ASN ND2 . 19541 3 750 . 1 1 69 69 PHE H H 1 7.853 0.024 . 1 . . 234 . . 69 PHE H . 19541 3 751 . 1 1 69 69 PHE HA H 1 5.045 . . 1 . . 361 . . 69 PHE HA . 19541 3 752 . 1 1 69 69 PHE HB2 H 1 2.926 . . 1 . . 978 . . 69 PHE HB2 . 19541 3 753 . 1 1 69 69 PHE HB3 H 1 2.926 . . 1 . . 980 . . 69 PHE HB3 . 19541 3 754 . 1 1 69 69 PHE HD1 H 1 6.445 0.018 . 3 . . 470 . . 69 PHE HD1 . 19541 3 755 . 1 1 69 69 PHE HD2 H 1 6.445 0.018 . 3 . . 470 . . 69 PHE HD2 . 19541 3 756 . 1 1 69 69 PHE HE1 H 1 6.824 0.012 . 3 . . 359 . . 69 PHE HE1 . 19541 3 757 . 1 1 69 69 PHE HE2 H 1 6.824 0.012 . 3 . . 359 . . 69 PHE HE2 . 19541 3 758 . 1 1 69 69 PHE HZ H 1 6.621 0.013 . 1 . . 772 . . 69 PHE HZ . 19541 3 759 . 1 1 69 69 PHE CD1 C 13 132.371 . . 3 . . 770 . . 69 PHE CD1 . 19541 3 760 . 1 1 69 69 PHE CD2 C 13 132.371 . . 3 . . 770 . . 69 PHE CD2 . 19541 3 761 . 1 1 69 69 PHE CE1 C 13 129.956 0.09 . 3 . . 774 . . 69 PHE CE1 . 19541 3 762 . 1 1 69 69 PHE CE2 C 13 129.956 0.09 . 3 . . 774 . . 69 PHE CE2 . 19541 3 763 . 1 1 69 69 PHE CZ C 13 129.141 0.0 . 1 . . 773 . . 69 PHE CZ . 19541 3 764 . 1 1 69 69 PHE N N 15 114.068 0.083 . 1 . . 360 . . 69 PHE N . 19541 3 765 . 1 1 70 70 SER H H 1 10.606 0.006 . 1 . . 866 . . 70 SER H . 19541 3 766 . 1 1 70 70 SER HA H 1 4.866 0.01 . 1 . . 815 . . 70 SER HA . 19541 3 767 . 1 1 70 70 SER HB2 H 1 3.904 0.006 . 2 . . 365 . . 70 SER HB2 . 19541 3 768 . 1 1 70 70 SER HB3 H 1 4.107 0.009 . 2 . . 495 . . 70 SER HB3 . 19541 3 769 . 1 1 70 70 SER CA C 13 55.759 0.0 . 1 . . 832 . . 70 SER CA . 19541 3 770 . 1 1 70 70 SER CB C 13 66.684 0.0 . 1 . . 699 . . 70 SER CB . 19541 3 771 . 1 1 70 70 SER N N 15 118.421 . . 1 . . 861 . . 70 SER N . 19541 3 772 . 1 1 71 71 LYS H H 1 8.499 0.02 . 1 . . 362 . . 71 LYS H . 19541 3 773 . 1 1 71 71 LYS HA H 1 4.036 0.007 . 1 . . 363 . . 71 LYS HA . 19541 3 774 . 1 1 71 71 LYS HB2 H 1 1.826 0.005 . 1 . . 366 . . 71 LYS HB2 . 19541 3 775 . 1 1 71 71 LYS HB3 H 1 1.826 0.005 . 1 . . 496 . . 71 LYS HB3 . 19541 3 776 . 1 1 71 71 LYS HG2 H 1 1.455 0.006 . 1 . . 367 . . 71 LYS HG2 . 19541 3 777 . 1 1 71 71 LYS HG3 H 1 1.455 0.006 . 1 . . 497 . . 71 LYS HG3 . 19541 3 778 . 1 1 71 71 LYS CA C 13 58.834 . . 1 . . 719 . . 71 LYS CA . 19541 3 779 . 1 1 71 71 LYS CB C 13 32.545 0.011 . 1 . . 665 . . 71 LYS CB . 19541 3 780 . 1 1 71 71 LYS CG C 13 24.859 . . 1 . . 802 . . 71 LYS CG . 19541 3 781 . 1 1 71 71 LYS N N 15 116.850 0.018 . 1 . . 364 . . 71 LYS N . 19541 3 782 . 1 1 72 72 GLY H H 1 8.426 0.014 . 1 . . 368 . . 72 GLY H . 19541 3 783 . 1 1 72 72 GLY HA3 H 1 4.071 0.003 . 1 . . 498 . . 72 GLY HA3 . 19541 3 784 . 1 1 72 72 GLY N N 15 106.193 0.004 . 1 . . 369 . . 72 GLY N . 19541 3 785 . 1 1 73 73 ASP H H 1 8.191 0.02 . 1 . . 371 . . 73 ASP H . 19541 3 786 . 1 1 73 73 ASP N N 15 121.581 0.03 . 1 . . 372 . . 73 ASP N . 19541 3 787 . 1 1 74 74 ARG H H 1 8.806 0.025 . 1 . . 222 . . 74 ARG H . 19541 3 788 . 1 1 74 74 ARG HA H 1 4.781 0.005 . 1 . . 825 . . 74 ARG HA . 19541 3 789 . 1 1 74 74 ARG HB2 H 1 1.819 0.013 . 2 . . 228 . . 74 ARG HB2 . 19541 3 790 . 1 1 74 74 ARG HB3 H 1 1.819 0.013 . 2 . . 499 . . 74 ARG HB3 . 19541 3 791 . 1 1 74 74 ARG HG2 H 1 1.611 0.018 . 2 . . 230 . . 74 ARG HG2 . 19541 3 792 . 1 1 74 74 ARG HG3 H 1 1.671 0.01 . 2 . . 229 . . 74 ARG HG3 . 19541 3 793 . 1 1 74 74 ARG HD2 H 1 3.209 0.012 . 2 . . 227 . . 74 ARG HD2 . 19541 3 794 . 1 1 74 74 ARG HD3 H 1 3.259 0.016 . 2 . . 226 . . 74 ARG HD3 . 19541 3 795 . 1 1 74 74 ARG HE H 1 7.287 0.002 . 1 . . 224 . . 74 ARG HE . 19541 3 796 . 1 1 74 74 ARG CA C 13 54.900 . . 1 . . 830 . . 74 ARG CA . 19541 3 797 . 1 1 74 74 ARG CB C 13 29.919 0.019 . 1 . . 532 . . 74 ARG CB . 19541 3 798 . 1 1 74 74 ARG CG C 13 26.794 0.057 . 1 . . 531 . . 74 ARG CG . 19541 3 799 . 1 1 74 74 ARG CD C 13 43.312 0.014 . 1 . . 530 . . 74 ARG CD . 19541 3 800 . 1 1 74 74 ARG N N 15 125.248 0.059 . 1 . . 223 . . 74 ARG N . 19541 3 801 . 1 1 74 74 ARG NE N 15 117.906 . . 1 . . 225 . . 74 ARG NE . 19541 3 802 . 1 1 75 75 ILE H H 1 8.304 0.02 . 1 . . 78 . . 75 ILE H . 19541 3 803 . 1 1 75 75 ILE HA H 1 5.138 0.012 . 1 . . 129 . . 75 ILE HA . 19541 3 804 . 1 1 75 75 ILE HB H 1 1.196 0.013 . 1 . . 373 . . 75 ILE HB . 19541 3 805 . 1 1 75 75 ILE HG12 H 1 0.707 0.006 . 2 . . 512 . . 75 ILE HG12 . 19541 3 806 . 1 1 75 75 ILE HG13 H 1 0.707 0.004 . 2 . . 513 . . 75 ILE HG13 . 19541 3 807 . 1 1 75 75 ILE HG21 H 1 0.325 0.011 . 1 . . 79 . . 75 ILE HG21 . 19541 3 808 . 1 1 75 75 ILE HG22 H 1 0.325 0.011 . 1 . . 79 . . 75 ILE HG22 . 19541 3 809 . 1 1 75 75 ILE HG23 H 1 0.325 0.011 . 1 . . 79 . . 75 ILE HG23 . 19541 3 810 . 1 1 75 75 ILE HD11 H 1 -0.137 0.016 . 1 . . 46 . . 75 ILE HD11 . 19541 3 811 . 1 1 75 75 ILE HD12 H 1 -0.137 0.016 . 1 . . 46 . . 75 ILE HD12 . 19541 3 812 . 1 1 75 75 ILE HD13 H 1 -0.137 0.016 . 1 . . 46 . . 75 ILE HD13 . 19541 3 813 . 1 1 75 75 ILE CA C 13 58.067 0.0 . 1 . . 515 . . 75 ILE CA . 19541 3 814 . 1 1 75 75 ILE CB C 13 42.101 0.026 . 1 . . 529 . . 75 ILE CB . 19541 3 815 . 1 1 75 75 ILE CG1 C 13 25.323 0.025 . 1 . . 528 . . 75 ILE CG1 . 19541 3 816 . 1 1 75 75 ILE CG2 C 13 18.243 0.024 . 1 . . 509 . . 75 ILE CG2 . 19541 3 817 . 1 1 75 75 ILE CD1 C 13 12.551 0.019 . 1 . . 508 . . 75 ILE CD1 . 19541 3 818 . 1 1 75 75 ILE N N 15 117.390 0.017 . 1 . . 80 . . 75 ILE N . 19541 3 819 . 1 1 76 76 MET H H 1 7.988 0.017 . 1 . . 45 . . 76 MET H . 19541 3 820 . 1 1 76 76 MET HA H 1 4.953 0.016 . 1 . . 374 . . 76 MET HA . 19541 3 821 . 1 1 76 76 MET HB2 H 1 1.995 0.018 . 2 . . 380 . . 76 MET HB2 . 19541 3 822 . 1 1 76 76 MET HB3 H 1 1.995 0.018 . 2 . . 500 . . 76 MET HB3 . 19541 3 823 . 1 1 76 76 MET HG2 H 1 2.361 0.008 . 2 . . 379 . . 76 MET HG2 . 19541 3 824 . 1 1 76 76 MET HG3 H 1 2.428 0.017 . 2 . . 501 . . 76 MET HG3 . 19541 3 825 . 1 1 76 76 MET HE1 H 1 1.929 0.014 . 1 . . 625 . . 76 MET HE1 . 19541 3 826 . 1 1 76 76 MET HE2 H 1 1.929 0.014 . 1 . . 625 . . 76 MET HE2 . 19541 3 827 . 1 1 76 76 MET HE3 H 1 1.929 0.014 . 1 . . 625 . . 76 MET HE3 . 19541 3 828 . 1 1 76 76 MET CA C 13 54.184 0.0 . 1 . . 789 . . 76 MET CA . 19541 3 829 . 1 1 76 76 MET CB C 13 37.190 0.017 . 1 . . 668 . . 76 MET CB . 19541 3 830 . 1 1 76 76 MET CG C 13 31.012 0.024 . 1 . . 669 . . 76 MET CG . 19541 3 831 . 1 1 76 76 MET CE C 13 16.973 0.047 . 1 . . 670 . . 76 MET CE . 19541 3 832 . 1 1 76 76 MET N N 15 120.494 0.075 . 1 . . 47 . . 76 MET N . 19541 3 833 . 1 1 77 77 PHE H H 1 8.192 0.025 . 1 . . 375 . . 77 PHE H . 19541 3 834 . 1 1 77 77 PHE HA H 1 5.850 0.014 . 1 . . 220 . . 77 PHE HA . 19541 3 835 . 1 1 77 77 PHE HB2 H 1 2.741 0.02 . 2 . . 384 . . 77 PHE HB2 . 19541 3 836 . 1 1 77 77 PHE HB3 H 1 3.216 0.022 . 2 . . 378 . . 77 PHE HB3 . 19541 3 837 . 1 1 77 77 PHE HD1 H 1 7.103 0.012 . 3 . . 221 . . 77 PHE HD1 . 19541 3 838 . 1 1 77 77 PHE HD2 H 1 7.103 0.012 . 3 . . 221 . . 77 PHE HD2 . 19541 3 839 . 1 1 77 77 PHE HE1 H 1 6.825 0.012 . 3 . . 694 . . 77 PHE HE1 . 19541 3 840 . 1 1 77 77 PHE HE2 H 1 6.825 0.012 . 3 . . 694 . . 77 PHE HE2 . 19541 3 841 . 1 1 77 77 PHE HZ H 1 6.885 . . 1 . . 867 . . 77 PHE HZ . 19541 3 842 . 1 1 77 77 PHE CA C 13 56.064 . . 1 . . 717 . . 77 PHE CA . 19541 3 843 . 1 1 77 77 PHE CB C 13 44.374 . . 1 . . 715 . . 77 PHE CB . 19541 3 844 . 1 1 77 77 PHE CD1 C 13 131.291 0.001 . 3 . . 713 . . 77 PHE CD1 . 19541 3 845 . 1 1 77 77 PHE CD2 C 13 131.291 0.001 . 3 . . 713 . . 77 PHE CD2 . 19541 3 846 . 1 1 77 77 PHE CE1 C 13 129.931 0.064 . 3 . . 716 . . 77 PHE CE1 . 19541 3 847 . 1 1 77 77 PHE CE2 C 13 129.931 0.064 . 3 . . 716 . . 77 PHE CE2 . 19541 3 848 . 1 1 77 77 PHE N N 15 120.195 0.147 . 1 . . 376 . . 77 PHE N . 19541 3 849 . 1 1 78 78 TYR H H 1 8.573 0.019 . 1 . . 218 . . 78 TYR H . 19541 3 850 . 1 1 78 78 TYR HA H 1 5.218 0.019 . 1 . . 383 . . 78 TYR HA . 19541 3 851 . 1 1 78 78 TYR HB2 H 1 2.062 0.018 . 2 . . 385 . . 78 TYR HB2 . 19541 3 852 . 1 1 78 78 TYR HB3 H 1 2.908 0.02 . 2 . . 502 . . 78 TYR HB3 . 19541 3 853 . 1 1 78 78 TYR HD1 H 1 6.728 0.015 . 3 . . 208 . . 78 TYR HD1 . 19541 3 854 . 1 1 78 78 TYR HD2 H 1 6.728 0.015 . 3 . . 208 . . 78 TYR HD2 . 19541 3 855 . 1 1 78 78 TYR HE1 H 1 6.381 0.014 . 3 . . 382 . . 78 TYR HE1 . 19541 3 856 . 1 1 78 78 TYR HE2 H 1 6.381 0.014 . 3 . . 382 . . 78 TYR HE2 . 19541 3 857 . 1 1 78 78 TYR CA C 13 57.334 . . 1 . . 828 . . 78 TYR CA . 19541 3 858 . 1 1 78 78 TYR CD1 C 13 133.451 0.0 . 3 . . 706 . . 78 TYR CD1 . 19541 3 859 . 1 1 78 78 TYR CD2 C 13 133.451 0.0 . 3 . . 706 . . 78 TYR CD2 . 19541 3 860 . 1 1 78 78 TYR CE1 C 13 117.367 0.0 . 3 . . 707 . . 78 TYR CE1 . 19541 3 861 . 1 1 78 78 TYR CE2 C 13 117.367 0.0 . 3 . . 707 . . 78 TYR CE2 . 19541 3 862 . 1 1 78 78 TYR N N 15 115.821 0.006 . 1 . . 219 . . 78 TYR N . 19541 3 863 . 1 1 79 79 THR H H 1 10.284 0.022 . 1 . . 207 . . 79 THR H . 19541 3 864 . 1 1 79 79 THR HA H 1 6.177 0.011 . 1 . . 389 . . 79 THR HA . 19541 3 865 . 1 1 79 79 THR HB H 1 4.133 0.012 . 1 . . 387 . . 79 THR HB . 19541 3 866 . 1 1 79 79 THR HG1 H 1 5.918 0.003 . 1 . . 672 . . 79 THR HG1 . 19541 3 867 . 1 1 79 79 THR HG21 H 1 1.071 0.01 . 1 . . 388 . . 79 THR HG21 . 19541 3 868 . 1 1 79 79 THR HG22 H 1 1.071 0.01 . 1 . . 388 . . 79 THR HG22 . 19541 3 869 . 1 1 79 79 THR HG23 H 1 1.071 0.01 . 1 . . 388 . . 79 THR HG23 . 19541 3 870 . 1 1 79 79 THR CA C 13 58.528 0.0 . 1 . . 776 . . 79 THR CA . 19541 3 871 . 1 1 79 79 THR CB C 13 72.220 . . 1 . . 671 . . 79 THR CB . 19541 3 872 . 1 1 79 79 THR CG2 C 13 22.246 0.02 . 1 . . 673 . . 79 THR CG2 . 19541 3 873 . 1 1 79 79 THR N N 15 110.924 0.051 . 1 . . 209 . . 79 THR N . 19541 3 874 . 1 1 80 80 ALA H H 1 9.214 0.028 . 1 . . 82 . . 80 ALA H . 19541 3 875 . 1 1 80 80 ALA HA H 1 5.101 0.007 . 1 . . 83 . . 80 ALA HA . 19541 3 876 . 1 1 80 80 ALA HB1 H 1 1.688 0.006 . 1 . . 85 . . 80 ALA HB1 . 19541 3 877 . 1 1 80 80 ALA HB2 H 1 1.688 0.006 . 1 . . 85 . . 80 ALA HB2 . 19541 3 878 . 1 1 80 80 ALA HB3 H 1 1.688 0.006 . 1 . . 85 . . 80 ALA HB3 . 19541 3 879 . 1 1 80 80 ALA CA C 13 50.990 . . 1 . . 674 . . 80 ALA CA . 19541 3 880 . 1 1 80 80 ALA CB C 13 23.166 0.024 . 1 . . 675 . . 80 ALA CB . 19541 3 881 . 1 1 80 80 ALA N N 15 121.972 0.155 . 1 . . 84 . . 80 ALA N . 19541 3 882 . 1 1 81 81 GLY H H 1 8.981 0.01 . 1 . . 86 . . 81 GLY H . 19541 3 883 . 1 1 81 81 GLY HA2 H 1 5.069 0.011 . 2 . . 87 . . 81 GLY HA2 . 19541 3 884 . 1 1 81 81 GLY HA3 H 1 3.879 0.004 . 2 . . 390 . . 81 GLY HA3 . 19541 3 885 . 1 1 81 81 GLY CA C 13 44.033 0.08 . 1 . . 791 . . 81 GLY CA . 19541 3 886 . 1 1 81 81 GLY N N 15 111.692 0.193 . 1 . . 88 . . 81 GLY N . 19541 3 887 . 1 1 82 82 ASP H H 1 8.668 0.016 . 1 . . 62 . . 82 ASP H . 19541 3 888 . 1 1 82 82 ASP HB2 H 1 2.616 0.001 . 2 . . 394 . . 82 ASP HB2 . 19541 3 889 . 1 1 82 82 ASP HB3 H 1 2.840 0.0 . 2 . . 393 . . 82 ASP HB3 . 19541 3 890 . 1 1 82 82 ASP CB C 13 42.990 . . 1 . . 676 . . 82 ASP CB . 19541 3 891 . 1 1 82 82 ASP N N 15 115.099 0.087 . 1 . . 392 . . 82 ASP N . 19541 3 892 . 1 1 83 83 ALA H H 1 7.840 0.02 . 1 . . 56 . . 83 ALA H . 19541 3 893 . 1 1 83 83 ALA HA H 1 4.898 0.018 . 1 . . 98 . . 83 ALA HA . 19541 3 894 . 1 1 83 83 ALA HB1 H 1 1.141 0.006 . 1 . . 97 . . 83 ALA HB1 . 19541 3 895 . 1 1 83 83 ALA HB2 H 1 1.141 0.006 . 1 . . 97 . . 83 ALA HB2 . 19541 3 896 . 1 1 83 83 ALA HB3 H 1 1.141 0.006 . 1 . . 97 . . 83 ALA HB3 . 19541 3 897 . 1 1 83 83 ALA CA C 13 52.334 . . 1 . . 822 . . 83 ALA CA . 19541 3 898 . 1 1 83 83 ALA CB C 13 21.169 0.024 . 1 . . 564 . . 83 ALA CB . 19541 3 899 . 1 1 83 83 ALA N N 15 122.618 0.037 . 1 . . 63 . . 83 ALA N . 19541 3 900 . 1 1 84 84 SER H H 1 8.736 0.015 . 1 . . 31 . . 84 SER H . 19541 3 901 . 1 1 84 84 SER HA H 1 4.712 0.013 . 1 . . 298 . . 84 SER HA . 19541 3 902 . 1 1 84 84 SER HB2 H 1 4.097 0.023 . 1 . . 99 . . 84 SER HB2 . 19541 3 903 . 1 1 84 84 SER HB3 H 1 4.097 0.023 . 1 . . 503 . . 84 SER HB3 . 19541 3 904 . 1 1 84 84 SER CA C 13 57.800 . . 1 . . 821 . . 84 SER CA . 19541 3 905 . 1 1 84 84 SER CB C 13 64.528 . . 1 . . 575 . . 84 SER CB . 19541 3 906 . 1 1 84 84 SER N N 15 115.784 0.069 . 1 . . 55 . . 84 SER N . 19541 3 907 . 1 1 85 85 VAL H H 1 7.867 0.015 . 1 . . 18 . . 85 VAL H . 19541 3 908 . 1 1 85 85 VAL HA H 1 5.486 0.018 . 1 . . 25 . . 85 VAL HA . 19541 3 909 . 1 1 85 85 VAL HB H 1 2.042 0.012 . 1 . . 29 . . 85 VAL HB . 19541 3 910 . 1 1 85 85 VAL HG11 H 1 0.564 0.015 . 2 . . 108 . . 85 VAL HG11 . 19541 3 911 . 1 1 85 85 VAL HG12 H 1 0.564 0.015 . 2 . . 108 . . 85 VAL HG12 . 19541 3 912 . 1 1 85 85 VAL HG13 H 1 0.564 0.015 . 2 . . 108 . . 85 VAL HG13 . 19541 3 913 . 1 1 85 85 VAL HG21 H 1 0.646 0.015 . 2 . . 113 . . 85 VAL HG21 . 19541 3 914 . 1 1 85 85 VAL HG22 H 1 0.646 0.015 . 2 . . 113 . . 85 VAL HG22 . 19541 3 915 . 1 1 85 85 VAL HG23 H 1 0.646 0.015 . 2 . . 113 . . 85 VAL HG23 . 19541 3 916 . 1 1 85 85 VAL CA C 13 58.221 . . 1 . . 581 . . 85 VAL CA . 19541 3 917 . 1 1 85 85 VAL CB C 13 36.221 . . 1 . . 584 . . 85 VAL CB . 19541 3 918 . 1 1 85 85 VAL CG1 C 13 21.724 0.1 . 2 . . 582 . . 85 VAL CG1 . 19541 3 919 . 1 1 85 85 VAL CG2 C 13 20.088 0.024 . 2 . . 765 . . 85 VAL CG2 . 19541 3 920 . 1 1 85 85 VAL N N 15 111.419 0.048 . 1 . . 26 . . 85 VAL N . 19541 3 921 . 1 1 86 86 SER H H 1 9.016 0.02 . 1 . . 27 . . 86 SER H . 19541 3 922 . 1 1 86 86 SER HA H 1 5.575 0.015 . 1 . . 15 . . 86 SER HA . 19541 3 923 . 1 1 86 86 SER HB2 H 1 4.270 . . 1 . . 1105 . . 86 SER HB2 . 19541 3 924 . 1 1 86 86 SER HB3 H 1 4.270 . . 1 . . 1106 . . 86 SER HB3 . 19541 3 925 . 1 1 86 86 SER HG H 1 6.161 . . 1 . . 869 . . 86 SER HG . 19541 3 926 . 1 1 86 86 SER CA C 13 58.264 . . 1 . . 517 . . 86 SER CA . 19541 3 927 . 1 1 86 86 SER N N 15 115.810 0.024 . 1 . . 28 . . 86 SER N . 19541 3 928 . 1 1 87 87 LEU H H 1 9.427 0.017 . 1 . . 23 . . 87 LEU H . 19541 3 929 . 1 1 87 87 LEU HA H 1 5.162 0.015 . 1 . . 32 . . 87 LEU HA . 19541 3 930 . 1 1 87 87 LEU HB2 H 1 1.759 0.005 . 2 . . 33 . . 87 LEU HB2 . 19541 3 931 . 1 1 87 87 LEU HB3 H 1 1.453 0.007 . 2 . . 35 . . 87 LEU HB3 . 19541 3 932 . 1 1 87 87 LEU HG H 1 1.441 0.006 . 1 . . 34 . . 87 LEU HG . 19541 3 933 . 1 1 87 87 LEU HD11 H 1 0.511 0.008 . 2 . . 101 . . 87 LEU HD11 . 19541 3 934 . 1 1 87 87 LEU HD12 H 1 0.511 0.008 . 2 . . 101 . . 87 LEU HD12 . 19541 3 935 . 1 1 87 87 LEU HD13 H 1 0.511 0.008 . 2 . . 101 . . 87 LEU HD13 . 19541 3 936 . 1 1 87 87 LEU HD21 H 1 0.388 0.006 . 2 . . 102 . . 87 LEU HD21 . 19541 3 937 . 1 1 87 87 LEU HD22 H 1 0.388 0.006 . 2 . . 102 . . 87 LEU HD22 . 19541 3 938 . 1 1 87 87 LEU HD23 H 1 0.388 0.006 . 2 . . 102 . . 87 LEU HD23 . 19541 3 939 . 1 1 87 87 LEU CA C 13 53.914 0.0 . 1 . . 617 . . 87 LEU CA . 19541 3 940 . 1 1 87 87 LEU CB C 13 44.928 0.061 . 1 . . 606 . . 87 LEU CB . 19541 3 941 . 1 1 87 87 LEU CG C 13 27.394 0.097 . 1 . . 604 . . 87 LEU CG . 19541 3 942 . 1 1 87 87 LEU CD1 C 13 25.474 0.025 . 2 . . 605 . . 87 LEU CD1 . 19541 3 943 . 1 1 87 87 LEU CD2 C 13 24.781 0.052 . 2 . . 769 . . 87 LEU CD2 . 19541 3 944 . 1 1 87 87 LEU N N 15 127.310 0.066 . 1 . . 24 . . 87 LEU N . 19541 3 945 . 1 1 88 88 LEU H H 1 8.422 0.011 . 1 . . 36 . . 88 LEU H . 19541 3 946 . 1 1 88 88 LEU HA H 1 5.133 0.013 . 1 . . 296 . . 88 LEU HA . 19541 3 947 . 1 1 88 88 LEU HG H 1 1.768 0.007 . 1 . . 621 . . 88 LEU HG . 19541 3 948 . 1 1 88 88 LEU HD11 H 1 0.944 0.007 . 2 . . 315 . . 88 LEU HD11 . 19541 3 949 . 1 1 88 88 LEU HD12 H 1 0.944 0.007 . 2 . . 315 . . 88 LEU HD12 . 19541 3 950 . 1 1 88 88 LEU HD13 H 1 0.944 0.007 . 2 . . 315 . . 88 LEU HD13 . 19541 3 951 . 1 1 88 88 LEU HD21 H 1 1.023 0.01 . 2 . . 316 . . 88 LEU HD21 . 19541 3 952 . 1 1 88 88 LEU HD22 H 1 1.023 0.01 . 2 . . 316 . . 88 LEU HD22 . 19541 3 953 . 1 1 88 88 LEU HD23 H 1 1.023 0.01 . 2 . . 316 . . 88 LEU HD23 . 19541 3 954 . 1 1 88 88 LEU CA C 13 53.144 . . 1 . . 618 . . 88 LEU CA . 19541 3 955 . 1 1 88 88 LEU CG C 13 27.323 0.025 . 1 . . 622 . . 88 LEU CG . 19541 3 956 . 1 1 88 88 LEU CD1 C 13 24.493 0.099 . 2 . . 623 . . 88 LEU CD1 . 19541 3 957 . 1 1 88 88 LEU CD2 C 13 27.043 0.047 . 2 . . 786 . . 88 LEU CD2 . 19541 3 958 . 1 1 88 88 LEU N N 15 120.259 0.009 . 1 . . 297 . . 88 LEU N . 19541 3 959 . 1 1 89 89 GLY H H 1 8.564 0.024 . 1 . . 2 . . 89 GLY H . 19541 3 960 . 1 1 89 89 GLY HA2 H 1 4.044 0.019 . 1 . . 314 . . 89 GLY HA2 . 19541 3 961 . 1 1 89 89 GLY HA3 H 1 4.044 0.019 . 1 . . 504 . . 89 GLY HA3 . 19541 3 962 . 1 1 89 89 GLY N N 15 107.444 0.092 . 1 . . 313 . . 89 GLY N . 19541 3 963 . 1 1 90 90 TYR H H 1 8.617 0.004 . 1 . . 466 . . 90 TYR H . 19541 3 964 . 1 1 90 90 TYR HA H 1 5.551 0.015 . 1 . . 295 . . 90 TYR HA . 19541 3 965 . 1 1 90 90 TYR HB3 H 1 2.921 . . 1 . . 928 . . 90 TYR HB3 . 19541 3 966 . 1 1 90 90 TYR HD1 H 1 6.821 0.014 . 3 . . 468 . . 90 TYR HD1 . 19541 3 967 . 1 1 90 90 TYR HD2 H 1 6.821 0.014 . 3 . . 468 . . 90 TYR HD2 . 19541 3 968 . 1 1 90 90 TYR HE1 H 1 6.426 . . 3 . . 1098 . . 90 TYR HE1 . 19541 3 969 . 1 1 90 90 TYR HE2 H 1 6.426 . . 3 . . 1098 . . 90 TYR HE2 . 19541 3 970 . 1 1 90 90 TYR CA C 13 54.884 . . 1 . . 819 . . 90 TYR CA . 19541 3 971 . 1 1 90 90 TYR CD1 C 13 134.200 0.037 . 3 . . 814 . . 90 TYR CD1 . 19541 3 972 . 1 1 90 90 TYR CD2 C 13 134.200 0.037 . 3 . . 814 . . 90 TYR CD2 . 19541 3 973 . 1 1 90 90 TYR N N 15 118.687 0.0 . 1 . . 467 . . 90 TYR N . 19541 3 974 . 1 1 91 91 LEU H H 1 9.357 0.02 . 1 . . 293 . . 91 LEU H . 19541 3 975 . 1 1 91 91 LEU HA H 1 4.651 0.018 . 1 . . 777 . . 91 LEU HA . 19541 3 976 . 1 1 91 91 LEU HB2 H 1 1.799 0.01 . 1 . . 290 . . 91 LEU HB2 . 19541 3 977 . 1 1 91 91 LEU HB3 H 1 1.799 0.01 . 1 . . 505 . . 91 LEU HB3 . 19541 3 978 . 1 1 91 91 LEU HG H 1 1.784 0.009 . 1 . . 619 . . 91 LEU HG . 19541 3 979 . 1 1 91 91 LEU HD11 H 1 0.965 0.005 . 2 . . 292 . . 91 LEU HD11 . 19541 3 980 . 1 1 91 91 LEU HD12 H 1 0.965 0.005 . 2 . . 292 . . 91 LEU HD12 . 19541 3 981 . 1 1 91 91 LEU HD13 H 1 0.965 0.005 . 2 . . 292 . . 91 LEU HD13 . 19541 3 982 . 1 1 91 91 LEU HD21 H 1 1.069 0.003 . 2 . . 291 . . 91 LEU HD21 . 19541 3 983 . 1 1 91 91 LEU HD22 H 1 1.069 0.003 . 2 . . 291 . . 91 LEU HD22 . 19541 3 984 . 1 1 91 91 LEU HD23 H 1 1.069 0.003 . 2 . . 291 . . 91 LEU HD23 . 19541 3 985 . 1 1 91 91 LEU CG C 13 27.298 . . 1 . . 620 . . 91 LEU CG . 19541 3 986 . 1 1 91 91 LEU CD1 C 13 23.622 0.019 . 2 . . 602 . . 91 LEU CD1 . 19541 3 987 . 1 1 91 91 LEU CD2 C 13 26.087 0.032 . 2 . . 603 . . 91 LEU CD2 . 19541 3 988 . 1 1 91 91 LEU N N 15 118.950 0.003 . 1 . . 294 . . 91 LEU N . 19541 3 989 . 1 1 92 92 HIS H H 1 7.905 0.018 . 1 . . 287 . . 92 HIS H . 19541 3 990 . 1 1 92 92 HIS HA H 1 4.676 0.008 . 1 . . 284 . . 92 HIS HA . 19541 3 991 . 1 1 92 92 HIS HB2 H 1 2.791 0.012 . 2 . . 289 . . 92 HIS HB2 . 19541 3 992 . 1 1 92 92 HIS HB3 H 1 2.999 0.011 . 2 . . 285 . . 92 HIS HB3 . 19541 3 993 . 1 1 92 92 HIS HD2 H 1 6.885 0.015 . 1 . . 598 . . 92 HIS HD2 . 19541 3 994 . 1 1 92 92 HIS CA C 13 55.606 0.0 . 1 . . 600 . . 92 HIS CA . 19541 3 995 . 1 1 92 92 HIS CB C 13 30.800 0.057 . 1 . . 601 . . 92 HIS CB . 19541 3 996 . 1 1 92 92 HIS CD2 C 13 117.907 0.0 . 1 . . 722 . . 92 HIS CD2 . 19541 3 997 . 1 1 92 92 HIS N N 15 117.035 0.136 . 1 . . 288 . . 92 HIS N . 19541 3 998 . 1 1 93 93 ASP H H 1 8.446 0.016 . 1 . . 282 . . 93 ASP H . 19541 3 999 . 1 1 93 93 ASP HA H 1 4.567 0.005 . 1 . . 279 . . 93 ASP HA . 19541 3 1000 . 1 1 93 93 ASP HB2 H 1 2.499 0.008 . 2 . . 281 . . 93 ASP HB2 . 19541 3 1001 . 1 1 93 93 ASP HB3 H 1 2.702 0.011 . 2 . . 280 . . 93 ASP HB3 . 19541 3 1002 . 1 1 93 93 ASP CA C 13 54.067 0.0 . 1 . . 599 . . 93 ASP CA . 19541 3 1003 . 1 1 93 93 ASP CB C 13 41.455 0.01 . 1 . . 590 . . 93 ASP CB . 19541 3 1004 . 1 1 93 93 ASP N N 15 120.517 0.013 . 1 . . 283 . . 93 ASP N . 19541 3 1005 . 1 1 94 94 ILE H H 1 8.118 0.017 . 1 . . 148 . . 94 ILE H . 19541 3 1006 . 1 1 94 94 ILE HA H 1 4.158 0.005 . 1 . . 164 . . 94 ILE HA . 19541 3 1007 . 1 1 94 94 ILE HB H 1 1.849 0.006 . 1 . . 166 . . 94 ILE HB . 19541 3 1008 . 1 1 94 94 ILE HG12 H 1 1.340 0.004 . 2 . . 167 . . 94 ILE HG12 . 19541 3 1009 . 1 1 94 94 ILE HG13 H 1 1.084 0.006 . 2 . . 168 . . 94 ILE HG13 . 19541 3 1010 . 1 1 94 94 ILE HG21 H 1 0.813 0.004 . 1 . . 263 . . 94 ILE HG21 . 19541 3 1011 . 1 1 94 94 ILE HG22 H 1 0.813 0.004 . 1 . . 263 . . 94 ILE HG22 . 19541 3 1012 . 1 1 94 94 ILE HG23 H 1 0.813 0.004 . 1 . . 263 . . 94 ILE HG23 . 19541 3 1013 . 1 1 94 94 ILE HD11 H 1 0.789 0.011 . 1 . . 169 . . 94 ILE HD11 . 19541 3 1014 . 1 1 94 94 ILE HD12 H 1 0.789 0.011 . 1 . . 169 . . 94 ILE HD12 . 19541 3 1015 . 1 1 94 94 ILE HD13 H 1 0.789 0.011 . 1 . . 169 . . 94 ILE HD13 . 19541 3 1016 . 1 1 94 94 ILE CA C 13 60.990 0.0 . 1 . . 524 . . 94 ILE CA . 19541 3 1017 . 1 1 94 94 ILE CB C 13 38.998 0.013 . 1 . . 597 . . 94 ILE CB . 19541 3 1018 . 1 1 94 94 ILE CG1 C 13 26.999 0.012 . 1 . . 588 . . 94 ILE CG1 . 19541 3 1019 . 1 1 94 94 ILE CG2 C 13 17.580 0.051 . 1 . . 586 . . 94 ILE CG2 . 19541 3 1020 . 1 1 94 94 ILE CD1 C 13 13.459 0.013 . 1 . . 585 . . 94 ILE CD1 . 19541 3 1021 . 1 1 94 94 ILE N N 15 119.263 0.111 . 1 . . 165 . . 94 ILE N . 19541 3 1022 . 1 1 95 95 ASP H H 1 8.392 0.015 . 1 . . 147 . . 95 ASP H . 19541 3 1023 . 1 1 95 95 ASP HA H 1 4.634 0.011 . 1 . . 274 . . 95 ASP HA . 19541 3 1024 . 1 1 95 95 ASP HB2 H 1 2.617 0.001 . 2 . . 278 . . 95 ASP HB2 . 19541 3 1025 . 1 1 95 95 ASP HB3 H 1 2.712 0.011 . 2 . . 277 . . 95 ASP HB3 . 19541 3 1026 . 1 1 95 95 ASP CA C 13 54.375 . . 1 . . 589 . . 95 ASP CA . 19541 3 1027 . 1 1 95 95 ASP CB C 13 41.328 0.052 . 1 . . 591 . . 95 ASP CB . 19541 3 1028 . 1 1 95 95 ASP N N 15 122.835 0.054 . 1 . . 149 . . 95 ASP N . 19541 3 1029 . 1 1 96 96 SER H H 1 8.285 0.018 . 1 . . 270 . . 96 SER H . 19541 3 1030 . 1 1 96 96 SER HA H 1 4.400 0.01 . 1 . . 272 . . 96 SER HA . 19541 3 1031 . 1 1 96 96 SER HB2 H 1 3.815 0.012 . 2 . . 276 . . 96 SER HB2 . 19541 3 1032 . 1 1 96 96 SER HB3 H 1 3.896 0.012 . 2 . . 275 . . 96 SER HB3 . 19541 3 1033 . 1 1 96 96 SER CA C 13 58.682 0.0 . 1 . . 592 . . 96 SER CA . 19541 3 1034 . 1 1 96 96 SER CB C 13 63.913 0.0 . 1 . . 593 . . 96 SER CB . 19541 3 1035 . 1 1 96 96 SER N N 15 116.101 0.06 . 1 . . 273 . . 96 SER N . 19541 3 1036 . 1 1 97 97 GLY H H 1 8.458 0.016 . 1 . . 265 . . 97 GLY H . 19541 3 1037 . 1 1 97 97 GLY HA2 H 1 3.961 0.005 . 2 . . 268 . . 97 GLY HA2 . 19541 3 1038 . 1 1 97 97 GLY HA3 H 1 3.961 0.005 . 2 . . 506 . . 97 GLY HA3 . 19541 3 1039 . 1 1 97 97 GLY CA C 13 45.913 . . 1 . . 596 . . 97 GLY CA . 19541 3 1040 . 1 1 97 97 GLY N N 15 110.386 0.045 . 1 . . 271 . . 97 GLY N . 19541 3 1041 . 1 1 98 98 SER H H 1 7.869 0.016 . 1 . . 264 . . 98 SER H . 19541 3 1042 . 1 1 98 98 SER HA H 1 4.263 0.006 . 1 . . 267 . . 98 SER HA . 19541 3 1043 . 1 1 98 98 SER HB2 H 1 3.803 0.009 . 1 . . 269 . . 98 SER HB2 . 19541 3 1044 . 1 1 98 98 SER HB3 H 1 3.803 0.009 . 1 . . 507 . . 98 SER HB3 . 19541 3 1045 . 1 1 98 98 SER CA C 13 59.759 . . 1 . . 594 . . 98 SER CA . 19541 3 1046 . 1 1 98 98 SER CB C 13 64.836 . . 1 . . 595 . . 98 SER CB . 19541 3 1047 . 1 1 98 98 SER N N 15 120.517 0.015 . 1 . . 266 . . 98 SER N . 19541 3 1048 . 2 1 1 1 PHE HA H 1 4.258 . . 1 . . 909 . . 1 PHE HA . 19541 1 1049 . 2 1 1 1 PHE HB2 H 1 3.168 . . 1 . . 910 . . 1 PHE HB2 . 19541 1 1050 . 2 1 1 1 PHE HB3 H 1 3.168 . . 1 . . 911 . . 1 PHE HB3 . 19541 1 1051 . 2 1 3 3 GLY H H 1 8.234 0.001 . 1 . . 904 . . 3 GLY H . 19541 1 1052 . 2 1 3 3 GLY HA2 H 1 3.907 0.01 . 1 . . 902 . . 3 GLY HA2 . 19541 1 1053 . 2 1 3 3 GLY HA3 H 1 3.907 0.01 . 1 . . 903 . . 3 GLY HA3 . 19541 1 1054 . 2 1 49 49 GLN HE21 H 1 6.952 . . 1 . . 878 . . 49 GLN HE21 . 19541 1 1055 . 2 1 49 49 GLN HE22 H 1 7.567 . . 1 . . 1097 . . 49 GLN HE22 . 19541 1 1056 . 2 1 50 50 GLU H H 1 8.117 0.003 . 1 . . 901 . . 50 GLU H . 19541 1 1057 . 2 1 51 51 TYR HA H 1 4.854 . . 1 . . 884 . . 51 TYR HA . 19541 1 1058 . 2 1 51 51 TYR HD1 H 1 6.996 . . 3 . . 885 . . 51 TYR HD1 . 19541 1 1059 . 2 1 51 51 TYR HD2 H 1 6.996 . . 3 . . 885 . . 51 TYR HD2 . 19541 1 1060 . 2 1 51 51 TYR HE1 H 1 6.439 0.009 . 3 . . 886 . . 51 TYR HE1 . 19541 1 1061 . 2 1 51 51 TYR HE2 H 1 6.439 0.009 . 3 . . 886 . . 51 TYR HE2 . 19541 1 1062 . 2 1 52 52 ILE H H 1 8.460 . . 1 . . 914 . . 52 ILE H . 19541 1 1063 . 2 1 52 52 ILE HG21 H 1 0.895 0.003 . 1 . . 913 . . 52 ILE HG21 . 19541 1 1064 . 2 1 52 52 ILE HG22 H 1 0.895 0.003 . 1 . . 913 . . 52 ILE HG22 . 19541 1 1065 . 2 1 52 52 ILE HG23 H 1 0.895 0.003 . 1 . . 913 . . 52 ILE HG23 . 19541 1 1066 . 2 1 52 52 ILE HD11 H 1 0.419 0.004 . 1 . . 912 . . 52 ILE HD11 . 19541 1 1067 . 2 1 52 52 ILE HD12 H 1 0.419 0.004 . 1 . . 912 . . 52 ILE HD12 . 19541 1 1068 . 2 1 52 52 ILE HD13 H 1 0.419 0.004 . 1 . . 912 . . 52 ILE HD13 . 19541 1 1069 . 2 1 53 53 VAL HA H 1 3.899 . . 1 . . 918 . . 53 VAL HA . 19541 1 1070 . 2 1 55 55 THR H H 1 9.167 0.009 . 1 . . 906 . . 55 THR H . 19541 1 1071 . 2 1 55 55 THR HG1 H 1 6.399 0.012 . 1 . . 905 . . 55 THR HG1 . 19541 1 1072 . 2 1 59 59 ALA HB1 H 1 1.468 0.007 . 1 . . 883 . . 59 ALA HB1 . 19541 1 1073 . 2 1 59 59 ALA HB2 H 1 1.468 0.007 . 1 . . 883 . . 59 ALA HB2 . 19541 1 1074 . 2 1 59 59 ALA HB3 H 1 1.468 0.007 . 1 . . 883 . . 59 ALA HB3 . 19541 1 1075 . 2 1 60 60 ILE HG21 H 1 1.093 0.006 . 1 . . 896 . . 60 ILE HG21 . 19541 1 1076 . 2 1 60 60 ILE HG22 H 1 1.093 0.006 . 1 . . 896 . . 60 ILE HG22 . 19541 1 1077 . 2 1 60 60 ILE HG23 H 1 1.093 0.006 . 1 . . 896 . . 60 ILE HG23 . 19541 1 1078 . 2 1 60 60 ILE HD11 H 1 1.088 0.013 . 1 . . 895 . . 60 ILE HD11 . 19541 1 1079 . 2 1 60 60 ILE HD12 H 1 1.088 0.013 . 1 . . 895 . . 60 ILE HD12 . 19541 1 1080 . 2 1 60 60 ILE HD13 H 1 1.088 0.013 . 1 . . 895 . . 60 ILE HD13 . 19541 1 1081 . 2 1 63 63 VAL HA H 1 4.197 0.006 . 1 . . 915 . . 63 VAL HA . 19541 1 1082 . 2 1 63 63 VAL HG11 H 1 0.898 0.015 . 1 . . 916 . . 63 VAL HG11 . 19541 1 1083 . 2 1 63 63 VAL HG12 H 1 0.898 0.015 . 1 . . 916 . . 63 VAL HG12 . 19541 1 1084 . 2 1 63 63 VAL HG13 H 1 0.898 0.015 . 1 . . 916 . . 63 VAL HG13 . 19541 1 1085 . 2 1 63 63 VAL HG21 H 1 0.898 0.015 . 1 . . 917 . . 63 VAL HG21 . 19541 1 1086 . 2 1 63 63 VAL HG22 H 1 0.898 0.015 . 1 . . 917 . . 63 VAL HG22 . 19541 1 1087 . 2 1 63 63 VAL HG23 H 1 0.898 0.015 . 1 . . 917 . . 63 VAL HG23 . 19541 1 1088 . 2 1 65 65 LEU H H 1 7.841 0.004 . 1 . . 898 . . 65 LEU H . 19541 1 1089 . 2 1 65 65 LEU HA H 1 4.783 . . 1 . . 897 . . 65 LEU HA . 19541 1 1090 . 2 1 65 65 LEU HD11 H 1 0.718 . . 2 . . 899 . . 65 LEU HD11 . 19541 1 1091 . 2 1 65 65 LEU HD12 H 1 0.718 . . 2 . . 899 . . 65 LEU HD12 . 19541 1 1092 . 2 1 65 65 LEU HD13 H 1 0.718 . . 2 . . 899 . . 65 LEU HD13 . 19541 1 1093 . 2 1 65 65 LEU HD21 H 1 0.411 0.01 . 2 . . 900 . . 65 LEU HD21 . 19541 1 1094 . 2 1 65 65 LEU HD22 H 1 0.411 0.01 . 2 . . 900 . . 65 LEU HD22 . 19541 1 1095 . 2 1 65 65 LEU HD23 H 1 0.411 0.01 . 2 . . 900 . . 65 LEU HD23 . 19541 1 1096 . 2 1 66 66 ASP H H 1 8.306 . . 1 . . 922 . . 66 ASP H . 19541 1 1097 . 2 1 66 66 ASP HB2 H 1 2.882 . . 1 . . 923 . . 66 ASP HB2 . 19541 1 1098 . 2 1 66 66 ASP HB3 H 1 2.882 . . 1 . . 924 . . 66 ASP HB3 . 19541 1 1099 . 2 1 67 67 LEU HD11 H 1 1.000 . . 1 . . 907 . . 67 LEU HD11 . 19541 1 1100 . 2 1 67 67 LEU HD12 H 1 1.000 . . 1 . . 907 . . 67 LEU HD12 . 19541 1 1101 . 2 1 67 67 LEU HD13 H 1 1.000 . . 1 . . 907 . . 67 LEU HD13 . 19541 1 1102 . 2 1 67 67 LEU HD21 H 1 1.000 . . 1 . . 908 . . 67 LEU HD21 . 19541 1 1103 . 2 1 67 67 LEU HD22 H 1 1.000 . . 1 . . 908 . . 67 LEU HD22 . 19541 1 1104 . 2 1 67 67 LEU HD23 H 1 1.000 . . 1 . . 908 . . 67 LEU HD23 . 19541 1 1105 . 2 1 70 70 SER HA H 1 4.855 . . 1 . . 925 . . 70 SER HA . 19541 1 1106 . 2 1 70 70 SER HB2 H 1 4.102 0.005 . 2 . . 926 . . 70 SER HB2 . 19541 1 1107 . 2 1 70 70 SER HB3 H 1 3.904 0.009 . 2 . . 927 . . 70 SER HB3 . 19541 1 1108 . 2 1 94 94 ILE HB H 1 1.847 . . 1 . . 893 . . 94 ILE HB . 19541 1 1109 . 2 1 94 94 ILE HG12 H 1 1.350 . . 2 . . 891 . . 94 ILE HG12 . 19541 1 1110 . 2 1 94 94 ILE HG13 H 1 1.071 0.008 . 2 . . 892 . . 94 ILE HG13 . 19541 1 1111 . 2 1 94 94 ILE HG21 H 1 0.809 0.0 . 1 . . 890 . . 94 ILE HG21 . 19541 1 1112 . 2 1 94 94 ILE HG22 H 1 0.809 0.0 . 1 . . 890 . . 94 ILE HG22 . 19541 1 1113 . 2 1 94 94 ILE HG23 H 1 0.809 0.0 . 1 . . 890 . . 94 ILE HG23 . 19541 1 1114 . 2 1 94 94 ILE HD11 H 1 0.808 . . 1 . . 889 . . 94 ILE HD11 . 19541 1 1115 . 2 1 94 94 ILE HD12 H 1 0.808 . . 1 . . 889 . . 94 ILE HD12 . 19541 1 1116 . 2 1 94 94 ILE HD13 H 1 0.808 . . 1 . . 889 . . 94 ILE HD13 . 19541 1 1117 . 2 1 96 96 SER HA H 1 4.387 . . 1 . . 879 . . 96 SER HA . 19541 1 1118 . 2 1 97 97 GLY H H 1 8.431 0.004 . 1 . . 882 . . 97 GLY H . 19541 1 1119 . 5 1 1 1 PHE HA H 1 4.258 . . 1 . . 964 . . 1 PHE HA . 19541 3 1120 . 5 1 1 1 PHE HB2 H 1 3.168 . . 1 . . 962 . . 1 PHE HB2 . 19541 3 1121 . 5 1 1 1 PHE HB3 H 1 3.168 . . 1 . . 963 . . 1 PHE HB3 . 19541 3 1122 . 5 1 3 3 GLY H H 1 8.233 . . 1 . . 934 . . 3 GLY H . 19541 3 1123 . 5 1 3 3 GLY HA2 H 1 3.901 . . 1 . . 932 . . 3 GLY HA2 . 19541 3 1124 . 5 1 3 3 GLY HA3 H 1 3.901 . . 1 . . 933 . . 3 GLY HA3 . 19541 3 1125 . 5 1 5 5 MET HG2 H 1 2.524 . . 1 . . 959 . . 5 MET HG2 . 19541 3 1126 . 5 1 5 5 MET HG3 H 1 2.524 . . 1 . . 960 . . 5 MET HG3 . 19541 3 1127 . 5 1 5 5 MET HE1 H 1 2.037 . . 1 . . 961 . . 5 MET HE1 . 19541 3 1128 . 5 1 5 5 MET HE2 H 1 2.037 . . 1 . . 961 . . 5 MET HE2 . 19541 3 1129 . 5 1 5 5 MET HE3 H 1 2.037 . . 1 . . 961 . . 5 MET HE3 . 19541 3 1130 . 5 1 7 7 MET HG2 H 1 2.486 0.006 . 1 . . 953 . . 7 MET HG2 . 19541 3 1131 . 5 1 7 7 MET HG3 H 1 2.486 0.006 . 1 . . 954 . . 7 MET HG3 . 19541 3 1132 . 5 1 7 7 MET HE1 H 1 1.860 0.012 . 1 . . 955 . . 7 MET HE1 . 19541 3 1133 . 5 1 7 7 MET HE2 H 1 1.860 0.012 . 1 . . 955 . . 7 MET HE2 . 19541 3 1134 . 5 1 7 7 MET HE3 H 1 1.860 0.012 . 1 . . 955 . . 7 MET HE3 . 19541 3 1135 . 5 1 8 8 PHE H H 1 9.630 0.017 . 1 . . 945 . . 8 PHE H . 19541 3 1136 . 5 1 8 8 PHE HD1 H 1 7.098 0.003 . 3 . . 943 . . 8 PHE HD1 . 19541 3 1137 . 5 1 8 8 PHE HD2 H 1 7.098 0.003 . 3 . . 943 . . 8 PHE HD2 . 19541 3 1138 . 5 1 12 12 ASN H H 1 8.745 0.003 . 1 . . 966 . . 12 ASN H . 19541 3 1139 . 5 1 12 12 ASN HD21 H 1 7.225 0.009 . 1 . . 965 . . 12 ASN HD21 . 19541 3 1140 . 5 1 12 12 ASN HD22 H 1 6.338 . . 1 . . 967 . . 12 ASN HD22 . 19541 3 1141 . 5 1 28 28 HIS HE1 H 1 9.175 0.018 . 1 . . 1108 . . 28 HIS HE1 . 19541 3 1142 . 5 1 30 30 SER HG H 1 5.408 . . 1 . . 1110 . . 30 SER HG . 19541 3 1143 . 5 1 52 52 ILE HG21 H 1 0.899 . . 1 . . 936 . . 52 ILE HG21 . 19541 3 1144 . 5 1 52 52 ILE HG22 H 1 0.899 . . 1 . . 936 . . 52 ILE HG22 . 19541 3 1145 . 5 1 52 52 ILE HG23 H 1 0.899 . . 1 . . 936 . . 52 ILE HG23 . 19541 3 1146 . 5 1 52 52 ILE HD11 H 1 0.423 . . 1 . . 935 . . 52 ILE HD11 . 19541 3 1147 . 5 1 52 52 ILE HD12 H 1 0.423 . . 1 . . 935 . . 52 ILE HD12 . 19541 3 1148 . 5 1 52 52 ILE HD13 H 1 0.423 . . 1 . . 935 . . 52 ILE HD13 . 19541 3 1149 . 5 1 57 57 THR H H 1 8.070 . . 1 . . 941 . . 57 THR H . 19541 3 1150 . 5 1 60 60 ILE H H 1 7.368 0.005 . 1 . . 939 . . 60 ILE H . 19541 3 1151 . 5 1 60 60 ILE HA H 1 4.461 0.001 . 1 . . 937 . . 60 ILE HA . 19541 3 1152 . 5 1 60 60 ILE HD11 H 1 1.088 0.001 . 1 . . 938 . . 60 ILE HD11 . 19541 3 1153 . 5 1 60 60 ILE HD12 H 1 1.088 0.001 . 1 . . 938 . . 60 ILE HD12 . 19541 3 1154 . 5 1 60 60 ILE HD13 H 1 1.088 0.001 . 1 . . 938 . . 60 ILE HD13 . 19541 3 1155 . 5 1 61 61 PRO HD2 H 1 3.700 0.009 . 2 . . 970 . . 61 PRO HD2 . 19541 3 1156 . 5 1 61 61 PRO HD3 H 1 3.428 0.004 . 2 . . 971 . . 61 PRO HD3 . 19541 3 1157 . 5 1 62 62 GLN H H 1 7.373 0.002 . 1 . . 976 . . 62 GLN H . 19541 3 1158 . 5 1 62 62 GLN HA H 1 5.218 . . 1 . . 975 . . 62 GLN HA . 19541 3 1159 . 5 1 62 62 GLN HE21 H 1 7.129 0.012 . 1 . . 974 . . 62 GLN HE21 . 19541 3 1160 . 5 1 62 62 GLN HE22 H 1 7.971 0.032 . 1 . . 1095 . . 62 GLN HE22 . 19541 3 1161 . 5 1 63 63 VAL H H 1 8.734 0.001 . 1 . . 950 . . 63 VAL H . 19541 3 1162 . 5 1 63 63 VAL HG11 H 1 0.923 . . 1 . . 948 . . 63 VAL HG11 . 19541 3 1163 . 5 1 63 63 VAL HG12 H 1 0.923 . . 1 . . 948 . . 63 VAL HG12 . 19541 3 1164 . 5 1 63 63 VAL HG13 H 1 0.923 . . 1 . . 948 . . 63 VAL HG13 . 19541 3 1165 . 5 1 63 63 VAL HG21 H 1 0.923 . . 1 . . 949 . . 63 VAL HG21 . 19541 3 1166 . 5 1 63 63 VAL HG22 H 1 0.923 . . 1 . . 949 . . 63 VAL HG22 . 19541 3 1167 . 5 1 63 63 VAL HG23 H 1 0.923 . . 1 . . 949 . . 63 VAL HG23 . 19541 3 1168 . 5 1 64 64 ALA HB1 H 1 1.578 . . 1 . . 940 . . 64 ALA HB1 . 19541 3 1169 . 5 1 64 64 ALA HB2 H 1 1.578 . . 1 . . 940 . . 64 ALA HB2 . 19541 3 1170 . 5 1 64 64 ALA HB3 H 1 1.578 . . 1 . . 940 . . 64 ALA HB3 . 19541 3 1171 . 5 1 65 65 LEU H H 1 7.849 0.008 . 1 . . 952 . . 65 LEU H . 19541 3 1172 . 5 1 86 86 SER H H 1 9.008 . . 1 . . 958 . . 86 SER H . 19541 3 1173 . 5 1 86 86 SER HG H 1 6.163 . . 1 . . 1096 . . 86 SER HG . 19541 3 1174 . 5 1 88 88 LEU HD11 H 1 0.973 . . 1 . . 968 . . 88 LEU HD11 . 19541 3 1175 . 5 1 88 88 LEU HD12 H 1 0.973 . . 1 . . 968 . . 88 LEU HD12 . 19541 3 1176 . 5 1 88 88 LEU HD13 H 1 0.973 . . 1 . . 968 . . 88 LEU HD13 . 19541 3 1177 . 5 1 88 88 LEU HD21 H 1 0.973 . . 1 . . 969 . . 88 LEU HD21 . 19541 3 1178 . 5 1 88 88 LEU HD22 H 1 0.973 . . 1 . . 969 . . 88 LEU HD22 . 19541 3 1179 . 5 1 88 88 LEU HD23 H 1 0.973 . . 1 . . 969 . . 88 LEU HD23 . 19541 3 1180 . 5 1 89 89 GLY H H 1 8.554 . . 1 . . 957 . . 89 GLY H . 19541 3 1181 . 5 1 95 95 ASP HB2 H 1 2.702 . . 1 . . 951 . . 95 ASP HB2 . 19541 3 1182 . 5 1 96 96 SER HA H 1 4.387 . . 1 . . 972 . . 96 SER HA . 19541 3 1183 . 5 1 97 97 GLY H H 1 8.433 0.002 . 1 . . 973 . . 97 GLY H . 19541 3 stop_ save_