################################### # 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 17701 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' . . . 17701 1 2 '3D 1H-13C NOESY' . . . 17701 1 3 '3D HNCACB' . . . 17701 1 4 '3D HNCO' . . . 17701 1 5 '2D 1H-13C HSQC/HMQC' . . . 17701 1 6 'Expt_52 (h[C]_H[C].NOESY)' . . . 17701 1 9 '3D 1H-15N NOESY' . . . 17701 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.996 0.01 . 2 . . 1314 . . 1 GLY HA2 . 17701 1 2 . 1 1 1 1 GLY HA3 H 1 4.027 0.01 . 2 . . 1313 . . 1 GLY HA3 . 17701 1 3 . 1 1 1 1 GLY C C 13 174.069 0.05 . 1 . . 370 . . 1 GLY C . 17701 1 4 . 1 1 1 1 GLY CA C 13 44.949 0.019 . 1 . . 847 . . 1 GLY CA . 17701 1 5 . 1 1 2 2 ARG H H 1 8.225 0.004 . 1 . . 368 . . 2 ARG H . 17701 1 6 . 1 1 2 2 ARG HA H 1 4.387 0.002 . 1 . . 1697 . . 2 ARG HA . 17701 1 7 . 1 1 2 2 ARG HB2 H 1 1.845 0.001 . 2 . . 1698 . . 2 ARG HB2 . 17701 1 8 . 1 1 2 2 ARG HB3 H 1 1.769 0.002 . 2 . . 1699 . . 2 ARG HB3 . 17701 1 9 . 1 1 2 2 ARG HG3 H 1 1.656 0.003 . 1 . . 1702 . . 2 ARG HG3 . 17701 1 10 . 1 1 2 2 ARG HD3 H 1 3.187 0.001 . 1 . . 1700 . . 2 ARG HD3 . 17701 1 11 . 1 1 2 2 ARG C C 13 175.949 0.05 . 1 . . 379 . . 2 ARG C . 17701 1 12 . 1 1 2 2 ARG CA C 13 56.102 0.022 . 1 . . 846 . . 2 ARG CA . 17701 1 13 . 1 1 2 2 ARG CB C 13 30.937 0.082 . 1 . . 848 . . 2 ARG CB . 17701 1 14 . 1 1 2 2 ARG CG C 13 26.889 0.004 . 1 . . 1703 . . 2 ARG CG . 17701 1 15 . 1 1 2 2 ARG CD C 13 43.554 0.001 . 1 . . 1701 . . 2 ARG CD . 17701 1 16 . 1 1 2 2 ARG N N 15 120.592 0.012 . 1 . . 369 . . 2 ARG N . 17701 1 17 . 1 1 3 3 LYS H H 1 8.612 0.003 . 1 . . 377 . . 3 LYS H . 17701 1 18 . 1 1 3 3 LYS HA H 1 4.366 0.003 . 1 . . 1560 . . 3 LYS HA . 17701 1 19 . 1 1 3 3 LYS HB2 H 1 1.808 0.003 . 2 . . 1562 . . 3 LYS HB2 . 17701 1 20 . 1 1 3 3 LYS HB3 H 1 1.881 0.002 . 2 . . 1561 . . 3 LYS HB3 . 17701 1 21 . 1 1 3 3 LYS HG2 H 1 1.474 0.002 . 2 . . 1563 . . 3 LYS HG2 . 17701 1 22 . 1 1 3 3 LYS HG3 H 1 1.522 0.002 . 2 . . 1565 . . 3 LYS HG3 . 17701 1 23 . 1 1 3 3 LYS C C 13 175.925 0.05 . 1 . . 615 . . 3 LYS C . 17701 1 24 . 1 1 3 3 LYS CA C 13 56.469 0.041 . 1 . . 852 . . 3 LYS CA . 17701 1 25 . 1 1 3 3 LYS CB C 13 33.099 0.018 . 1 . . 851 . . 3 LYS CB . 17701 1 26 . 1 1 3 3 LYS CG C 13 25.065 0.003 . 1 . . 1564 . . 3 LYS CG . 17701 1 27 . 1 1 3 3 LYS N N 15 123.786 0.021 . 1 . . 378 . . 3 LYS N . 17701 1 28 . 1 1 4 4 LEU H H 1 7.997 0.003 . 1 . . 613 . . 4 LEU H . 17701 1 29 . 1 1 4 4 LEU HA H 1 4.842 0.005 . 1 . . 1270 . . 4 LEU HA . 17701 1 30 . 1 1 4 4 LEU HB2 H 1 1.672 0.003 . 2 . . 1271 . . 4 LEU HB2 . 17701 1 31 . 1 1 4 4 LEU HB3 H 1 1.468 0.002 . 2 . . 1272 . . 4 LEU HB3 . 17701 1 32 . 1 1 4 4 LEU HG H 1 1.595 0.0 . 1 . . 1864 . . 4 LEU HG . 17701 1 33 . 1 1 4 4 LEU HD11 H 1 0.832 0.001 . 2 . . 1866 . . 4 LEU HD11 . 17701 1 34 . 1 1 4 4 LEU HD12 H 1 0.832 0.001 . 2 . . 1866 . . 4 LEU HD12 . 17701 1 35 . 1 1 4 4 LEU HD13 H 1 0.832 0.001 . 2 . . 1866 . . 4 LEU HD13 . 17701 1 36 . 1 1 4 4 LEU HD21 H 1 0.837 0.001 . 2 . . 1856 . . 4 LEU HD21 . 17701 1 37 . 1 1 4 4 LEU HD22 H 1 0.837 0.001 . 2 . . 1856 . . 4 LEU HD22 . 17701 1 38 . 1 1 4 4 LEU HD23 H 1 0.837 0.001 . 2 . . 1856 . . 4 LEU HD23 . 17701 1 39 . 1 1 4 4 LEU C C 13 176.479 0.05 . 1 . . 618 . . 4 LEU C . 17701 1 40 . 1 1 4 4 LEU CA C 13 53.742 0.009 . 1 . . 849 . . 4 LEU CA . 17701 1 41 . 1 1 4 4 LEU CB C 13 44.374 0.011 . 1 . . 850 . . 4 LEU CB . 17701 1 42 . 1 1 4 4 LEU CG C 13 27.221 0.0 . 1 . . 1865 . . 4 LEU CG . 17701 1 43 . 1 1 4 4 LEU CD1 C 13 25.716 0.002 . 2 . . 1867 . . 4 LEU CD1 . 17701 1 44 . 1 1 4 4 LEU CD2 C 13 23.002 0.003 . 2 . . 1857 . . 4 LEU CD2 . 17701 1 45 . 1 1 4 4 LEU N N 15 124.439 0.024 . 1 . . 614 . . 4 LEU N . 17701 1 46 . 1 1 5 5 LEU H H 1 7.815 0.003 . 1 . . 616 . . 5 LEU H . 17701 1 47 . 1 1 5 5 LEU HA H 1 3.916 0.004 . 1 . . 1265 . . 5 LEU HA . 17701 1 48 . 1 1 5 5 LEU HB2 H 1 1.454 0.003 . 2 . . 1266 . . 5 LEU HB2 . 17701 1 49 . 1 1 5 5 LEU HB3 H 1 1.416 0.002 . 2 . . 1267 . . 5 LEU HB3 . 17701 1 50 . 1 1 5 5 LEU HG H 1 1.157 0.003 . 1 . . 1268 . . 5 LEU HG . 17701 1 51 . 1 1 5 5 LEU HD11 H 1 0.460 0.012 . 2 . . 1274 . . 5 LEU HD11 . 17701 1 52 . 1 1 5 5 LEU HD12 H 1 0.460 0.012 . 2 . . 1274 . . 5 LEU HD12 . 17701 1 53 . 1 1 5 5 LEU HD13 H 1 0.460 0.012 . 2 . . 1274 . . 5 LEU HD13 . 17701 1 54 . 1 1 5 5 LEU HD21 H 1 0.496 0.003 . 2 . . 1275 . . 5 LEU HD21 . 17701 1 55 . 1 1 5 5 LEU HD22 H 1 0.496 0.003 . 2 . . 1275 . . 5 LEU HD22 . 17701 1 56 . 1 1 5 5 LEU HD23 H 1 0.496 0.003 . 2 . . 1275 . . 5 LEU HD23 . 17701 1 57 . 1 1 5 5 LEU C C 13 174.912 0.05 . 1 . . 814 . . 5 LEU C . 17701 1 58 . 1 1 5 5 LEU CA C 13 57.480 0.025 . 1 . . 817 . . 5 LEU CA . 17701 1 59 . 1 1 5 5 LEU CB C 13 41.741 0.012 . 1 . . 818 . . 5 LEU CB . 17701 1 60 . 1 1 5 5 LEU CG C 13 27.891 0.003 . 1 . . 1269 . . 5 LEU CG . 17701 1 61 . 1 1 5 5 LEU CD1 C 13 24.725 0.008 . 2 . . 1273 . . 5 LEU CD1 . 17701 1 62 . 1 1 5 5 LEU CD2 C 13 26.187 0.014 . 2 . . 1868 . . 5 LEU CD2 . 17701 1 63 . 1 1 5 5 LEU N N 15 123.855 0.013 . 1 . . 617 . . 5 LEU N . 17701 1 64 . 1 1 6 6 THR H H 1 7.977 0.005 . 1 . . 812 . . 6 THR H . 17701 1 65 . 1 1 6 6 THR HA H 1 5.127 0.006 . 1 . . 988 . . 6 THR HA . 17701 1 66 . 1 1 6 6 THR HB H 1 3.948 0.006 . 1 . . 987 . . 6 THR HB . 17701 1 67 . 1 1 6 6 THR HG21 H 1 1.065 0.006 . 1 . . 989 . . 6 THR HG21 . 17701 1 68 . 1 1 6 6 THR HG22 H 1 1.065 0.006 . 1 . . 989 . . 6 THR HG22 . 17701 1 69 . 1 1 6 6 THR HG23 H 1 1.065 0.006 . 1 . . 989 . . 6 THR HG23 . 17701 1 70 . 1 1 6 6 THR C C 13 172.951 0.05 . 1 . . 811 . . 6 THR C . 17701 1 71 . 1 1 6 6 THR CA C 13 60.356 0.011 . 1 . . 815 . . 6 THR CA . 17701 1 72 . 1 1 6 6 THR CB C 13 70.866 0.035 . 1 . . 816 . . 6 THR CB . 17701 1 73 . 1 1 6 6 THR CG2 C 13 21.607 0.002 . 1 . . 990 . . 6 THR CG2 . 17701 1 74 . 1 1 6 6 THR N N 15 118.336 0.031 . 1 . . 813 . . 6 THR N . 17701 1 75 . 1 1 7 7 TYR H H 1 9.306 0.004 . 1 . . 57 . . 7 TYR H . 17701 1 76 . 1 1 7 7 TYR HA H 1 4.654 0.005 . 1 . . 1657 . . 7 TYR HA . 17701 1 77 . 1 1 7 7 TYR HB2 H 1 2.565 0.007 . 2 . . 1658 . . 7 TYR HB2 . 17701 1 78 . 1 1 7 7 TYR HB3 H 1 2.343 0.007 . 2 . . 1659 . . 7 TYR HB3 . 17701 1 79 . 1 1 7 7 TYR HD1 H 1 7.017 0.002 . 3 . . 1802 . . 7 TYR HD1 . 17701 1 80 . 1 1 7 7 TYR HD2 H 1 7.017 0.002 . 3 . . 1802 . . 7 TYR HD2 . 17701 1 81 . 1 1 7 7 TYR HE1 H 1 6.930 0.0 . 3 . . 1953 . . 7 TYR HE1 . 17701 1 82 . 1 1 7 7 TYR HE2 H 1 6.930 0.0 . 3 . . 1953 . . 7 TYR HE2 . 17701 1 83 . 1 1 7 7 TYR C C 13 172.954 0.05 . 1 . . 808 . . 7 TYR C . 17701 1 84 . 1 1 7 7 TYR CA C 13 56.408 0.005 . 1 . . 810 . . 7 TYR CA . 17701 1 85 . 1 1 7 7 TYR CB C 13 42.462 0.013 . 1 . . 809 . . 7 TYR CB . 17701 1 86 . 1 1 7 7 TYR CD1 C 13 132.275 0.069 . 3 . . 1817 . . 7 TYR CD1 . 17701 1 87 . 1 1 7 7 TYR CD2 C 13 132.275 0.069 . 3 . . 1817 . . 7 TYR CD2 . 17701 1 88 . 1 1 7 7 TYR CE1 C 13 118.770 0.008 . 3 . . 1954 . . 7 TYR CE1 . 17701 1 89 . 1 1 7 7 TYR CE2 C 13 118.770 0.008 . 3 . . 1954 . . 7 TYR CE2 . 17701 1 90 . 1 1 7 7 TYR N N 15 127.405 0.012 . 1 . . 58 . . 7 TYR N . 17701 1 91 . 1 1 8 8 GLN H H 1 7.622 0.005 . 1 . . 807 . . 8 GLN H . 17701 1 92 . 1 1 8 8 GLN HA H 1 4.636 0.01 . 1 . . 1041 . . 8 GLN HA . 17701 1 93 . 1 1 8 8 GLN HB2 H 1 1.633 0.005 . 2 . . 1599 . . 8 GLN HB2 . 17701 1 94 . 1 1 8 8 GLN HB3 H 1 1.667 0.005 . 2 . . 1598 . . 8 GLN HB3 . 17701 1 95 . 1 1 8 8 GLN HG2 H 1 1.993 0.004 . 2 . . 1600 . . 8 GLN HG2 . 17701 1 96 . 1 1 8 8 GLN HG3 H 1 1.968 0.005 . 2 . . 1602 . . 8 GLN HG3 . 17701 1 97 . 1 1 8 8 GLN HE21 H 1 7.482 0.003 . 1 . . 877 . . 8 GLN HE21 . 17701 1 98 . 1 1 8 8 GLN HE22 H 1 6.788 0.004 . 1 . . 879 . . 8 GLN HE22 . 17701 1 99 . 1 1 8 8 GLN C C 13 173.576 0.05 . 1 . . 802 . . 8 GLN C . 17701 1 100 . 1 1 8 8 GLN CA C 13 54.213 0.011 . 1 . . 804 . . 8 GLN CA . 17701 1 101 . 1 1 8 8 GLN CB C 13 29.378 0.031 . 1 . . 806 . . 8 GLN CB . 17701 1 102 . 1 1 8 8 GLN CG C 13 34.324 0.003 . 1 . . 1601 . . 8 GLN CG . 17701 1 103 . 1 1 8 8 GLN N N 15 127.374 0.02 . 1 . . 61 . . 8 GLN N . 17701 1 104 . 1 1 8 8 GLN NE2 N 15 111.943 0.148 . 1 . . 878 . . 8 GLN NE2 . 17701 1 105 . 1 1 9 9 VAL H H 1 8.541 0.003 . 1 . . 64 . . 9 VAL H . 17701 1 106 . 1 1 9 9 VAL HA H 1 3.727 0.004 . 1 . . 1040 . . 9 VAL HA . 17701 1 107 . 1 1 9 9 VAL HB H 1 2.149 0.004 . 1 . . 1042 . . 9 VAL HB . 17701 1 108 . 1 1 9 9 VAL HG11 H 1 0.977 0.002 . 2 . . 1043 . . 9 VAL HG11 . 17701 1 109 . 1 1 9 9 VAL HG12 H 1 0.977 0.002 . 2 . . 1043 . . 9 VAL HG12 . 17701 1 110 . 1 1 9 9 VAL HG13 H 1 0.977 0.002 . 2 . . 1043 . . 9 VAL HG13 . 17701 1 111 . 1 1 9 9 VAL HG21 H 1 1.098 0.003 . 2 . . 1045 . . 9 VAL HG21 . 17701 1 112 . 1 1 9 9 VAL HG22 H 1 1.098 0.003 . 2 . . 1045 . . 9 VAL HG22 . 17701 1 113 . 1 1 9 9 VAL HG23 H 1 1.098 0.003 . 2 . . 1045 . . 9 VAL HG23 . 17701 1 114 . 1 1 9 9 VAL C C 13 176.920 0.05 . 1 . . 801 . . 9 VAL C . 17701 1 115 . 1 1 9 9 VAL CA C 13 64.243 0.007 . 1 . . 803 . . 9 VAL CA . 17701 1 116 . 1 1 9 9 VAL CB C 13 32.256 0.013 . 1 . . 805 . . 9 VAL CB . 17701 1 117 . 1 1 9 9 VAL CG1 C 13 22.718 0.014 . 2 . . 1044 . . 9 VAL CG1 . 17701 1 118 . 1 1 9 9 VAL CG2 C 13 23.272 0.02 . 2 . . 1046 . . 9 VAL CG2 . 17701 1 119 . 1 1 9 9 VAL N N 15 125.563 0.015 . 1 . . 65 . . 9 VAL N . 17701 1 120 . 1 1 10 10 LYS H H 1 9.128 0.003 . 1 . . 799 . . 10 LYS H . 17701 1 121 . 1 1 10 10 LYS HA H 1 4.613 0.004 . 1 . . 1549 . . 10 LYS HA . 17701 1 122 . 1 1 10 10 LYS HB2 H 1 1.771 0.003 . 2 . . 1550 . . 10 LYS HB2 . 17701 1 123 . 1 1 10 10 LYS HB3 H 1 1.898 0.003 . 2 . . 1551 . . 10 LYS HB3 . 17701 1 124 . 1 1 10 10 LYS HG2 H 1 1.600 0.003 . 2 . . 1554 . . 10 LYS HG2 . 17701 1 125 . 1 1 10 10 LYS HG3 H 1 1.509 0.003 . 2 . . 1552 . . 10 LYS HG3 . 17701 1 126 . 1 1 10 10 LYS HD3 H 1 1.722 0.002 . 1 . . 1558 . . 10 LYS HD3 . 17701 1 127 . 1 1 10 10 LYS HE2 H 1 2.978 0.004 . 2 . . 1557 . . 10 LYS HE2 . 17701 1 128 . 1 1 10 10 LYS HE3 H 1 3.133 0.003 . 2 . . 1555 . . 10 LYS HE3 . 17701 1 129 . 1 1 10 10 LYS C C 13 177.183 0.05 . 1 . . 794 . . 10 LYS C . 17701 1 130 . 1 1 10 10 LYS CA C 13 54.152 0.003 . 1 . . 796 . . 10 LYS CA . 17701 1 131 . 1 1 10 10 LYS CB C 13 34.745 0.013 . 1 . . 797 . . 10 LYS CB . 17701 1 132 . 1 1 10 10 LYS CG C 13 24.407 0.002 . 1 . . 1553 . . 10 LYS CG . 17701 1 133 . 1 1 10 10 LYS CD C 13 28.637 0.0 . 1 . . 1559 . . 10 LYS CD . 17701 1 134 . 1 1 10 10 LYS CE C 13 42.165 0.002 . 1 . . 1556 . . 10 LYS CE . 17701 1 135 . 1 1 10 10 LYS N N 15 130.756 0.012 . 1 . . 800 . . 10 LYS N . 17701 1 136 . 1 1 11 11 GLN H H 1 8.869 0.004 . 1 . . 793 . . 11 GLN H . 17701 1 137 . 1 1 11 11 GLN HA H 1 4.023 0.005 . 1 . . 1593 . . 11 GLN HA . 17701 1 138 . 1 1 11 11 GLN HB2 H 1 2.042 0.004 . 2 . . 1594 . . 11 GLN HB2 . 17701 1 139 . 1 1 11 11 GLN HB3 H 1 2.005 0.004 . 2 . . 1595 . . 11 GLN HB3 . 17701 1 140 . 1 1 11 11 GLN HG2 H 1 2.421 0.005 . 2 . . 1596 . . 11 GLN HG2 . 17701 1 141 . 1 1 11 11 GLN HG3 H 1 2.401 0.004 . 2 . . 1597 . . 11 GLN HG3 . 17701 1 142 . 1 1 11 11 GLN HE21 H 1 6.918 0.001 . 1 . . 834 . . 11 GLN HE21 . 17701 1 143 . 1 1 11 11 GLN HE22 H 1 7.584 0.001 . 1 . . 836 . . 11 GLN HE22 . 17701 1 144 . 1 1 11 11 GLN C C 13 176.867 0.05 . 1 . . 791 . . 11 GLN C . 17701 1 145 . 1 1 11 11 GLN CA C 13 58.145 0.007 . 1 . . 795 . . 11 GLN CA . 17701 1 146 . 1 1 11 11 GLN CB C 13 28.010 0.012 . 1 . . 798 . . 11 GLN CB . 17701 1 147 . 1 1 11 11 GLN CG C 13 33.312 0.008 . 1 . . 892 . . 11 GLN CG . 17701 1 148 . 1 1 11 11 GLN N N 15 122.162 0.012 . 1 . . 133 . . 11 GLN N . 17701 1 149 . 1 1 11 11 GLN NE2 N 15 112.357 0.008 . 1 . . 835 . . 11 GLN NE2 . 17701 1 150 . 1 1 12 12 GLY H H 1 8.929 0.005 . 1 . . 789 . . 12 GLY H . 17701 1 151 . 1 1 12 12 GLY HA2 H 1 4.383 0.011 . 2 . . 1310 . . 12 GLY HA2 . 17701 1 152 . 1 1 12 12 GLY HA3 H 1 3.696 0.007 . 2 . . 1311 . . 12 GLY HA3 . 17701 1 153 . 1 1 12 12 GLY C C 13 174.741 0.05 . 1 . . 788 . . 12 GLY C . 17701 1 154 . 1 1 12 12 GLY CA C 13 45.036 0.007 . 1 . . 792 . . 12 GLY CA . 17701 1 155 . 1 1 12 12 GLY N N 15 115.120 0.029 . 1 . . 790 . . 12 GLY N . 17701 1 156 . 1 1 13 13 ASP H H 1 7.849 0.003 . 1 . . 188 . . 13 ASP H . 17701 1 157 . 1 1 13 13 ASP HA H 1 4.561 0.006 . 1 . . 1441 . . 13 ASP HA . 17701 1 158 . 1 1 13 13 ASP HB2 H 1 3.100 0.008 . 2 . . 1442 . . 13 ASP HB2 . 17701 1 159 . 1 1 13 13 ASP HB3 H 1 2.573 0.007 . 2 . . 1443 . . 13 ASP HB3 . 17701 1 160 . 1 1 13 13 ASP C C 13 176.291 0.05 . 1 . . 783 . . 13 ASP C . 17701 1 161 . 1 1 13 13 ASP CA C 13 55.526 0.002 . 1 . . 786 . . 13 ASP CA . 17701 1 162 . 1 1 13 13 ASP CB C 13 41.842 0.016 . 1 . . 787 . . 13 ASP CB . 17701 1 163 . 1 1 13 13 ASP N N 15 120.996 0.019 . 1 . . 189 . . 13 ASP N . 17701 1 164 . 1 1 14 14 THR H H 1 9.095 0.005 . 1 . . 782 . . 14 THR H . 17701 1 165 . 1 1 14 14 THR HA H 1 4.625 0.005 . 1 . . 986 . . 14 THR HA . 17701 1 166 . 1 1 14 14 THR HB H 1 4.683 0.007 . 1 . . 983 . . 14 THR HB . 17701 1 167 . 1 1 14 14 THR HG21 H 1 1.278 0.004 . 1 . . 984 . . 14 THR HG21 . 17701 1 168 . 1 1 14 14 THR HG22 H 1 1.278 0.004 . 1 . . 984 . . 14 THR HG22 . 17701 1 169 . 1 1 14 14 THR HG23 H 1 1.278 0.004 . 1 . . 984 . . 14 THR HG23 . 17701 1 170 . 1 1 14 14 THR C C 13 174.260 0.05 . 1 . . 781 . . 14 THR C . 17701 1 171 . 1 1 14 14 THR CA C 13 59.216 0.007 . 1 . . 785 . . 14 THR CA . 17701 1 172 . 1 1 14 14 THR CB C 13 72.738 0.028 . 1 . . 784 . . 14 THR CB . 17701 1 173 . 1 1 14 14 THR CG2 C 13 21.720 0.007 . 1 . . 985 . . 14 THR CG2 . 17701 1 174 . 1 1 14 14 THR N N 15 111.389 0.026 . 1 . . 35 . . 14 THR N . 17701 1 175 . 1 1 15 15 LEU H H 1 9.032 0.004 . 1 . . 779 . . 15 LEU H . 17701 1 176 . 1 1 15 15 LEU HA H 1 3.882 0.005 . 1 . . 1262 . . 15 LEU HA . 17701 1 177 . 1 1 15 15 LEU HB2 H 1 1.704 0.004 . 2 . . 1263 . . 15 LEU HB2 . 17701 1 178 . 1 1 15 15 LEU HB3 H 1 1.629 0.002 . 2 . . 1264 . . 15 LEU HB3 . 17701 1 179 . 1 1 15 15 LEU HG H 1 1.707 0.0 . 1 . . 1860 . . 15 LEU HG . 17701 1 180 . 1 1 15 15 LEU HD11 H 1 0.925 0.003 . 2 . . 1717 . . 15 LEU HD11 . 17701 1 181 . 1 1 15 15 LEU HD12 H 1 0.925 0.003 . 2 . . 1717 . . 15 LEU HD12 . 17701 1 182 . 1 1 15 15 LEU HD13 H 1 0.925 0.003 . 2 . . 1717 . . 15 LEU HD13 . 17701 1 183 . 1 1 15 15 LEU HD21 H 1 0.830 0.003 . 2 . . 1719 . . 15 LEU HD21 . 17701 1 184 . 1 1 15 15 LEU HD22 H 1 0.830 0.003 . 2 . . 1719 . . 15 LEU HD22 . 17701 1 185 . 1 1 15 15 LEU HD23 H 1 0.830 0.003 . 2 . . 1719 . . 15 LEU HD23 . 17701 1 186 . 1 1 15 15 LEU C C 13 177.946 0.05 . 1 . . 776 . . 15 LEU C . 17701 1 187 . 1 1 15 15 LEU CA C 13 58.902 0.02 . 1 . . 777 . . 15 LEU CA . 17701 1 188 . 1 1 15 15 LEU CB C 13 41.796 0.042 . 1 . . 778 . . 15 LEU CB . 17701 1 189 . 1 1 15 15 LEU CG C 13 27.221 0.0 . 1 . . 1861 . . 15 LEU CG . 17701 1 190 . 1 1 15 15 LEU CD1 C 13 25.436 0.011 . 2 . . 1718 . . 15 LEU CD1 . 17701 1 191 . 1 1 15 15 LEU CD2 C 13 25.688 0.004 . 2 . . 1720 . . 15 LEU CD2 . 17701 1 192 . 1 1 15 15 LEU N N 15 121.907 0.009 . 1 . . 780 . . 15 LEU N . 17701 1 193 . 1 1 16 16 ASN H H 1 8.020 0.003 . 1 . . 775 . . 16 ASN H . 17701 1 194 . 1 1 16 16 ASN HA H 1 4.240 0.003 . 1 . . 1469 . . 16 ASN HA . 17701 1 195 . 1 1 16 16 ASN HB2 H 1 2.661 0.003 . 2 . . 1471 . . 16 ASN HB2 . 17701 1 196 . 1 1 16 16 ASN HB3 H 1 2.718 0.002 . 2 . . 1470 . . 16 ASN HB3 . 17701 1 197 . 1 1 16 16 ASN HD21 H 1 7.020 0.002 . 1 . . 824 . . 16 ASN HD21 . 17701 1 198 . 1 1 16 16 ASN HD22 H 1 7.710 0.001 . 1 . . 822 . . 16 ASN HD22 . 17701 1 199 . 1 1 16 16 ASN C C 13 178.219 0.05 . 1 . . 771 . . 16 ASN C . 17701 1 200 . 1 1 16 16 ASN CA C 13 55.962 0.002 . 1 . . 773 . . 16 ASN CA . 17701 1 201 . 1 1 16 16 ASN CB C 13 38.466 0.008 . 1 . . 774 . . 16 ASN CB . 17701 1 202 . 1 1 16 16 ASN N N 15 111.847 0.014 . 1 . . 49 . . 16 ASN N . 17701 1 203 . 1 1 16 16 ASN ND2 N 15 112.749 0.005 . 1 . . 823 . . 16 ASN ND2 . 17701 1 204 . 1 1 17 17 SER H H 1 8.736 0.003 . 1 . . 132 . . 17 SER H . 17701 1 205 . 1 1 17 17 SER HA H 1 4.142 0.006 . 1 . . 1354 . . 17 SER HA . 17701 1 206 . 1 1 17 17 SER C C 13 176.210 0.05 . 1 . . 766 . . 17 SER C . 17701 1 207 . 1 1 17 17 SER CA C 13 62.290 0.034 . 1 . . 772 . . 17 SER CA . 17701 1 208 . 1 1 17 17 SER N N 15 121.438 0.008 . 1 . . 770 . . 17 SER N . 17701 1 209 . 1 1 18 18 ILE H H 1 8.333 0.003 . 1 . . 62 . . 18 ILE H . 17701 1 210 . 1 1 18 18 ILE HA H 1 3.822 0.007 . 1 . . 1170 . . 18 ILE HA . 17701 1 211 . 1 1 18 18 ILE HB H 1 1.630 0.003 . 1 . . 1165 . . 18 ILE HB . 17701 1 212 . 1 1 18 18 ILE HG12 H 1 2.064 0.001 . 2 . . 1849 . . 18 ILE HG12 . 17701 1 213 . 1 1 18 18 ILE HG13 H 1 1.000 0.001 . 2 . . 1851 . . 18 ILE HG13 . 17701 1 214 . 1 1 18 18 ILE HG21 H 1 0.656 0.003 . 1 . . 1166 . . 18 ILE HG21 . 17701 1 215 . 1 1 18 18 ILE HG22 H 1 0.656 0.003 . 1 . . 1166 . . 18 ILE HG22 . 17701 1 216 . 1 1 18 18 ILE HG23 H 1 0.656 0.003 . 1 . . 1166 . . 18 ILE HG23 . 17701 1 217 . 1 1 18 18 ILE HD11 H 1 0.955 0.004 . 1 . . 1168 . . 18 ILE HD11 . 17701 1 218 . 1 1 18 18 ILE HD12 H 1 0.955 0.004 . 1 . . 1168 . . 18 ILE HD12 . 17701 1 219 . 1 1 18 18 ILE HD13 H 1 0.955 0.004 . 1 . . 1168 . . 18 ILE HD13 . 17701 1 220 . 1 1 18 18 ILE C C 13 178.100 0.05 . 1 . . 767 . . 18 ILE C . 17701 1 221 . 1 1 18 18 ILE CA C 13 65.551 0.012 . 1 . . 768 . . 18 ILE CA . 17701 1 222 . 1 1 18 18 ILE CB C 13 38.439 0.026 . 1 . . 769 . . 18 ILE CB . 17701 1 223 . 1 1 18 18 ILE CG1 C 13 28.643 0.001 . 1 . . 1850 . . 18 ILE CG1 . 17701 1 224 . 1 1 18 18 ILE CG2 C 13 17.826 0.033 . 1 . . 1167 . . 18 ILE CG2 . 17701 1 225 . 1 1 18 18 ILE CD1 C 13 15.619 0.006 . 1 . . 1169 . . 18 ILE CD1 . 17701 1 226 . 1 1 18 18 ILE N N 15 127.026 0.019 . 1 . . 63 . . 18 ILE N . 17701 1 227 . 1 1 19 19 ALA H H 1 7.810 0.004 . 1 . . 190 . . 19 ALA H . 17701 1 228 . 1 1 19 19 ALA HA H 1 3.842 0.004 . 1 . . 931 . . 19 ALA HA . 17701 1 229 . 1 1 19 19 ALA HB1 H 1 1.444 0.004 . 1 . . 933 . . 19 ALA HB1 . 17701 1 230 . 1 1 19 19 ALA HB2 H 1 1.444 0.004 . 1 . . 933 . . 19 ALA HB2 . 17701 1 231 . 1 1 19 19 ALA HB3 H 1 1.444 0.004 . 1 . . 933 . . 19 ALA HB3 . 17701 1 232 . 1 1 19 19 ALA C C 13 179.232 0.05 . 1 . . 763 . . 19 ALA C . 17701 1 233 . 1 1 19 19 ALA CA C 13 55.498 0.011 . 1 . . 765 . . 19 ALA CA . 17701 1 234 . 1 1 19 19 ALA CB C 13 17.933 0.036 . 1 . . 764 . . 19 ALA CB . 17701 1 235 . 1 1 19 19 ALA N N 15 120.636 0.013 . 1 . . 191 . . 19 ALA N . 17701 1 236 . 1 1 20 20 ALA H H 1 7.789 0.004 . 1 . . 141 . . 20 ALA H . 17701 1 237 . 1 1 20 20 ALA HA H 1 4.137 0.005 . 1 . . 930 . . 20 ALA HA . 17701 1 238 . 1 1 20 20 ALA HB1 H 1 1.398 0.007 . 1 . . 932 . . 20 ALA HB1 . 17701 1 239 . 1 1 20 20 ALA HB2 H 1 1.398 0.007 . 1 . . 932 . . 20 ALA HB2 . 17701 1 240 . 1 1 20 20 ALA HB3 H 1 1.398 0.007 . 1 . . 932 . . 20 ALA HB3 . 17701 1 241 . 1 1 20 20 ALA C C 13 181.338 0.05 . 1 . . 636 . . 20 ALA C . 17701 1 242 . 1 1 20 20 ALA CA C 13 54.742 0.004 . 1 . . 639 . . 20 ALA CA . 17701 1 243 . 1 1 20 20 ALA CB C 13 17.954 0.007 . 1 . . 637 . . 20 ALA CB . 17701 1 244 . 1 1 20 20 ALA N N 15 118.096 0.014 . 1 . . 762 . . 20 ALA N . 17701 1 245 . 1 1 21 21 ASP H H 1 8.534 0.003 . 1 . . 629 . . 21 ASP H . 17701 1 246 . 1 1 21 21 ASP HA H 1 4.069 0.002 . 1 . . 1440 . . 21 ASP HA . 17701 1 247 . 1 1 21 21 ASP HB2 H 1 2.397 0.004 . 2 . . 1438 . . 21 ASP HB2 . 17701 1 248 . 1 1 21 21 ASP HB3 H 1 2.930 0.006 . 2 . . 1439 . . 21 ASP HB3 . 17701 1 249 . 1 1 21 21 ASP C C 13 176.922 0.05 . 1 . . 761 . . 21 ASP C . 17701 1 250 . 1 1 21 21 ASP CA C 13 57.888 0.006 . 1 . . 640 . . 21 ASP CA . 17701 1 251 . 1 1 21 21 ASP CB C 13 40.289 0.014 . 1 . . 638 . . 21 ASP CB . 17701 1 252 . 1 1 21 21 ASP N N 15 121.768 0.019 . 1 . . 630 . . 21 ASP N . 17701 1 253 . 1 1 22 22 PHE H H 1 7.836 0.005 . 1 . . 654 . . 22 PHE H . 17701 1 254 . 1 1 22 22 PHE HA H 1 4.137 0.004 . 1 . . 1636 . . 22 PHE HA . 17701 1 255 . 1 1 22 22 PHE HB2 H 1 2.463 0.005 . 2 . . 1637 . . 22 PHE HB2 . 17701 1 256 . 1 1 22 22 PHE HB3 H 1 3.156 0.004 . 2 . . 1638 . . 22 PHE HB3 . 17701 1 257 . 1 1 22 22 PHE HD1 H 1 7.203 0.003 . 3 . . 1792 . . 22 PHE HD1 . 17701 1 258 . 1 1 22 22 PHE HD2 H 1 7.203 0.003 . 3 . . 1792 . . 22 PHE HD2 . 17701 1 259 . 1 1 22 22 PHE HE1 H 1 6.767 0.004 . 3 . . 1794 . . 22 PHE HE1 . 17701 1 260 . 1 1 22 22 PHE HE2 H 1 6.767 0.004 . 3 . . 1794 . . 22 PHE HE2 . 17701 1 261 . 1 1 22 22 PHE HZ H 1 7.262 0.001 . 1 . . 1820 . . 22 PHE HZ . 17701 1 262 . 1 1 22 22 PHE C C 13 172.746 0.05 . 1 . . 661 . . 22 PHE C . 17701 1 263 . 1 1 22 22 PHE CA C 13 59.605 0.021 . 1 . . 657 . . 22 PHE CA . 17701 1 264 . 1 1 22 22 PHE CB C 13 39.036 0.01 . 1 . . 656 . . 22 PHE CB . 17701 1 265 . 1 1 22 22 PHE CD1 C 13 131.908 0.002 . 3 . . 1793 . . 22 PHE CD1 . 17701 1 266 . 1 1 22 22 PHE CD2 C 13 131.908 0.002 . 3 . . 1793 . . 22 PHE CD2 . 17701 1 267 . 1 1 22 22 PHE CE1 C 13 131.068 0.034 . 3 . . 1795 . . 22 PHE CE1 . 17701 1 268 . 1 1 22 22 PHE CE2 C 13 131.068 0.034 . 3 . . 1795 . . 22 PHE CE2 . 17701 1 269 . 1 1 22 22 PHE CZ C 13 129.384 0.03 . 1 . . 1821 . . 22 PHE CZ . 17701 1 270 . 1 1 22 22 PHE N N 15 113.513 0.018 . 1 . . 655 . . 22 PHE N . 17701 1 271 . 1 1 23 23 ARG H H 1 7.763 0.002 . 1 . . 106 . . 23 ARG H . 17701 1 272 . 1 1 23 23 ARG HA H 1 3.874 0.006 . 1 . . 1688 . . 23 ARG HA . 17701 1 273 . 1 1 23 23 ARG HB2 H 1 1.927 0.002 . 2 . . 1689 . . 23 ARG HB2 . 17701 1 274 . 1 1 23 23 ARG HB3 H 1 2.017 0.002 . 2 . . 1690 . . 23 ARG HB3 . 17701 1 275 . 1 1 23 23 ARG HG2 H 1 1.626 0.003 . 2 . . 1691 . . 23 ARG HG2 . 17701 1 276 . 1 1 23 23 ARG HG3 H 1 1.512 0.002 . 2 . . 1692 . . 23 ARG HG3 . 17701 1 277 . 1 1 23 23 ARG HD2 H 1 3.296 0.001 . 2 . . 1693 . . 23 ARG HD2 . 17701 1 278 . 1 1 23 23 ARG HD3 H 1 3.130 0.002 . 2 . . 1694 . . 23 ARG HD3 . 17701 1 279 . 1 1 23 23 ARG C C 13 175.414 0.05 . 1 . . 758 . . 23 ARG C . 17701 1 280 . 1 1 23 23 ARG CA C 13 55.890 0.009 . 1 . . 659 . . 23 ARG CA . 17701 1 281 . 1 1 23 23 ARG CB C 13 27.042 0.01 . 1 . . 660 . . 23 ARG CB . 17701 1 282 . 1 1 23 23 ARG CG C 13 27.475 0.026 . 1 . . 1696 . . 23 ARG CG . 17701 1 283 . 1 1 23 23 ARG CD C 13 43.152 0.037 . 1 . . 1695 . . 23 ARG CD . 17701 1 284 . 1 1 23 23 ARG N N 15 115.912 0.035 . 1 . . 658 . . 23 ARG N . 17701 1 285 . 1 1 24 24 ILE H H 1 8.429 0.002 . 1 . . 756 . . 24 ILE H . 17701 1 286 . 1 1 24 24 ILE HA H 1 4.798 0.003 . 1 . . 1157 . . 24 ILE HA . 17701 1 287 . 1 1 24 24 ILE HB H 1 1.861 0.003 . 1 . . 1158 . . 24 ILE HB . 17701 1 288 . 1 1 24 24 ILE HG12 H 1 1.145 0.003 . 2 . . 1162 . . 24 ILE HG12 . 17701 1 289 . 1 1 24 24 ILE HG13 H 1 1.385 0.002 . 2 . . 1164 . . 24 ILE HG13 . 17701 1 290 . 1 1 24 24 ILE HG21 H 1 0.908 0.003 . 1 . . 1159 . . 24 ILE HG21 . 17701 1 291 . 1 1 24 24 ILE HG22 H 1 0.908 0.003 . 1 . . 1159 . . 24 ILE HG22 . 17701 1 292 . 1 1 24 24 ILE HG23 H 1 0.908 0.003 . 1 . . 1159 . . 24 ILE HG23 . 17701 1 293 . 1 1 24 24 ILE HD11 H 1 0.779 0.002 . 1 . . 1161 . . 24 ILE HD11 . 17701 1 294 . 1 1 24 24 ILE HD12 H 1 0.779 0.002 . 1 . . 1161 . . 24 ILE HD12 . 17701 1 295 . 1 1 24 24 ILE HD13 H 1 0.779 0.002 . 1 . . 1161 . . 24 ILE HD13 . 17701 1 296 . 1 1 24 24 ILE C C 13 174.100 0.05 . 1 . . 754 . . 24 ILE C . 17701 1 297 . 1 1 24 24 ILE CA C 13 58.941 0.005 . 1 . . 759 . . 24 ILE CA . 17701 1 298 . 1 1 24 24 ILE CB C 13 42.267 0.02 . 1 . . 760 . . 24 ILE CB . 17701 1 299 . 1 1 24 24 ILE CG1 C 13 26.039 0.021 . 1 . . 1163 . . 24 ILE CG1 . 17701 1 300 . 1 1 24 24 ILE CG2 C 13 17.386 0.009 . 1 . . 1160 . . 24 ILE CG2 . 17701 1 301 . 1 1 24 24 ILE CD1 C 13 14.795 0.006 . 1 . . 1769 . . 24 ILE CD1 . 17701 1 302 . 1 1 24 24 ILE N N 15 114.171 0.011 . 1 . . 757 . . 24 ILE N . 17701 1 303 . 1 1 25 25 SER H H 1 8.204 0.004 . 1 . . 752 . . 25 SER H . 17701 1 304 . 1 1 25 25 SER HA H 1 4.669 0.004 . 1 . . 1351 . . 25 SER HA . 17701 1 305 . 1 1 25 25 SER HB2 H 1 4.377 0.007 . 2 . . 1352 . . 25 SER HB2 . 17701 1 306 . 1 1 25 25 SER HB3 H 1 3.974 0.002 . 2 . . 1353 . . 25 SER HB3 . 17701 1 307 . 1 1 25 25 SER C C 13 176.134 0.05 . 1 . . 750 . . 25 SER C . 17701 1 308 . 1 1 25 25 SER CA C 13 56.733 0.019 . 1 . . 755 . . 25 SER CA . 17701 1 309 . 1 1 25 25 SER CB C 13 65.029 0.021 . 1 . . 751 . . 25 SER CB . 17701 1 310 . 1 1 25 25 SER N N 15 115.882 0.022 . 1 . . 753 . . 25 SER N . 17701 1 311 . 1 1 26 26 THR H H 1 8.922 0.004 . 1 . . 86 . . 26 THR H . 17701 1 312 . 1 1 26 26 THR HA H 1 3.759 0.006 . 1 . . 980 . . 26 THR HA . 17701 1 313 . 1 1 26 26 THR HB H 1 4.132 0.005 . 1 . . 979 . . 26 THR HB . 17701 1 314 . 1 1 26 26 THR HG21 H 1 1.256 0.006 . 1 . . 981 . . 26 THR HG21 . 17701 1 315 . 1 1 26 26 THR HG22 H 1 1.256 0.006 . 1 . . 981 . . 26 THR HG22 . 17701 1 316 . 1 1 26 26 THR HG23 H 1 1.256 0.006 . 1 . . 981 . . 26 THR HG23 . 17701 1 317 . 1 1 26 26 THR C C 13 177.268 0.05 . 1 . . 745 . . 26 THR C . 17701 1 318 . 1 1 26 26 THR CA C 13 66.046 0.037 . 1 . . 748 . . 26 THR CA . 17701 1 319 . 1 1 26 26 THR CB C 13 67.682 0.035 . 1 . . 749 . . 26 THR CB . 17701 1 320 . 1 1 26 26 THR CG2 C 13 23.115 0.017 . 1 . . 982 . . 26 THR CG2 . 17701 1 321 . 1 1 26 26 THR N N 15 114.472 0.024 . 1 . . 87 . . 26 THR N . 17701 1 322 . 1 1 27 27 ALA H H 1 8.066 0.005 . 1 . . 71 . . 27 ALA H . 17701 1 323 . 1 1 27 27 ALA HA H 1 4.055 0.007 . 1 . . 928 . . 27 ALA HA . 17701 1 324 . 1 1 27 27 ALA HB1 H 1 1.388 0.005 . 1 . . 929 . . 27 ALA HB1 . 17701 1 325 . 1 1 27 27 ALA HB2 H 1 1.388 0.005 . 1 . . 929 . . 27 ALA HB2 . 17701 1 326 . 1 1 27 27 ALA HB3 H 1 1.388 0.005 . 1 . . 929 . . 27 ALA HB3 . 17701 1 327 . 1 1 27 27 ALA C C 13 180.277 0.05 . 1 . . 742 . . 27 ALA C . 17701 1 328 . 1 1 27 27 ALA CA C 13 55.308 0.022 . 1 . . 747 . . 27 ALA CA . 17701 1 329 . 1 1 27 27 ALA CB C 13 17.991 0.041 . 1 . . 746 . . 27 ALA CB . 17701 1 330 . 1 1 27 27 ALA N N 15 123.026 0.01 . 1 . . 72 . . 27 ALA N . 17701 1 331 . 1 1 28 28 ALA H H 1 8.090 0.005 . 1 . . 122 . . 28 ALA H . 17701 1 332 . 1 1 28 28 ALA HA H 1 4.085 0.007 . 1 . . 926 . . 28 ALA HA . 17701 1 333 . 1 1 28 28 ALA HB1 H 1 1.468 0.007 . 1 . . 927 . . 28 ALA HB1 . 17701 1 334 . 1 1 28 28 ALA HB2 H 1 1.468 0.007 . 1 . . 927 . . 28 ALA HB2 . 17701 1 335 . 1 1 28 28 ALA HB3 H 1 1.468 0.007 . 1 . . 927 . . 28 ALA HB3 . 17701 1 336 . 1 1 28 28 ALA C C 13 181.214 0.05 . 1 . . 739 . . 28 ALA C . 17701 1 337 . 1 1 28 28 ALA CA C 13 54.774 0.032 . 1 . . 743 . . 28 ALA CA . 17701 1 338 . 1 1 28 28 ALA CB C 13 18.172 0.023 . 1 . . 744 . . 28 ALA CB . 17701 1 339 . 1 1 28 28 ALA N N 15 121.711 0.021 . 1 . . 123 . . 28 ALA N . 17701 1 340 . 1 1 29 29 LEU H H 1 7.682 0.003 . 1 . . 737 . . 29 LEU H . 17701 1 341 . 1 1 29 29 LEU HA H 1 3.820 0.003 . 1 . . 1259 . . 29 LEU HA . 17701 1 342 . 1 1 29 29 LEU HB3 H 1 1.704 0.002 . 1 . . 1260 . . 29 LEU HB3 . 17701 1 343 . 1 1 29 29 LEU HG H 1 1.551 0.002 . 1 . . 1862 . . 29 LEU HG . 17701 1 344 . 1 1 29 29 LEU HD21 H 1 0.779 0.002 . 1 . . 1261 . . 29 LEU HD21 . 17701 1 345 . 1 1 29 29 LEU HD22 H 1 0.779 0.002 . 1 . . 1261 . . 29 LEU HD22 . 17701 1 346 . 1 1 29 29 LEU HD23 H 1 0.779 0.002 . 1 . . 1261 . . 29 LEU HD23 . 17701 1 347 . 1 1 29 29 LEU C C 13 179.143 0.05 . 1 . . 735 . . 29 LEU C . 17701 1 348 . 1 1 29 29 LEU CA C 13 58.231 0.004 . 1 . . 740 . . 29 LEU CA . 17701 1 349 . 1 1 29 29 LEU CB C 13 42.375 0.023 . 1 . . 741 . . 29 LEU CB . 17701 1 350 . 1 1 29 29 LEU CG C 13 26.656 0.0 . 1 . . 1863 . . 29 LEU CG . 17701 1 351 . 1 1 29 29 LEU CD2 C 13 26.028 0.047 . 1 . . 1721 . . 29 LEU CD2 . 17701 1 352 . 1 1 29 29 LEU N N 15 119.581 0.022 . 1 . . 738 . . 29 LEU N . 17701 1 353 . 1 1 30 30 LEU H H 1 8.367 0.003 . 1 . . 182 . . 30 LEU H . 17701 1 354 . 1 1 30 30 LEU HA H 1 4.006 0.007 . 1 . . 1254 . . 30 LEU HA . 17701 1 355 . 1 1 30 30 LEU HB2 H 1 1.808 0.002 . 2 . . 1255 . . 30 LEU HB2 . 17701 1 356 . 1 1 30 30 LEU HB3 H 1 1.486 0.002 . 2 . . 1256 . . 30 LEU HB3 . 17701 1 357 . 1 1 30 30 LEU HG H 1 1.658 0.003 . 1 . . 1257 . . 30 LEU HG . 17701 1 358 . 1 1 30 30 LEU HD11 H 1 0.791 0.001 . 2 . . 1756 . . 30 LEU HD11 . 17701 1 359 . 1 1 30 30 LEU HD12 H 1 0.791 0.001 . 2 . . 1756 . . 30 LEU HD12 . 17701 1 360 . 1 1 30 30 LEU HD13 H 1 0.791 0.001 . 2 . . 1756 . . 30 LEU HD13 . 17701 1 361 . 1 1 30 30 LEU HD21 H 1 0.949 0.001 . 2 . . 1785 . . 30 LEU HD21 . 17701 1 362 . 1 1 30 30 LEU HD22 H 1 0.949 0.001 . 2 . . 1785 . . 30 LEU HD22 . 17701 1 363 . 1 1 30 30 LEU HD23 H 1 0.949 0.001 . 2 . . 1785 . . 30 LEU HD23 . 17701 1 364 . 1 1 30 30 LEU C C 13 179.657 0.05 . 1 . . 731 . . 30 LEU C . 17701 1 365 . 1 1 30 30 LEU CA C 13 57.605 0.013 . 1 . . 733 . . 30 LEU CA . 17701 1 366 . 1 1 30 30 LEU CB C 13 41.970 0.024 . 1 . . 736 . . 30 LEU CB . 17701 1 367 . 1 1 30 30 LEU CG C 13 27.555 0.0 . 1 . . 1258 . . 30 LEU CG . 17701 1 368 . 1 1 30 30 LEU CD1 C 13 23.859 0.009 . 2 . . 1757 . . 30 LEU CD1 . 17701 1 369 . 1 1 30 30 LEU CD2 C 13 25.282 0.004 . 2 . . 1786 . . 30 LEU CD2 . 17701 1 370 . 1 1 30 30 LEU N N 15 119.940 0.01 . 1 . . 183 . . 30 LEU N . 17701 1 371 . 1 1 31 31 GLN H H 1 8.141 0.004 . 1 . . 118 . . 31 GLN H . 17701 1 372 . 1 1 31 31 GLN HA H 1 3.927 0.006 . 1 . . 1588 . . 31 GLN HA . 17701 1 373 . 1 1 31 31 GLN HB2 H 1 2.079 0.004 . 2 . . 1589 . . 31 GLN HB2 . 17701 1 374 . 1 1 31 31 GLN HB3 H 1 2.123 0.005 . 2 . . 1590 . . 31 GLN HB3 . 17701 1 375 . 1 1 31 31 GLN HG2 H 1 2.461 0.004 . 2 . . 1591 . . 31 GLN HG2 . 17701 1 376 . 1 1 31 31 GLN HG3 H 1 2.364 0.005 . 2 . . 1592 . . 31 GLN HG3 . 17701 1 377 . 1 1 31 31 GLN HE21 H 1 7.444 0.003 . 1 . . 146 . . 31 GLN HE21 . 17701 1 378 . 1 1 31 31 GLN HE22 H 1 6.800 0.003 . 1 . . 148 . . 31 GLN HE22 . 17701 1 379 . 1 1 31 31 GLN C C 13 177.592 0.05 . 1 . . 726 . . 31 GLN C . 17701 1 380 . 1 1 31 31 GLN CA C 13 58.567 0.013 . 1 . . 732 . . 31 GLN CA . 17701 1 381 . 1 1 31 31 GLN CB C 13 28.310 0.041 . 1 . . 734 . . 31 GLN CB . 17701 1 382 . 1 1 31 31 GLN CG C 13 33.884 0.028 . 1 . . 893 . . 31 GLN CG . 17701 1 383 . 1 1 31 31 GLN N N 15 119.120 0.022 . 1 . . 119 . . 31 GLN N . 17701 1 384 . 1 1 31 31 GLN NE2 N 15 111.494 0.194 . 1 . . 147 . . 31 GLN NE2 . 17701 1 385 . 1 1 32 32 ALA H H 1 7.214 0.003 . 1 . . 107 . . 32 ALA H . 17701 1 386 . 1 1 32 32 ALA HA H 1 4.255 0.007 . 1 . . 924 . . 32 ALA HA . 17701 1 387 . 1 1 32 32 ALA HB1 H 1 1.350 0.006 . 1 . . 925 . . 32 ALA HB1 . 17701 1 388 . 1 1 32 32 ALA HB2 H 1 1.350 0.006 . 1 . . 925 . . 32 ALA HB2 . 17701 1 389 . 1 1 32 32 ALA HB3 H 1 1.350 0.006 . 1 . . 925 . . 32 ALA HB3 . 17701 1 390 . 1 1 32 32 ALA C C 13 176.322 0.05 . 1 . . 725 . . 32 ALA C . 17701 1 391 . 1 1 32 32 ALA CA C 13 52.568 0.005 . 1 . . 729 . . 32 ALA CA . 17701 1 392 . 1 1 32 32 ALA CB C 13 19.742 0.012 . 1 . . 727 . . 32 ALA CB . 17701 1 393 . 1 1 32 32 ALA N N 15 116.528 0.03 . 1 . . 108 . . 32 ALA N . 17701 1 394 . 1 1 33 33 ASN H H 1 7.337 0.002 . 1 . . 101 . . 33 ASN H . 17701 1 395 . 1 1 33 33 ASN HA H 1 5.236 0.004 . 1 . . 1472 . . 33 ASN HA . 17701 1 396 . 1 1 33 33 ASN HB2 H 1 2.982 0.003 . 2 . . 1473 . . 33 ASN HB2 . 17701 1 397 . 1 1 33 33 ASN HB3 H 1 2.369 0.002 . 2 . . 1474 . . 33 ASN HB3 . 17701 1 398 . 1 1 33 33 ASN HD21 H 1 9.167 0.004 . 1 . . 857 . . 33 ASN HD21 . 17701 1 399 . 1 1 33 33 ASN HD22 H 1 7.860 0.004 . 1 . . 855 . . 33 ASN HD22 . 17701 1 400 . 1 1 33 33 ASN C C 13 171.173 0.05 . 1 . . 1723 . . 33 ASN C . 17701 1 401 . 1 1 33 33 ASN CA C 13 50.638 0.089 . 1 . . 730 . . 33 ASN CA . 17701 1 402 . 1 1 33 33 ASN CB C 13 41.618 0.01 . 1 . . 728 . . 33 ASN CB . 17701 1 403 . 1 1 33 33 ASN N N 15 113.671 0.015 . 1 . . 102 . . 33 ASN N . 17701 1 404 . 1 1 33 33 ASN ND2 N 15 119.141 0.021 . 1 . . 856 . . 33 ASN ND2 . 17701 1 405 . 1 1 34 34 PRO HA H 1 4.509 0.004 . 1 . . 1412 . . 34 PRO HA . 17701 1 406 . 1 1 34 34 PRO HB2 H 1 2.411 0.004 . 2 . . 1413 . . 34 PRO HB2 . 17701 1 407 . 1 1 34 34 PRO HB3 H 1 1.996 0.003 . 2 . . 1414 . . 34 PRO HB3 . 17701 1 408 . 1 1 34 34 PRO HG2 H 1 2.094 0.002 . 2 . . 1418 . . 34 PRO HG2 . 17701 1 409 . 1 1 34 34 PRO HG3 H 1 2.045 0.005 . 2 . . 1420 . . 34 PRO HG3 . 17701 1 410 . 1 1 34 34 PRO HD2 H 1 3.765 0.003 . 2 . . 1415 . . 34 PRO HD2 . 17701 1 411 . 1 1 34 34 PRO HD3 H 1 3.446 0.005 . 2 . . 1417 . . 34 PRO HD3 . 17701 1 412 . 1 1 34 34 PRO C C 13 179.000 0.05 . 1 . . 720 . . 34 PRO C . 17701 1 413 . 1 1 34 34 PRO CA C 13 65.300 0.014 . 1 . . 723 . . 34 PRO CA . 17701 1 414 . 1 1 34 34 PRO CB C 13 31.682 0.009 . 1 . . 724 . . 34 PRO CB . 17701 1 415 . 1 1 34 34 PRO CG C 13 27.491 0.002 . 1 . . 1419 . . 34 PRO CG . 17701 1 416 . 1 1 34 34 PRO CD C 13 49.870 0.005 . 1 . . 1416 . . 34 PRO CD . 17701 1 417 . 1 1 35 35 SER H H 1 8.497 0.004 . 1 . . 718 . . 35 SER H . 17701 1 418 . 1 1 35 35 SER HA H 1 4.340 0.003 . 1 . . 1350 . . 35 SER HA . 17701 1 419 . 1 1 35 35 SER HB2 H 1 4.012 0.002 . 2 . . 1348 . . 35 SER HB2 . 17701 1 420 . 1 1 35 35 SER HB3 H 1 3.957 0.003 . 2 . . 1349 . . 35 SER HB3 . 17701 1 421 . 1 1 35 35 SER C C 13 176.679 0.05 . 1 . . 715 . . 35 SER C . 17701 1 422 . 1 1 35 35 SER CA C 13 60.581 0.028 . 1 . . 722 . . 35 SER CA . 17701 1 423 . 1 1 35 35 SER CB C 13 62.457 0.016 . 1 . . 721 . . 35 SER CB . 17701 1 424 . 1 1 35 35 SER N N 15 113.498 0.01 . 1 . . 719 . . 35 SER N . 17701 1 425 . 1 1 36 36 LEU H H 1 8.272 0.003 . 1 . . 713 . . 36 LEU H . 17701 1 426 . 1 1 36 36 LEU HA H 1 4.390 0.004 . 1 . . 1246 . . 36 LEU HA . 17701 1 427 . 1 1 36 36 LEU HB2 H 1 1.940 0.004 . 2 . . 1247 . . 36 LEU HB2 . 17701 1 428 . 1 1 36 36 LEU HB3 H 1 1.581 0.003 . 2 . . 1248 . . 36 LEU HB3 . 17701 1 429 . 1 1 36 36 LEU HG H 1 1.814 0.002 . 1 . . 1251 . . 36 LEU HG . 17701 1 430 . 1 1 36 36 LEU HD11 H 1 0.848 0.005 . 2 . . 1249 . . 36 LEU HD11 . 17701 1 431 . 1 1 36 36 LEU HD12 H 1 0.848 0.005 . 2 . . 1249 . . 36 LEU HD12 . 17701 1 432 . 1 1 36 36 LEU HD13 H 1 0.848 0.005 . 2 . . 1249 . . 36 LEU HD13 . 17701 1 433 . 1 1 36 36 LEU HD21 H 1 0.787 0.003 . 2 . . 1253 . . 36 LEU HD21 . 17701 1 434 . 1 1 36 36 LEU HD22 H 1 0.787 0.003 . 2 . . 1253 . . 36 LEU HD22 . 17701 1 435 . 1 1 36 36 LEU HD23 H 1 0.787 0.003 . 2 . . 1253 . . 36 LEU HD23 . 17701 1 436 . 1 1 36 36 LEU C C 13 178.477 0.05 . 1 . . 710 . . 36 LEU C . 17701 1 437 . 1 1 36 36 LEU CA C 13 56.046 0.005 . 1 . . 716 . . 36 LEU CA . 17701 1 438 . 1 1 36 36 LEU CB C 13 41.542 0.042 . 1 . . 717 . . 36 LEU CB . 17701 1 439 . 1 1 36 36 LEU CG C 13 26.767 0.009 . 1 . . 1252 . . 36 LEU CG . 17701 1 440 . 1 1 36 36 LEU CD1 C 13 25.803 0.009 . 2 . . 1250 . . 36 LEU CD1 . 17701 1 441 . 1 1 36 36 LEU CD2 C 13 26.058 0.008 . 2 . . 1755 . . 36 LEU CD2 . 17701 1 442 . 1 1 36 36 LEU N N 15 121.917 0.015 . 1 . . 714 . . 36 LEU N . 17701 1 443 . 1 1 37 37 GLN H H 1 7.871 0.003 . 1 . . 137 . . 37 GLN H . 17701 1 444 . 1 1 37 37 GLN HA H 1 4.047 0.002 . 1 . . 1582 . . 37 GLN HA . 17701 1 445 . 1 1 37 37 GLN HB2 H 1 2.187 0.004 . 2 . . 1583 . . 37 GLN HB2 . 17701 1 446 . 1 1 37 37 GLN HB3 H 1 2.124 0.005 . 2 . . 1584 . . 37 GLN HB3 . 17701 1 447 . 1 1 37 37 GLN HG2 H 1 2.455 0.004 . 2 . . 1585 . . 37 GLN HG2 . 17701 1 448 . 1 1 37 37 GLN HG3 H 1 2.511 0.005 . 2 . . 1587 . . 37 GLN HG3 . 17701 1 449 . 1 1 37 37 GLN HE21 H 1 6.870 0.001 . 1 . . 831 . . 37 GLN HE21 . 17701 1 450 . 1 1 37 37 GLN HE22 H 1 7.511 0.002 . 1 . . 833 . . 37 GLN HE22 . 17701 1 451 . 1 1 37 37 GLN C C 13 176.523 0.05 . 1 . . 707 . . 37 GLN C . 17701 1 452 . 1 1 37 37 GLN CA C 13 58.163 0.002 . 1 . . 712 . . 37 GLN CA . 17701 1 453 . 1 1 37 37 GLN CB C 13 28.564 0.031 . 1 . . 711 . . 37 GLN CB . 17701 1 454 . 1 1 37 37 GLN CG C 13 33.849 0.002 . 1 . . 1586 . . 37 GLN CG . 17701 1 455 . 1 1 37 37 GLN N N 15 119.864 0.007 . 1 . . 138 . . 37 GLN N . 17701 1 456 . 1 1 37 37 GLN NE2 N 15 111.475 0.231 . 1 . . 832 . . 37 GLN NE2 . 17701 1 457 . 1 1 38 38 ALA H H 1 7.626 0.004 . 1 . . 139 . . 38 ALA H . 17701 1 458 . 1 1 38 38 ALA HA H 1 4.419 0.004 . 1 . . 923 . . 38 ALA HA . 17701 1 459 . 1 1 38 38 ALA HB1 H 1 1.477 0.003 . 1 . . 922 . . 38 ALA HB1 . 17701 1 460 . 1 1 38 38 ALA HB2 H 1 1.477 0.003 . 1 . . 922 . . 38 ALA HB2 . 17701 1 461 . 1 1 38 38 ALA HB3 H 1 1.477 0.003 . 1 . . 922 . . 38 ALA HB3 . 17701 1 462 . 1 1 38 38 ALA C C 13 177.363 0.05 . 1 . . 705 . . 38 ALA C . 17701 1 463 . 1 1 38 38 ALA CA C 13 52.347 0.005 . 1 . . 708 . . 38 ALA CA . 17701 1 464 . 1 1 38 38 ALA CB C 13 19.171 0.013 . 1 . . 709 . . 38 ALA CB . 17701 1 465 . 1 1 38 38 ALA N N 15 119.384 0.018 . 1 . . 140 . . 38 ALA N . 17701 1 466 . 1 1 39 39 GLY H H 1 7.510 0.003 . 1 . . 41 . . 39 GLY H . 17701 1 467 . 1 1 39 39 GLY HA2 H 1 4.396 0.008 . 2 . . 1308 . . 39 GLY HA2 . 17701 1 468 . 1 1 39 39 GLY HA3 H 1 3.711 0.006 . 2 . . 1309 . . 39 GLY HA3 . 17701 1 469 . 1 1 39 39 GLY C C 13 171.843 0.05 . 1 . . 702 . . 39 GLY C . 17701 1 470 . 1 1 39 39 GLY CA C 13 44.248 0.018 . 1 . . 706 . . 39 GLY CA . 17701 1 471 . 1 1 39 39 GLY N N 15 107.456 0.008 . 1 . . 42 . . 39 GLY N . 17701 1 472 . 1 1 40 40 LEU H H 1 8.252 0.005 . 1 . . 120 . . 40 LEU H . 17701 1 473 . 1 1 40 40 LEU HA H 1 4.729 0.007 . 1 . . 1243 . . 40 LEU HA . 17701 1 474 . 1 1 40 40 LEU HB2 H 1 1.493 0.003 . 2 . . 1244 . . 40 LEU HB2 . 17701 1 475 . 1 1 40 40 LEU HB3 H 1 1.610 0.003 . 2 . . 1245 . . 40 LEU HB3 . 17701 1 476 . 1 1 40 40 LEU HG H 1 1.565 0.001 . 1 . . 1715 . . 40 LEU HG . 17701 1 477 . 1 1 40 40 LEU HD11 H 1 0.838 0.002 . 2 . . 1711 . . 40 LEU HD11 . 17701 1 478 . 1 1 40 40 LEU HD12 H 1 0.838 0.002 . 2 . . 1711 . . 40 LEU HD12 . 17701 1 479 . 1 1 40 40 LEU HD13 H 1 0.838 0.002 . 2 . . 1711 . . 40 LEU HD13 . 17701 1 480 . 1 1 40 40 LEU HD21 H 1 0.839 0.001 . 2 . . 1713 . . 40 LEU HD21 . 17701 1 481 . 1 1 40 40 LEU HD22 H 1 0.839 0.001 . 2 . . 1713 . . 40 LEU HD22 . 17701 1 482 . 1 1 40 40 LEU HD23 H 1 0.839 0.001 . 2 . . 1713 . . 40 LEU HD23 . 17701 1 483 . 1 1 40 40 LEU C C 13 176.778 0.05 . 1 . . 699 . . 40 LEU C . 17701 1 484 . 1 1 40 40 LEU CA C 13 54.770 0.013 . 1 . . 703 . . 40 LEU CA . 17701 1 485 . 1 1 40 40 LEU CB C 13 44.294 0.029 . 1 . . 704 . . 40 LEU CB . 17701 1 486 . 1 1 40 40 LEU CG C 13 27.316 0.005 . 1 . . 1716 . . 40 LEU CG . 17701 1 487 . 1 1 40 40 LEU CD1 C 13 22.995 0.003 . 2 . . 1712 . . 40 LEU CD1 . 17701 1 488 . 1 1 40 40 LEU CD2 C 13 24.960 0.004 . 2 . . 1714 . . 40 LEU CD2 . 17701 1 489 . 1 1 40 40 LEU N N 15 121.425 0.006 . 1 . . 121 . . 40 LEU N . 17701 1 490 . 1 1 41 41 THR H H 1 8.553 0.005 . 1 . . 125 . . 41 THR H . 17701 1 491 . 1 1 41 41 THR HA H 1 4.429 0.006 . 1 . . 976 . . 41 THR HA . 17701 1 492 . 1 1 41 41 THR HB H 1 3.835 0.008 . 1 . . 975 . . 41 THR HB . 17701 1 493 . 1 1 41 41 THR HG21 H 1 1.173 0.007 . 1 . . 977 . . 41 THR HG21 . 17701 1 494 . 1 1 41 41 THR HG22 H 1 1.173 0.007 . 1 . . 977 . . 41 THR HG22 . 17701 1 495 . 1 1 41 41 THR HG23 H 1 1.173 0.007 . 1 . . 977 . . 41 THR HG23 . 17701 1 496 . 1 1 41 41 THR C C 13 172.988 0.05 . 1 . . 698 . . 41 THR C . 17701 1 497 . 1 1 41 41 THR CA C 13 60.964 0.022 . 1 . . 700 . . 41 THR CA . 17701 1 498 . 1 1 41 41 THR CB C 13 71.131 0.024 . 1 . . 701 . . 41 THR CB . 17701 1 499 . 1 1 41 41 THR CG2 C 13 21.103 0.003 . 1 . . 978 . . 41 THR CG2 . 17701 1 500 . 1 1 41 41 THR N N 15 119.844 0.016 . 1 . . 126 . . 41 THR N . 17701 1 501 . 1 1 42 42 ALA H H 1 8.656 0.005 . 1 . . 155 . . 42 ALA H . 17701 1 502 . 1 1 42 42 ALA HA H 1 3.650 0.004 . 1 . . 920 . . 42 ALA HA . 17701 1 503 . 1 1 42 42 ALA HB1 H 1 1.283 0.002 . 1 . . 921 . . 42 ALA HB1 . 17701 1 504 . 1 1 42 42 ALA HB2 H 1 1.283 0.002 . 1 . . 921 . . 42 ALA HB2 . 17701 1 505 . 1 1 42 42 ALA HB3 H 1 1.283 0.002 . 1 . . 921 . . 42 ALA HB3 . 17701 1 506 . 1 1 42 42 ALA C C 13 178.202 0.05 . 1 . . 695 . . 42 ALA C . 17701 1 507 . 1 1 42 42 ALA CA C 13 53.742 0.018 . 1 . . 696 . . 42 ALA CA . 17701 1 508 . 1 1 42 42 ALA CB C 13 17.470 0.029 . 1 . . 697 . . 42 ALA CB . 17701 1 509 . 1 1 42 42 ALA N N 15 127.814 0.016 . 1 . . 156 . . 42 ALA N . 17701 1 510 . 1 1 43 43 GLY H H 1 8.914 0.002 . 1 . . 33 . . 43 GLY H . 17701 1 511 . 1 1 43 43 GLY HA2 H 1 4.386 0.009 . 2 . . 1306 . . 43 GLY HA2 . 17701 1 512 . 1 1 43 43 GLY HA3 H 1 3.487 0.005 . 2 . . 1307 . . 43 GLY HA3 . 17701 1 513 . 1 1 43 43 GLY C C 13 174.268 0.05 . 1 . . 693 . . 43 GLY C . 17701 1 514 . 1 1 43 43 GLY CA C 13 44.844 0.006 . 1 . . 691 . . 43 GLY CA . 17701 1 515 . 1 1 43 43 GLY N N 15 111.425 0.025 . 1 . . 34 . . 43 GLY N . 17701 1 516 . 1 1 44 44 GLN H H 1 7.613 0.004 . 1 . . 113 . . 44 GLN H . 17701 1 517 . 1 1 44 44 GLN HA H 1 4.331 0.005 . 1 . . 1576 . . 44 GLN HA . 17701 1 518 . 1 1 44 44 GLN HB2 H 1 2.204 0.005 . 2 . . 1577 . . 44 GLN HB2 . 17701 1 519 . 1 1 44 44 GLN HB3 H 1 2.013 0.005 . 2 . . 1578 . . 44 GLN HB3 . 17701 1 520 . 1 1 44 44 GLN HG2 H 1 2.341 0.005 . 2 . . 1579 . . 44 GLN HG2 . 17701 1 521 . 1 1 44 44 GLN HG3 H 1 2.261 0.004 . 2 . . 1581 . . 44 GLN HG3 . 17701 1 522 . 1 1 44 44 GLN HE21 H 1 7.359 0.002 . 1 . . 90 . . 44 GLN HE21 . 17701 1 523 . 1 1 44 44 GLN HE22 H 1 6.635 0.002 . 1 . . 92 . . 44 GLN HE22 . 17701 1 524 . 1 1 44 44 GLN C C 13 174.446 0.05 . 1 . . 689 . . 44 GLN C . 17701 1 525 . 1 1 44 44 GLN CA C 13 55.966 0.003 . 1 . . 690 . . 44 GLN CA . 17701 1 526 . 1 1 44 44 GLN CB C 13 30.274 0.029 . 1 . . 692 . . 44 GLN CB . 17701 1 527 . 1 1 44 44 GLN CG C 13 34.050 0.005 . 1 . . 1580 . . 44 GLN CG . 17701 1 528 . 1 1 44 44 GLN N N 15 120.836 0.01 . 1 . . 114 . . 44 GLN N . 17701 1 529 . 1 1 44 44 GLN NE2 N 15 109.251 0.004 . 1 . . 91 . . 44 GLN NE2 . 17701 1 530 . 1 1 45 45 SER H H 1 8.633 0.003 . 1 . . 130 . . 45 SER H . 17701 1 531 . 1 1 45 45 SER HA H 1 5.238 0.006 . 1 . . 1345 . . 45 SER HA . 17701 1 532 . 1 1 45 45 SER HB2 H 1 3.608 0.003 . 2 . . 1346 . . 45 SER HB2 . 17701 1 533 . 1 1 45 45 SER HB3 H 1 3.714 0.006 . 2 . . 1347 . . 45 SER HB3 . 17701 1 534 . 1 1 45 45 SER C C 13 174.404 0.05 . 1 . . 694 . . 45 SER C . 17701 1 535 . 1 1 45 45 SER CA C 13 57.931 0.013 . 1 . . 687 . . 45 SER CA . 17701 1 536 . 1 1 45 45 SER CB C 13 64.247 0.014 . 1 . . 688 . . 45 SER CB . 17701 1 537 . 1 1 45 45 SER N N 15 118.324 0.01 . 1 . . 131 . . 45 SER N . 17701 1 538 . 1 1 46 46 ILE H H 1 9.237 0.003 . 1 . . 82 . . 46 ILE H . 17701 1 539 . 1 1 46 46 ILE HA H 1 4.657 0.004 . 1 . . 1033 . . 46 ILE HA . 17701 1 540 . 1 1 46 46 ILE HB H 1 1.792 0.003 . 1 . . 1153 . . 46 ILE HB . 17701 1 541 . 1 1 46 46 ILE HG12 H 1 1.350 0.0 . 2 . . 1869 . . 46 ILE HG12 . 17701 1 542 . 1 1 46 46 ILE HG13 H 1 1.282 0.001 . 2 . . 1871 . . 46 ILE HG13 . 17701 1 543 . 1 1 46 46 ILE HG21 H 1 0.785 0.002 . 1 . . 1154 . . 46 ILE HG21 . 17701 1 544 . 1 1 46 46 ILE HG22 H 1 0.785 0.002 . 1 . . 1154 . . 46 ILE HG22 . 17701 1 545 . 1 1 46 46 ILE HG23 H 1 0.785 0.002 . 1 . . 1154 . . 46 ILE HG23 . 17701 1 546 . 1 1 46 46 ILE HD11 H 1 0.778 0.003 . 1 . . 1156 . . 46 ILE HD11 . 17701 1 547 . 1 1 46 46 ILE HD12 H 1 0.778 0.003 . 1 . . 1156 . . 46 ILE HD12 . 17701 1 548 . 1 1 46 46 ILE HD13 H 1 0.778 0.003 . 1 . . 1156 . . 46 ILE HD13 . 17701 1 549 . 1 1 46 46 ILE C C 13 173.913 0.05 . 1 . . 682 . . 46 ILE C . 17701 1 550 . 1 1 46 46 ILE CA C 13 59.122 0.004 . 1 . . 685 . . 46 ILE CA . 17701 1 551 . 1 1 46 46 ILE CB C 13 41.593 0.02 . 1 . . 686 . . 46 ILE CB . 17701 1 552 . 1 1 46 46 ILE CG1 C 13 25.456 0.001 . 1 . . 1870 . . 46 ILE CG1 . 17701 1 553 . 1 1 46 46 ILE CG2 C 13 18.016 0.013 . 1 . . 1155 . . 46 ILE CG2 . 17701 1 554 . 1 1 46 46 ILE CD1 C 13 14.959 0.044 . 1 . . 1770 . . 46 ILE CD1 . 17701 1 555 . 1 1 46 46 ILE N N 15 121.111 0.024 . 1 . . 83 . . 46 ILE N . 17701 1 556 . 1 1 47 47 VAL H H 1 9.298 0.003 . 1 . . 84 . . 47 VAL H . 17701 1 557 . 1 1 47 47 VAL HA H 1 4.804 0.003 . 1 . . 1034 . . 47 VAL HA . 17701 1 558 . 1 1 47 47 VAL HB H 1 1.815 0.003 . 1 . . 1035 . . 47 VAL HB . 17701 1 559 . 1 1 47 47 VAL HG11 H 1 0.798 0.003 . 2 . . 1036 . . 47 VAL HG11 . 17701 1 560 . 1 1 47 47 VAL HG12 H 1 0.798 0.003 . 2 . . 1036 . . 47 VAL HG12 . 17701 1 561 . 1 1 47 47 VAL HG13 H 1 0.798 0.003 . 2 . . 1036 . . 47 VAL HG13 . 17701 1 562 . 1 1 47 47 VAL HG21 H 1 0.846 0.003 . 2 . . 1038 . . 47 VAL HG21 . 17701 1 563 . 1 1 47 47 VAL HG22 H 1 0.846 0.003 . 2 . . 1038 . . 47 VAL HG22 . 17701 1 564 . 1 1 47 47 VAL HG23 H 1 0.846 0.003 . 2 . . 1038 . . 47 VAL HG23 . 17701 1 565 . 1 1 47 47 VAL C C 13 175.570 0.05 . 1 . . 681 . . 47 VAL C . 17701 1 566 . 1 1 47 47 VAL CA C 13 60.325 0.003 . 1 . . 684 . . 47 VAL CA . 17701 1 567 . 1 1 47 47 VAL CB C 13 33.498 0.01 . 1 . . 683 . . 47 VAL CB . 17701 1 568 . 1 1 47 47 VAL CG1 C 13 21.826 0.024 . 2 . . 1037 . . 47 VAL CG1 . 17701 1 569 . 1 1 47 47 VAL CG2 C 13 20.279 0.01 . 2 . . 1039 . . 47 VAL CG2 . 17701 1 570 . 1 1 47 47 VAL N N 15 119.361 0.019 . 1 . . 85 . . 47 VAL N . 17701 1 571 . 1 1 48 48 ILE H H 1 8.236 0.003 . 1 . . 70 . . 48 ILE H . 17701 1 572 . 1 1 48 48 ILE HA H 1 4.393 0.003 . 1 . . 1147 . . 48 ILE HA . 17701 1 573 . 1 1 48 48 ILE HB H 1 1.767 0.004 . 1 . . 1150 . . 48 ILE HB . 17701 1 574 . 1 1 48 48 ILE HG12 H 1 0.896 0.002 . 2 . . 1900 . . 48 ILE HG12 . 17701 1 575 . 1 1 48 48 ILE HG13 H 1 -0.169 0.003 . 2 . . 1898 . . 48 ILE HG13 . 17701 1 576 . 1 1 48 48 ILE HG21 H 1 0.447 0.002 . 1 . . 1151 . . 48 ILE HG21 . 17701 1 577 . 1 1 48 48 ILE HG22 H 1 0.447 0.002 . 1 . . 1151 . . 48 ILE HG22 . 17701 1 578 . 1 1 48 48 ILE HG23 H 1 0.447 0.002 . 1 . . 1151 . . 48 ILE HG23 . 17701 1 579 . 1 1 48 48 ILE HD11 H 1 -0.252 0.003 . 1 . . 1148 . . 48 ILE HD11 . 17701 1 580 . 1 1 48 48 ILE HD12 H 1 -0.252 0.003 . 1 . . 1148 . . 48 ILE HD12 . 17701 1 581 . 1 1 48 48 ILE HD13 H 1 -0.252 0.003 . 1 . . 1148 . . 48 ILE HD13 . 17701 1 582 . 1 1 48 48 ILE C C 13 173.642 0.05 . 1 . . 1724 . . 48 ILE C . 17701 1 583 . 1 1 48 48 ILE CA C 13 53.986 0.004 . 1 . . 895 . . 48 ILE CA . 17701 1 584 . 1 1 48 48 ILE CB C 13 35.212 0.006 . 1 . . 680 . . 48 ILE CB . 17701 1 585 . 1 1 48 48 ILE CG1 C 13 24.993 0.027 . 1 . . 1899 . . 48 ILE CG1 . 17701 1 586 . 1 1 48 48 ILE CG2 C 13 16.240 0.008 . 1 . . 1152 . . 48 ILE CG2 . 17701 1 587 . 1 1 48 48 ILE CD1 C 13 8.294 0.021 . 1 . . 1149 . . 48 ILE CD1 . 17701 1 588 . 1 1 48 48 ILE N N 15 124.637 0.016 . 1 . . 679 . . 48 ILE N . 17701 1 589 . 1 1 49 49 PRO HA H 1 4.237 0.004 . 1 . . 1411 . . 49 PRO HA . 17701 1 590 . 1 1 49 49 PRO HB2 H 1 2.084 0.002 . 2 . . 1421 . . 49 PRO HB2 . 17701 1 591 . 1 1 49 49 PRO HB3 H 1 1.926 0.003 . 2 . . 1422 . . 49 PRO HB3 . 17701 1 592 . 1 1 49 49 PRO HG2 H 1 1.725 0.005 . 2 . . 1754 . . 49 PRO HG2 . 17701 1 593 . 1 1 49 49 PRO HG3 H 1 1.883 0.001 . 2 . . 1833 . . 49 PRO HG3 . 17701 1 594 . 1 1 49 49 PRO HD2 H 1 3.559 0.001 . 2 . . 1834 . . 49 PRO HD2 . 17701 1 595 . 1 1 49 49 PRO HD3 H 1 3.489 0.004 . 2 . . 1836 . . 49 PRO HD3 . 17701 1 596 . 1 1 49 49 PRO C C 13 177.066 0.05 . 1 . . 676 . . 49 PRO C . 17701 1 597 . 1 1 49 49 PRO CA C 13 62.565 0.02 . 1 . . 677 . . 49 PRO CA . 17701 1 598 . 1 1 49 49 PRO CB C 13 32.095 0.009 . 1 . . 678 . . 49 PRO CB . 17701 1 599 . 1 1 49 49 PRO CG C 13 26.958 0.001 . 1 . . 1832 . . 49 PRO CG . 17701 1 600 . 1 1 49 49 PRO CD C 13 50.197 0.007 . 1 . . 1835 . . 49 PRO CD . 17701 1 601 . 1 1 50 50 GLY H H 1 8.057 0.004 . 1 . . 672 . . 50 GLY H . 17701 1 602 . 1 1 50 50 GLY HA2 H 1 4.119 0.008 . 2 . . 1304 . . 50 GLY HA2 . 17701 1 603 . 1 1 50 50 GLY HA3 H 1 3.632 0.008 . 2 . . 1305 . . 50 GLY HA3 . 17701 1 604 . 1 1 50 50 GLY C C 13 173.695 0.05 . 1 . . 671 . . 50 GLY C . 17701 1 605 . 1 1 50 50 GLY CA C 13 45.527 0.02 . 1 . . 673 . . 50 GLY CA . 17701 1 606 . 1 1 50 50 GLY N N 15 105.931 0.03 . 1 . . 39 . . 50 GLY N . 17701 1 607 . 1 1 51 51 LEU H H 1 7.228 0.004 . 1 . . 153 . . 51 LEU H . 17701 1 608 . 1 1 51 51 LEU HA H 1 4.958 0.004 . 1 . . 1235 . . 51 LEU HA . 17701 1 609 . 1 1 51 51 LEU HB2 H 1 1.473 0.002 . 2 . . 1282 . . 51 LEU HB2 . 17701 1 610 . 1 1 51 51 LEU HB3 H 1 1.469 0.003 . 2 . . 1238 . . 51 LEU HB3 . 17701 1 611 . 1 1 51 51 LEU HG H 1 1.689 0.002 . 1 . . 1241 . . 51 LEU HG . 17701 1 612 . 1 1 51 51 LEU HD11 H 1 1.049 0.002 . 2 . . 1758 . . 51 LEU HD11 . 17701 1 613 . 1 1 51 51 LEU HD12 H 1 1.049 0.002 . 2 . . 1758 . . 51 LEU HD12 . 17701 1 614 . 1 1 51 51 LEU HD13 H 1 1.049 0.002 . 2 . . 1758 . . 51 LEU HD13 . 17701 1 615 . 1 1 51 51 LEU HD21 H 1 1.030 0.005 . 2 . . 1236 . . 51 LEU HD21 . 17701 1 616 . 1 1 51 51 LEU HD22 H 1 1.030 0.005 . 2 . . 1236 . . 51 LEU HD22 . 17701 1 617 . 1 1 51 51 LEU HD23 H 1 1.030 0.005 . 2 . . 1236 . . 51 LEU HD23 . 17701 1 618 . 1 1 51 51 LEU CA C 13 50.953 0.011 . 1 . . 675 . . 51 LEU CA . 17701 1 619 . 1 1 51 51 LEU CB C 13 44.404 0.012 . 1 . . 674 . . 51 LEU CB . 17701 1 620 . 1 1 51 51 LEU CG C 13 27.293 0.001 . 1 . . 1242 . . 51 LEU CG . 17701 1 621 . 1 1 51 51 LEU CD1 C 13 24.204 0.01 . 2 . . 1237 . . 51 LEU CD1 . 17701 1 622 . 1 1 51 51 LEU CD2 C 13 26.721 0.028 . 2 . . 1858 . . 51 LEU CD2 . 17701 1 623 . 1 1 51 51 LEU N N 15 122.104 0.018 . 1 . . 154 . . 51 LEU N . 17701 1 624 . 1 1 52 52 PRO HA H 1 4.619 0.003 . 1 . . 1408 . . 52 PRO HA . 17701 1 625 . 1 1 52 52 PRO HB2 H 1 2.169 0.005 . 2 . . 1409 . . 52 PRO HB2 . 17701 1 626 . 1 1 52 52 PRO HB3 H 1 1.765 0.003 . 2 . . 1410 . . 52 PRO HB3 . 17701 1 627 . 1 1 52 52 PRO HG2 H 1 1.884 0.002 . 2 . . 1753 . . 52 PRO HG2 . 17701 1 628 . 1 1 52 52 PRO HG3 H 1 2.081 0.003 . 2 . . 1751 . . 52 PRO HG3 . 17701 1 629 . 1 1 52 52 PRO HD2 H 1 3.790 0.004 . 2 . . 1748 . . 52 PRO HD2 . 17701 1 630 . 1 1 52 52 PRO HD3 H 1 3.468 0.004 . 2 . . 1750 . . 52 PRO HD3 . 17701 1 631 . 1 1 52 52 PRO C C 13 174.576 0.05 . 1 . . 604 . . 52 PRO C . 17701 1 632 . 1 1 52 52 PRO CA C 13 61.610 0.006 . 1 . . 606 . . 52 PRO CA . 17701 1 633 . 1 1 52 52 PRO CB C 13 32.566 0.004 . 1 . . 608 . . 52 PRO CB . 17701 1 634 . 1 1 52 52 PRO CG C 13 27.156 0.001 . 1 . . 1752 . . 52 PRO CG . 17701 1 635 . 1 1 52 52 PRO CD C 13 50.016 0.016 . 1 . . 1749 . . 52 PRO CD . 17701 1 636 . 1 1 53 53 ASP H H 1 7.571 0.003 . 1 . . 104 . . 53 ASP H . 17701 1 637 . 1 1 53 53 ASP HA H 1 4.347 0.007 . 1 . . 1435 . . 53 ASP HA . 17701 1 638 . 1 1 53 53 ASP HB2 H 1 2.634 0.005 . 2 . . 1436 . . 53 ASP HB2 . 17701 1 639 . 1 1 53 53 ASP HB3 H 1 2.506 0.003 . 2 . . 1437 . . 53 ASP HB3 . 17701 1 640 . 1 1 53 53 ASP C C 13 176.909 0.05 . 1 . . 1725 . . 53 ASP C . 17701 1 641 . 1 1 53 53 ASP CA C 13 51.858 0.013 . 1 . . 605 . . 53 ASP CA . 17701 1 642 . 1 1 53 53 ASP CB C 13 42.266 0.023 . 1 . . 607 . . 53 ASP CB . 17701 1 643 . 1 1 53 53 ASP N N 15 116.527 0.024 . 1 . . 105 . . 53 ASP N . 17701 1 644 . 1 1 54 54 PRO HA H 1 4.271 0.004 . 1 . . 1402 . . 54 PRO HA . 17701 1 645 . 1 1 54 54 PRO HB2 H 1 2.764 0.003 . 2 . . 1403 . . 54 PRO HB2 . 17701 1 646 . 1 1 54 54 PRO HB3 H 1 1.684 0.003 . 2 . . 1404 . . 54 PRO HB3 . 17701 1 647 . 1 1 54 54 PRO HD2 H 1 4.030 0.006 . 2 . . 1405 . . 54 PRO HD2 . 17701 1 648 . 1 1 54 54 PRO HD3 H 1 4.337 0.003 . 2 . . 1407 . . 54 PRO HD3 . 17701 1 649 . 1 1 54 54 PRO C C 13 178.644 0.05 . 1 . . 599 . . 54 PRO C . 17701 1 650 . 1 1 54 54 PRO CA C 13 64.660 0.006 . 1 . . 601 . . 54 PRO CA . 17701 1 651 . 1 1 54 54 PRO CB C 13 32.860 0.021 . 1 . . 603 . . 54 PRO CB . 17701 1 652 . 1 1 54 54 PRO CD C 13 51.660 0.004 . 1 . . 1406 . . 54 PRO CD . 17701 1 653 . 1 1 55 55 TYR H H 1 8.343 0.002 . 1 . . 196 . . 55 TYR H . 17701 1 654 . 1 1 55 55 TYR HA H 1 4.444 0.007 . 1 . . 1654 . . 55 TYR HA . 17701 1 655 . 1 1 55 55 TYR HB2 H 1 3.188 0.006 . 2 . . 1655 . . 55 TYR HB2 . 17701 1 656 . 1 1 55 55 TYR HB3 H 1 3.073 0.003 . 2 . . 1656 . . 55 TYR HB3 . 17701 1 657 . 1 1 55 55 TYR HD1 H 1 7.337 0.002 . 3 . . 1803 . . 55 TYR HD1 . 17701 1 658 . 1 1 55 55 TYR HD2 H 1 7.337 0.002 . 3 . . 1803 . . 55 TYR HD2 . 17701 1 659 . 1 1 55 55 TYR HE1 H 1 6.877 0.003 . 3 . . 1805 . . 55 TYR HE1 . 17701 1 660 . 1 1 55 55 TYR HE2 H 1 6.877 0.003 . 3 . . 1805 . . 55 TYR HE2 . 17701 1 661 . 1 1 55 55 TYR C C 13 177.423 0.05 . 1 . . 596 . . 55 TYR C . 17701 1 662 . 1 1 55 55 TYR CA C 13 60.429 0.012 . 1 . . 600 . . 55 TYR CA . 17701 1 663 . 1 1 55 55 TYR CB C 13 36.581 0.024 . 1 . . 602 . . 55 TYR CB . 17701 1 664 . 1 1 55 55 TYR CD1 C 13 133.138 0.05 . 3 . . 1804 . . 55 TYR CD1 . 17701 1 665 . 1 1 55 55 TYR CD2 C 13 133.138 0.05 . 3 . . 1804 . . 55 TYR CD2 . 17701 1 666 . 1 1 55 55 TYR CE1 C 13 118.287 0.033 . 3 . . 1806 . . 55 TYR CE1 . 17701 1 667 . 1 1 55 55 TYR CE2 C 13 118.287 0.033 . 3 . . 1806 . . 55 TYR CE2 . 17701 1 668 . 1 1 55 55 TYR N N 15 115.980 0.028 . 1 . . 197 . . 55 TYR N . 17701 1 669 . 1 1 56 56 THR H H 1 8.028 0.005 . 1 . . 595 . . 56 THR H . 17701 1 670 . 1 1 56 56 THR HA H 1 4.379 0.006 . 1 . . 971 . . 56 THR HA . 17701 1 671 . 1 1 56 56 THR HB H 1 4.497 0.006 . 1 . . 972 . . 56 THR HB . 17701 1 672 . 1 1 56 56 THR HG21 H 1 1.332 0.004 . 1 . . 973 . . 56 THR HG21 . 17701 1 673 . 1 1 56 56 THR HG22 H 1 1.332 0.004 . 1 . . 973 . . 56 THR HG22 . 17701 1 674 . 1 1 56 56 THR HG23 H 1 1.332 0.004 . 1 . . 973 . . 56 THR HG23 . 17701 1 675 . 1 1 56 56 THR C C 13 173.774 0.05 . 1 . . 592 . . 56 THR C . 17701 1 676 . 1 1 56 56 THR CA C 13 62.163 0.03 . 1 . . 597 . . 56 THR CA . 17701 1 677 . 1 1 56 56 THR CB C 13 69.895 0.04 . 1 . . 598 . . 56 THR CB . 17701 1 678 . 1 1 56 56 THR CG2 C 13 22.227 0.01 . 1 . . 974 . . 56 THR CG2 . 17701 1 679 . 1 1 56 56 THR N N 15 109.682 0.02 . 1 . . 46 . . 56 THR N . 17701 1 680 . 1 1 57 57 ILE H H 1 7.399 0.006 . 1 . . 590 . . 57 ILE H . 17701 1 681 . 1 1 57 57 ILE HA H 1 4.591 0.004 . 1 . . 1138 . . 57 ILE HA . 17701 1 682 . 1 1 57 57 ILE HB H 1 2.154 0.004 . 1 . . 1139 . . 57 ILE HB . 17701 1 683 . 1 1 57 57 ILE HG12 H 1 1.165 0.002 . 2 . . 1144 . . 57 ILE HG12 . 17701 1 684 . 1 1 57 57 ILE HG13 H 1 1.581 0.003 . 2 . . 1145 . . 57 ILE HG13 . 17701 1 685 . 1 1 57 57 ILE HG21 H 1 1.362 0.003 . 1 . . 1142 . . 57 ILE HG21 . 17701 1 686 . 1 1 57 57 ILE HG22 H 1 1.362 0.003 . 1 . . 1142 . . 57 ILE HG22 . 17701 1 687 . 1 1 57 57 ILE HG23 H 1 1.362 0.003 . 1 . . 1142 . . 57 ILE HG23 . 17701 1 688 . 1 1 57 57 ILE HD11 H 1 0.851 0.004 . 1 . . 1140 . . 57 ILE HD11 . 17701 1 689 . 1 1 57 57 ILE HD12 H 1 0.851 0.004 . 1 . . 1140 . . 57 ILE HD12 . 17701 1 690 . 1 1 57 57 ILE HD13 H 1 0.851 0.004 . 1 . . 1140 . . 57 ILE HD13 . 17701 1 691 . 1 1 57 57 ILE C C 13 175.473 0.05 . 1 . . 1726 . . 57 ILE C . 17701 1 692 . 1 1 57 57 ILE CA C 13 57.825 0.058 . 1 . . 593 . . 57 ILE CA . 17701 1 693 . 1 1 57 57 ILE CB C 13 40.105 0.027 . 1 . . 594 . . 57 ILE CB . 17701 1 694 . 1 1 57 57 ILE CG1 C 13 27.183 0.0 . 1 . . 1146 . . 57 ILE CG1 . 17701 1 695 . 1 1 57 57 ILE CG2 C 13 18.271 0.007 . 1 . . 1143 . . 57 ILE CG2 . 17701 1 696 . 1 1 57 57 ILE CD1 C 13 13.839 0.009 . 1 . . 1141 . . 57 ILE CD1 . 17701 1 697 . 1 1 57 57 ILE N N 15 126.121 0.043 . 1 . . 591 . . 57 ILE N . 17701 1 698 . 1 1 58 58 PRO HA H 1 4.510 0.004 . 1 . . 1401 . . 58 PRO HA . 17701 1 699 . 1 1 58 58 PRO HB2 H 1 2.017 0.002 . 2 . . 1737 . . 58 PRO HB2 . 17701 1 700 . 1 1 58 58 PRO HB3 H 1 1.839 0.002 . 2 . . 1738 . . 58 PRO HB3 . 17701 1 701 . 1 1 58 58 PRO HG2 H 1 1.215 0.003 . 2 . . 1839 . . 58 PRO HG2 . 17701 1 702 . 1 1 58 58 PRO HG3 H 1 1.932 0.003 . 2 . . 1837 . . 58 PRO HG3 . 17701 1 703 . 1 1 58 58 PRO HD2 H 1 3.914 0.003 . 2 . . 1739 . . 58 PRO HD2 . 17701 1 704 . 1 1 58 58 PRO HD3 H 1 3.792 0.004 . 2 . . 1741 . . 58 PRO HD3 . 17701 1 705 . 1 1 58 58 PRO C C 13 176.499 0.05 . 1 . . 588 . . 58 PRO C . 17701 1 706 . 1 1 58 58 PRO CA C 13 64.264 0.011 . 1 . . 589 . . 58 PRO CA . 17701 1 707 . 1 1 58 58 PRO CB C 13 31.658 0.008 . 1 . . 1736 . . 58 PRO CB . 17701 1 708 . 1 1 58 58 PRO CG C 13 26.376 0.008 . 1 . . 1838 . . 58 PRO CG . 17701 1 709 . 1 1 58 58 PRO CD C 13 50.988 0.014 . 1 . . 1740 . . 58 PRO CD . 17701 1 710 . 1 1 59 59 TYR H H 1 6.603 0.003 . 1 . . 586 . . 59 TYR H . 17701 1 711 . 1 1 59 59 TYR HA H 1 5.549 0.008 . 1 . . 1651 . . 59 TYR HA . 17701 1 712 . 1 1 59 59 TYR HB2 H 1 2.614 0.006 . 2 . . 1652 . . 59 TYR HB2 . 17701 1 713 . 1 1 59 59 TYR HB3 H 1 2.997 0.007 . 2 . . 1653 . . 59 TYR HB3 . 17701 1 714 . 1 1 59 59 TYR HD1 H 1 6.970 0.005 . 3 . . 1807 . . 59 TYR HD1 . 17701 1 715 . 1 1 59 59 TYR HD2 H 1 6.970 0.005 . 3 . . 1807 . . 59 TYR HD2 . 17701 1 716 . 1 1 59 59 TYR HE1 H 1 6.838 0.001 . 3 . . 1955 . . 59 TYR HE1 . 17701 1 717 . 1 1 59 59 TYR HE2 H 1 6.838 0.001 . 3 . . 1955 . . 59 TYR HE2 . 17701 1 718 . 1 1 59 59 TYR C C 13 174.230 0.05 . 1 . . 581 . . 59 TYR C . 17701 1 719 . 1 1 59 59 TYR CA C 13 57.681 0.02 . 1 . . 583 . . 59 TYR CA . 17701 1 720 . 1 1 59 59 TYR CB C 13 41.791 0.021 . 1 . . 585 . . 59 TYR CB . 17701 1 721 . 1 1 59 59 TYR CD1 C 13 132.146 0.074 . 3 . . 1818 . . 59 TYR CD1 . 17701 1 722 . 1 1 59 59 TYR CD2 C 13 132.146 0.074 . 3 . . 1818 . . 59 TYR CD2 . 17701 1 723 . 1 1 59 59 TYR CE1 C 13 119.724 0.067 . 3 . . 1956 . . 59 TYR CE1 . 17701 1 724 . 1 1 59 59 TYR CE2 C 13 119.724 0.067 . 3 . . 1956 . . 59 TYR CE2 . 17701 1 725 . 1 1 59 59 TYR N N 15 119.859 0.016 . 1 . . 587 . . 59 TYR N . 17701 1 726 . 1 1 60 60 HIS H H 1 8.568 0.003 . 1 . . 174 . . 60 HIS H . 17701 1 727 . 1 1 60 60 HIS HA H 1 4.922 0.005 . 1 . . 1623 . . 60 HIS HA . 17701 1 728 . 1 1 60 60 HIS HB2 H 1 3.162 0.006 . 2 . . 1625 . . 60 HIS HB2 . 17701 1 729 . 1 1 60 60 HIS HB3 H 1 3.038 0.004 . 2 . . 1624 . . 60 HIS HB3 . 17701 1 730 . 1 1 60 60 HIS HD2 H 1 6.897 0.003 . 1 . . 1908 . . 60 HIS HD2 . 17701 1 731 . 1 1 60 60 HIS HE1 H 1 7.899 0.005 . 1 . . 1910 . . 60 HIS HE1 . 17701 1 732 . 1 1 60 60 HIS C C 13 173.371 0.05 . 1 . . 580 . . 60 HIS C . 17701 1 733 . 1 1 60 60 HIS CA C 13 55.806 0.033 . 1 . . 582 . . 60 HIS CA . 17701 1 734 . 1 1 60 60 HIS CB C 13 33.507 0.047 . 1 . . 584 . . 60 HIS CB . 17701 1 735 . 1 1 60 60 HIS CE1 C 13 138.484 0.05 . 1 . . 1912 . . 60 HIS CE1 . 17701 1 736 . 1 1 60 60 HIS N N 15 117.270 0.074 . 1 . . 175 . . 60 HIS N . 17701 1 737 . 1 1 60 60 HIS ND1 N 15 214.817 0.004 . 1 . . 1909 . . 60 HIS ND1 . 17701 1 738 . 1 1 60 60 HIS NE2 N 15 178.245 0.002 . 1 . . 1911 . . 60 HIS NE2 . 17701 1 739 . 1 1 61 61 ILE H H 1 8.484 0.015 . 1 . . 167 . . 61 ILE H . 17701 1 740 . 1 1 61 61 ILE HA H 1 4.958 0.006 . 1 . . 1132 . . 61 ILE HA . 17701 1 741 . 1 1 61 61 ILE HB H 1 1.832 0.003 . 1 . . 1133 . . 61 ILE HB . 17701 1 742 . 1 1 61 61 ILE HG12 H 1 1.599 0.002 . 2 . . 1767 . . 61 ILE HG12 . 17701 1 743 . 1 1 61 61 ILE HG13 H 1 0.863 0.002 . 2 . . 1852 . . 61 ILE HG13 . 17701 1 744 . 1 1 61 61 ILE HG21 H 1 0.738 0.002 . 1 . . 1134 . . 61 ILE HG21 . 17701 1 745 . 1 1 61 61 ILE HG22 H 1 0.738 0.002 . 1 . . 1134 . . 61 ILE HG22 . 17701 1 746 . 1 1 61 61 ILE HG23 H 1 0.738 0.002 . 1 . . 1134 . . 61 ILE HG23 . 17701 1 747 . 1 1 61 61 ILE HD11 H 1 0.764 0.004 . 1 . . 1136 . . 61 ILE HD11 . 17701 1 748 . 1 1 61 61 ILE HD12 H 1 0.764 0.004 . 1 . . 1136 . . 61 ILE HD12 . 17701 1 749 . 1 1 61 61 ILE HD13 H 1 0.764 0.004 . 1 . . 1136 . . 61 ILE HD13 . 17701 1 750 . 1 1 61 61 ILE C C 13 172.794 0.05 . 1 . . 576 . . 61 ILE C . 17701 1 751 . 1 1 61 61 ILE CA C 13 59.690 0.014 . 1 . . 578 . . 61 ILE CA . 17701 1 752 . 1 1 61 61 ILE CB C 13 40.168 0.037 . 1 . . 577 . . 61 ILE CB . 17701 1 753 . 1 1 61 61 ILE CG1 C 13 28.695 0.001 . 1 . . 1853 . . 61 ILE CG1 . 17701 1 754 . 1 1 61 61 ILE CG2 C 13 18.348 0.003 . 1 . . 1135 . . 61 ILE CG2 . 17701 1 755 . 1 1 61 61 ILE CD1 C 13 15.017 0.013 . 1 . . 1137 . . 61 ILE CD1 . 17701 1 756 . 1 1 61 61 ILE N N 15 126.205 0.041 . 1 . . 579 . . 61 ILE N . 17701 1 757 . 1 1 62 62 ALA H H 1 8.959 0.004 . 1 . . 168 . . 62 ALA H . 17701 1 758 . 1 1 62 62 ALA HA H 1 5.346 0.006 . 1 . . 918 . . 62 ALA HA . 17701 1 759 . 1 1 62 62 ALA HB1 H 1 1.306 0.004 . 1 . . 919 . . 62 ALA HB1 . 17701 1 760 . 1 1 62 62 ALA HB2 H 1 1.306 0.004 . 1 . . 919 . . 62 ALA HB2 . 17701 1 761 . 1 1 62 62 ALA HB3 H 1 1.306 0.004 . 1 . . 919 . . 62 ALA HB3 . 17701 1 762 . 1 1 62 62 ALA C C 13 176.725 0.05 . 1 . . 573 . . 62 ALA C . 17701 1 763 . 1 1 62 62 ALA CA C 13 50.052 0.026 . 1 . . 574 . . 62 ALA CA . 17701 1 764 . 1 1 62 62 ALA CB C 13 21.653 0.013 . 1 . . 575 . . 62 ALA CB . 17701 1 765 . 1 1 62 62 ALA N N 15 129.267 0.066 . 1 . . 169 . . 62 ALA N . 17701 1 766 . 1 1 63 63 VAL H H 1 9.492 0.002 . 1 . . 55 . . 63 VAL H . 17701 1 767 . 1 1 63 63 VAL HA H 1 4.626 0.012 . 1 . . 1027 . . 63 VAL HA . 17701 1 768 . 1 1 63 63 VAL HB H 1 2.084 0.003 . 1 . . 1028 . . 63 VAL HB . 17701 1 769 . 1 1 63 63 VAL HG11 H 1 0.703 0.002 . 2 . . 1029 . . 63 VAL HG11 . 17701 1 770 . 1 1 63 63 VAL HG12 H 1 0.703 0.002 . 2 . . 1029 . . 63 VAL HG12 . 17701 1 771 . 1 1 63 63 VAL HG13 H 1 0.703 0.002 . 2 . . 1029 . . 63 VAL HG13 . 17701 1 772 . 1 1 63 63 VAL HG21 H 1 0.749 0.004 . 2 . . 1031 . . 63 VAL HG21 . 17701 1 773 . 1 1 63 63 VAL HG22 H 1 0.749 0.004 . 2 . . 1031 . . 63 VAL HG22 . 17701 1 774 . 1 1 63 63 VAL HG23 H 1 0.749 0.004 . 2 . . 1031 . . 63 VAL HG23 . 17701 1 775 . 1 1 63 63 VAL C C 13 174.168 0.05 . 1 . . 568 . . 63 VAL C . 17701 1 776 . 1 1 63 63 VAL CA C 13 61.200 0.015 . 1 . . 571 . . 63 VAL CA . 17701 1 777 . 1 1 63 63 VAL CB C 13 33.925 0.019 . 1 . . 572 . . 63 VAL CB . 17701 1 778 . 1 1 63 63 VAL CG1 C 13 20.500 0.004 . 2 . . 1030 . . 63 VAL CG1 . 17701 1 779 . 1 1 63 63 VAL CG2 C 13 21.484 0.016 . 2 . . 1032 . . 63 VAL CG2 . 17701 1 780 . 1 1 63 63 VAL N N 15 126.741 0.011 . 1 . . 56 . . 63 VAL N . 17701 1 781 . 1 1 64 64 SER H H 1 8.749 0.003 . 1 . . 566 . . 64 SER H . 17701 1 782 . 1 1 64 64 SER HA H 1 5.111 0.006 . 1 . . 1344 . . 64 SER HA . 17701 1 783 . 1 1 64 64 SER HB2 H 1 3.944 0.004 . 2 . . 1342 . . 64 SER HB2 . 17701 1 784 . 1 1 64 64 SER HB3 H 1 3.773 0.002 . 2 . . 1343 . . 64 SER HB3 . 17701 1 785 . 1 1 64 64 SER C C 13 175.931 0.05 . 1 . . 565 . . 64 SER C . 17701 1 786 . 1 1 64 64 SER CA C 13 55.117 0.009 . 1 . . 570 . . 64 SER CA . 17701 1 787 . 1 1 64 64 SER CB C 13 62.916 0.011 . 1 . . 569 . . 64 SER CB . 17701 1 788 . 1 1 64 64 SER N N 15 122.156 0.02 . 1 . . 567 . . 64 SER N . 17701 1 789 . 1 1 65 65 ILE H H 1 8.713 0.003 . 1 . . 561 . . 65 ILE H . 17701 1 790 . 1 1 65 65 ILE HA H 1 3.607 0.005 . 1 . . 1123 . . 65 ILE HA . 17701 1 791 . 1 1 65 65 ILE HB H 1 2.006 0.006 . 1 . . 1124 . . 65 ILE HB . 17701 1 792 . 1 1 65 65 ILE HG12 H 1 1.070 0.002 . 2 . . 1129 . . 65 ILE HG12 . 17701 1 793 . 1 1 65 65 ILE HG13 H 1 1.534 0.003 . 2 . . 1131 . . 65 ILE HG13 . 17701 1 794 . 1 1 65 65 ILE HG21 H 1 0.878 0.003 . 1 . . 1127 . . 65 ILE HG21 . 17701 1 795 . 1 1 65 65 ILE HG22 H 1 0.878 0.003 . 1 . . 1127 . . 65 ILE HG22 . 17701 1 796 . 1 1 65 65 ILE HG23 H 1 0.878 0.003 . 1 . . 1127 . . 65 ILE HG23 . 17701 1 797 . 1 1 65 65 ILE HD11 H 1 0.739 0.003 . 1 . . 1125 . . 65 ILE HD11 . 17701 1 798 . 1 1 65 65 ILE HD12 H 1 0.739 0.003 . 1 . . 1125 . . 65 ILE HD12 . 17701 1 799 . 1 1 65 65 ILE HD13 H 1 0.739 0.003 . 1 . . 1125 . . 65 ILE HD13 . 17701 1 800 . 1 1 65 65 ILE C C 13 178.463 0.05 . 1 . . 559 . . 65 ILE C . 17701 1 801 . 1 1 65 65 ILE CA C 13 64.481 0.041 . 1 . . 563 . . 65 ILE CA . 17701 1 802 . 1 1 65 65 ILE CB C 13 37.335 0.021 . 1 . . 564 . . 65 ILE CB . 17701 1 803 . 1 1 65 65 ILE CG1 C 13 28.664 0.01 . 1 . . 1130 . . 65 ILE CG1 . 17701 1 804 . 1 1 65 65 ILE CG2 C 13 17.439 0.011 . 1 . . 1128 . . 65 ILE CG2 . 17701 1 805 . 1 1 65 65 ILE CD1 C 13 13.217 0.015 . 1 . . 1126 . . 65 ILE CD1 . 17701 1 806 . 1 1 65 65 ILE N N 15 128.110 0.009 . 1 . . 562 . . 65 ILE N . 17701 1 807 . 1 1 66 66 GLY H H 1 8.512 0.003 . 1 . . 29 . . 66 GLY H . 17701 1 808 . 1 1 66 66 GLY HA2 H 1 3.810 0.005 . 2 . . 1303 . . 66 GLY HA2 . 17701 1 809 . 1 1 66 66 GLY HA3 H 1 3.862 0.007 . 2 . . 1302 . . 66 GLY HA3 . 17701 1 810 . 1 1 66 66 GLY C C 13 175.347 0.05 . 1 . . 556 . . 66 GLY C . 17701 1 811 . 1 1 66 66 GLY CA C 13 47.145 0.019 . 1 . . 560 . . 66 GLY CA . 17701 1 812 . 1 1 66 66 GLY N N 15 107.502 0.03 . 1 . . 30 . . 66 GLY N . 17701 1 813 . 1 1 67 67 ALA H H 1 7.632 0.008 . 1 . . 554 . . 67 ALA H . 17701 1 814 . 1 1 67 67 ALA HA H 1 4.340 0.006 . 1 . . 917 . . 67 ALA HA . 17701 1 815 . 1 1 67 67 ALA HB1 H 1 1.350 0.01 . 1 . . 916 . . 67 ALA HB1 . 17701 1 816 . 1 1 67 67 ALA HB2 H 1 1.350 0.01 . 1 . . 916 . . 67 ALA HB2 . 17701 1 817 . 1 1 67 67 ALA HB3 H 1 1.350 0.01 . 1 . . 916 . . 67 ALA HB3 . 17701 1 818 . 1 1 67 67 ALA C C 13 176.725 0.05 . 1 . . 551 . . 67 ALA C . 17701 1 819 . 1 1 67 67 ALA CA C 13 51.884 0.088 . 1 . . 558 . . 67 ALA CA . 17701 1 820 . 1 1 67 67 ALA CB C 13 18.940 0.026 . 1 . . 557 . . 67 ALA CB . 17701 1 821 . 1 1 67 67 ALA N N 15 120.110 0.013 . 1 . . 555 . . 67 ALA N . 17701 1 822 . 1 1 68 68 LYS H H 1 7.723 0.003 . 1 . . 550 . . 68 LYS H . 17701 1 823 . 1 1 68 68 LYS HA H 1 3.448 0.004 . 1 . . 1537 . . 68 LYS HA . 17701 1 824 . 1 1 68 68 LYS HB2 H 1 2.253 0.004 . 2 . . 1539 . . 68 LYS HB2 . 17701 1 825 . 1 1 68 68 LYS HB3 H 1 2.298 0.004 . 2 . . 1538 . . 68 LYS HB3 . 17701 1 826 . 1 1 68 68 LYS HG2 H 1 1.394 0.003 . 2 . . 1540 . . 68 LYS HG2 . 17701 1 827 . 1 1 68 68 LYS HG3 H 1 1.259 0.003 . 2 . . 1542 . . 68 LYS HG3 . 17701 1 828 . 1 1 68 68 LYS HD2 H 1 1.662 0.005 . 2 . . 1545 . . 68 LYS HD2 . 17701 1 829 . 1 1 68 68 LYS HD3 H 1 1.442 0.002 . 2 . . 1543 . . 68 LYS HD3 . 17701 1 830 . 1 1 68 68 LYS HE2 H 1 2.911 0.003 . 2 . . 1546 . . 68 LYS HE2 . 17701 1 831 . 1 1 68 68 LYS HE3 H 1 2.967 0.003 . 2 . . 1548 . . 68 LYS HE3 . 17701 1 832 . 1 1 68 68 LYS C C 13 176.359 0.05 . 1 . . 547 . . 68 LYS C . 17701 1 833 . 1 1 68 68 LYS CA C 13 57.094 0.045 . 1 . . 553 . . 68 LYS CA . 17701 1 834 . 1 1 68 68 LYS CB C 13 27.665 0.024 . 1 . . 552 . . 68 LYS CB . 17701 1 835 . 1 1 68 68 LYS CG C 13 24.372 0.009 . 1 . . 1541 . . 68 LYS CG . 17701 1 836 . 1 1 68 68 LYS CD C 13 29.329 0.002 . 1 . . 1544 . . 68 LYS CD . 17701 1 837 . 1 1 68 68 LYS CE C 13 42.264 0.003 . 1 . . 1547 . . 68 LYS CE . 17701 1 838 . 1 1 68 68 LYS N N 15 114.437 0.022 . 1 . . 103 . . 68 LYS N . 17701 1 839 . 1 1 69 69 THR H H 1 7.626 0.004 . 1 . . 546 . . 69 THR H . 17701 1 840 . 1 1 69 69 THR HA H 1 5.276 0.005 . 1 . . 970 . . 69 THR HA . 17701 1 841 . 1 1 69 69 THR HB H 1 3.927 0.005 . 1 . . 969 . . 69 THR HB . 17701 1 842 . 1 1 69 69 THR HG21 H 1 1.017 0.006 . 1 . . 947 . . 69 THR HG21 . 17701 1 843 . 1 1 69 69 THR HG22 H 1 1.017 0.006 . 1 . . 947 . . 69 THR HG22 . 17701 1 844 . 1 1 69 69 THR HG23 H 1 1.017 0.006 . 1 . . 947 . . 69 THR HG23 . 17701 1 845 . 1 1 69 69 THR C C 13 172.594 0.05 . 1 . . 545 . . 69 THR C . 17701 1 846 . 1 1 69 69 THR CA C 13 59.354 0.023 . 1 . . 548 . . 69 THR CA . 17701 1 847 . 1 1 69 69 THR CB C 13 73.815 0.043 . 1 . . 549 . . 69 THR CB . 17701 1 848 . 1 1 69 69 THR CG2 C 13 21.191 0.007 . 1 . . 948 . . 69 THR CG2 . 17701 1 849 . 1 1 69 69 THR N N 15 107.396 0.021 . 1 . . 40 . . 69 THR N . 17701 1 850 . 1 1 70 70 LEU H H 1 9.423 0.002 . 1 . . 543 . . 70 LEU H . 17701 1 851 . 1 1 70 70 LEU HA H 1 5.007 0.004 . 1 . . 1226 . . 70 LEU HA . 17701 1 852 . 1 1 70 70 LEU HB2 H 1 1.602 0.002 . 2 . . 1227 . . 70 LEU HB2 . 17701 1 853 . 1 1 70 70 LEU HB3 H 1 1.507 0.004 . 2 . . 1228 . . 70 LEU HB3 . 17701 1 854 . 1 1 70 70 LEU HG H 1 1.417 0.004 . 1 . . 1233 . . 70 LEU HG . 17701 1 855 . 1 1 70 70 LEU HD11 H 1 0.743 0.003 . 2 . . 1229 . . 70 LEU HD11 . 17701 1 856 . 1 1 70 70 LEU HD12 H 1 0.743 0.003 . 2 . . 1229 . . 70 LEU HD12 . 17701 1 857 . 1 1 70 70 LEU HD13 H 1 0.743 0.003 . 2 . . 1229 . . 70 LEU HD13 . 17701 1 858 . 1 1 70 70 LEU HD21 H 1 0.772 0.002 . 2 . . 1231 . . 70 LEU HD21 . 17701 1 859 . 1 1 70 70 LEU HD22 H 1 0.772 0.002 . 2 . . 1231 . . 70 LEU HD22 . 17701 1 860 . 1 1 70 70 LEU HD23 H 1 0.772 0.002 . 2 . . 1231 . . 70 LEU HD23 . 17701 1 861 . 1 1 70 70 LEU C C 13 174.937 0.05 . 1 . . 540 . . 70 LEU C . 17701 1 862 . 1 1 70 70 LEU CA C 13 55.232 0.005 . 1 . . 542 . . 70 LEU CA . 17701 1 863 . 1 1 70 70 LEU CB C 13 45.807 0.011 . 1 . . 541 . . 70 LEU CB . 17701 1 864 . 1 1 70 70 LEU CG C 13 27.837 0.009 . 1 . . 1234 . . 70 LEU CG . 17701 1 865 . 1 1 70 70 LEU CD1 C 13 27.556 0.003 . 2 . . 1230 . . 70 LEU CD1 . 17701 1 866 . 1 1 70 70 LEU CD2 C 13 25.295 0.011 . 2 . . 1232 . . 70 LEU CD2 . 17701 1 867 . 1 1 70 70 LEU N N 15 125.265 0.014 . 1 . . 544 . . 70 LEU N . 17701 1 868 . 1 1 71 71 THR H H 1 9.662 0.006 . 1 . . 213 . . 71 THR H . 17701 1 869 . 1 1 71 71 THR HA H 1 5.030 0.005 . 1 . . 968 . . 71 THR HA . 17701 1 870 . 1 1 71 71 THR HB H 1 4.022 0.01 . 1 . . 965 . . 71 THR HB . 17701 1 871 . 1 1 71 71 THR HG21 H 1 1.187 0.006 . 1 . . 941 . . 71 THR HG21 . 17701 1 872 . 1 1 71 71 THR HG22 H 1 1.187 0.006 . 1 . . 941 . . 71 THR HG22 . 17701 1 873 . 1 1 71 71 THR HG23 H 1 1.187 0.006 . 1 . . 941 . . 71 THR HG23 . 17701 1 874 . 1 1 71 71 THR C C 13 173.150 0.05 . 1 . . 535 . . 71 THR C . 17701 1 875 . 1 1 71 71 THR CA C 13 62.213 0.029 . 1 . . 537 . . 71 THR CA . 17701 1 876 . 1 1 71 71 THR CB C 13 70.626 0.018 . 1 . . 538 . . 71 THR CB . 17701 1 877 . 1 1 71 71 THR CG2 C 13 22.487 0.037 . 1 . . 942 . . 71 THR CG2 . 17701 1 878 . 1 1 71 71 THR N N 15 123.471 0.022 . 1 . . 214 . . 71 THR N . 17701 1 879 . 1 1 72 72 LEU H H 1 9.338 0.004 . 1 . . 170 . . 72 LEU H . 17701 1 880 . 1 1 72 72 LEU HA H 1 5.002 0.004 . 1 . . 1217 . . 72 LEU HA . 17701 1 881 . 1 1 72 72 LEU HB2 H 1 1.159 0.003 . 2 . . 1218 . . 72 LEU HB2 . 17701 1 882 . 1 1 72 72 LEU HB3 H 1 2.071 0.004 . 2 . . 1219 . . 72 LEU HB3 . 17701 1 883 . 1 1 72 72 LEU HG H 1 1.577 0.004 . 1 . . 1222 . . 72 LEU HG . 17701 1 884 . 1 1 72 72 LEU HD11 H 1 0.918 0.002 . 2 . . 1224 . . 72 LEU HD11 . 17701 1 885 . 1 1 72 72 LEU HD12 H 1 0.918 0.002 . 2 . . 1224 . . 72 LEU HD12 . 17701 1 886 . 1 1 72 72 LEU HD13 H 1 0.918 0.002 . 2 . . 1224 . . 72 LEU HD13 . 17701 1 887 . 1 1 72 72 LEU HD21 H 1 0.902 0.003 . 2 . . 1220 . . 72 LEU HD21 . 17701 1 888 . 1 1 72 72 LEU HD22 H 1 0.902 0.003 . 2 . . 1220 . . 72 LEU HD22 . 17701 1 889 . 1 1 72 72 LEU HD23 H 1 0.902 0.003 . 2 . . 1220 . . 72 LEU HD23 . 17701 1 890 . 1 1 72 72 LEU C C 13 174.643 0.05 . 1 . . 533 . . 72 LEU C . 17701 1 891 . 1 1 72 72 LEU CA C 13 53.692 0.012 . 1 . . 536 . . 72 LEU CA . 17701 1 892 . 1 1 72 72 LEU CB C 13 45.358 0.036 . 1 . . 539 . . 72 LEU CB . 17701 1 893 . 1 1 72 72 LEU CG C 13 27.645 0.003 . 1 . . 1223 . . 72 LEU CG . 17701 1 894 . 1 1 72 72 LEU CD1 C 13 26.652 0.026 . 2 . . 1225 . . 72 LEU CD1 . 17701 1 895 . 1 1 72 72 LEU CD2 C 13 24.070 0.015 . 2 . . 1221 . . 72 LEU CD2 . 17701 1 896 . 1 1 72 72 LEU N N 15 131.482 0.03 . 1 . . 534 . . 72 LEU N . 17701 1 897 . 1 1 73 73 SER H H 1 9.299 0.011 . 1 . . 1341 . . 73 SER H . 17701 1 898 . 1 1 73 73 SER HA H 1 5.320 0.008 . 1 . . 1338 . . 73 SER HA . 17701 1 899 . 1 1 73 73 SER HB2 H 1 3.353 0.002 . 2 . . 1339 . . 73 SER HB2 . 17701 1 900 . 1 1 73 73 SER HB3 H 1 3.265 0.003 . 2 . . 1340 . . 73 SER HB3 . 17701 1 901 . 1 1 73 73 SER C C 13 171.258 0.05 . 1 . . 526 . . 73 SER C . 17701 1 902 . 1 1 73 73 SER CA C 13 57.909 0.009 . 1 . . 529 . . 73 SER CA . 17701 1 903 . 1 1 73 73 SER CB C 13 65.960 0.011 . 1 . . 530 . . 73 SER CB . 17701 1 904 . 1 1 73 73 SER N N 15 123.898 0.021 . 1 . . 171 . . 73 SER N . 17701 1 905 . 1 1 74 74 LEU H H 1 8.716 0.003 . 1 . . 524 . . 74 LEU H . 17701 1 906 . 1 1 74 74 LEU HA H 1 4.632 0.01 . 1 . . 1212 . . 74 LEU HA . 17701 1 907 . 1 1 74 74 LEU HB2 H 1 1.736 0.003 . 2 . . 1215 . . 74 LEU HB2 . 17701 1 908 . 1 1 74 74 LEU HB3 H 1 1.506 0.004 . 2 . . 1216 . . 74 LEU HB3 . 17701 1 909 . 1 1 74 74 LEU HG H 1 1.225 0.003 . 1 . . 1213 . . 74 LEU HG . 17701 1 910 . 1 1 74 74 LEU HD11 H 1 0.182 0.005 . 2 . . 1209 . . 74 LEU HD11 . 17701 1 911 . 1 1 74 74 LEU HD12 H 1 0.182 0.005 . 2 . . 1209 . . 74 LEU HD12 . 17701 1 912 . 1 1 74 74 LEU HD13 H 1 0.182 0.005 . 2 . . 1209 . . 74 LEU HD13 . 17701 1 913 . 1 1 74 74 LEU HD21 H 1 0.824 0.004 . 2 . . 1210 . . 74 LEU HD21 . 17701 1 914 . 1 1 74 74 LEU HD22 H 1 0.824 0.004 . 2 . . 1210 . . 74 LEU HD22 . 17701 1 915 . 1 1 74 74 LEU HD23 H 1 0.824 0.004 . 2 . . 1210 . . 74 LEU HD23 . 17701 1 916 . 1 1 74 74 LEU C C 13 176.892 0.05 . 1 . . 523 . . 74 LEU C . 17701 1 917 . 1 1 74 74 LEU CA C 13 53.928 0.069 . 1 . . 527 . . 74 LEU CA . 17701 1 918 . 1 1 74 74 LEU CB C 13 44.166 0.008 . 1 . . 532 . . 74 LEU CB . 17701 1 919 . 1 1 74 74 LEU CG C 13 27.716 0.008 . 1 . . 1214 . . 74 LEU CG . 17701 1 920 . 1 1 74 74 LEU CD1 C 13 22.139 0.03 . 2 . . 1859 . . 74 LEU CD1 . 17701 1 921 . 1 1 74 74 LEU CD2 C 13 25.564 0.022 . 2 . . 1211 . . 74 LEU CD2 . 17701 1 922 . 1 1 74 74 LEU N N 15 123.317 0.044 . 1 . . 525 . . 74 LEU N . 17701 1 923 . 1 1 75 75 ASN H H 1 9.062 0.003 . 1 . . 521 . . 75 ASN H . 17701 1 924 . 1 1 75 75 ASN HA H 1 4.370 0.006 . 1 . . 1475 . . 75 ASN HA . 17701 1 925 . 1 1 75 75 ASN HB2 H 1 2.934 0.003 . 2 . . 1476 . . 75 ASN HB2 . 17701 1 926 . 1 1 75 75 ASN HB3 H 1 2.789 0.003 . 2 . . 1477 . . 75 ASN HB3 . 17701 1 927 . 1 1 75 75 ASN HD21 H 1 7.615 0.003 . 1 . . 888 . . 75 ASN HD21 . 17701 1 928 . 1 1 75 75 ASN HD22 H 1 6.919 0.002 . 1 . . 1478 . . 75 ASN HD22 . 17701 1 929 . 1 1 75 75 ASN C C 13 174.549 0.05 . 1 . . 669 . . 75 ASN C . 17701 1 930 . 1 1 75 75 ASN CA C 13 55.316 0.02 . 1 . . 528 . . 75 ASN CA . 17701 1 931 . 1 1 75 75 ASN CB C 13 37.281 0.007 . 1 . . 531 . . 75 ASN CB . 17701 1 932 . 1 1 75 75 ASN N N 15 125.200 0.012 . 1 . . 522 . . 75 ASN N . 17701 1 933 . 1 1 75 75 ASN ND2 N 15 113.433 0.015 . 1 . . 889 . . 75 ASN ND2 . 17701 1 934 . 1 1 76 76 ASN H H 1 9.181 0.026 . 1 . . 667 . . 76 ASN H . 17701 1 935 . 1 1 76 76 ASN HA H 1 4.345 0.003 . 1 . . 1482 . . 76 ASN HA . 17701 1 936 . 1 1 76 76 ASN HB2 H 1 2.981 0.005 . 2 . . 1481 . . 76 ASN HB2 . 17701 1 937 . 1 1 76 76 ASN HB3 H 1 3.039 0.006 . 2 . . 1479 . . 76 ASN HB3 . 17701 1 938 . 1 1 76 76 ASN HD21 H 1 7.559 0.002 . 1 . . 886 . . 76 ASN HD21 . 17701 1 939 . 1 1 76 76 ASN HD22 H 1 6.906 0.002 . 1 . . 1483 . . 76 ASN HD22 . 17701 1 940 . 1 1 76 76 ASN C C 13 173.866 0.05 . 1 . . 518 . . 76 ASN C . 17701 1 941 . 1 1 76 76 ASN CA C 13 54.678 0.015 . 1 . . 670 . . 76 ASN CA . 17701 1 942 . 1 1 76 76 ASN CB C 13 37.806 0.009 . 1 . . 1480 . . 76 ASN CB . 17701 1 943 . 1 1 76 76 ASN N N 15 111.128 0.142 . 1 . . 668 . . 76 ASN N . 17701 1 944 . 1 1 76 76 ASN ND2 N 15 113.587 0.006 . 1 . . 887 . . 76 ASN ND2 . 17701 1 945 . 1 1 77 77 ARG H H 1 7.830 0.005 . 1 . . 516 . . 77 ARG H . 17701 1 946 . 1 1 77 77 ARG HA H 1 4.650 0.006 . 1 . . 1679 . . 77 ARG HA . 17701 1 947 . 1 1 77 77 ARG HB2 H 1 1.872 0.001 . 2 . . 1681 . . 77 ARG HB2 . 17701 1 948 . 1 1 77 77 ARG HB3 H 1 1.796 0.002 . 2 . . 1680 . . 77 ARG HB3 . 17701 1 949 . 1 1 77 77 ARG HG2 H 1 1.652 0.003 . 2 . . 1682 . . 77 ARG HG2 . 17701 1 950 . 1 1 77 77 ARG HG3 H 1 1.554 0.003 . 2 . . 1684 . . 77 ARG HG3 . 17701 1 951 . 1 1 77 77 ARG HD2 H 1 3.225 0.001 . 2 . . 1685 . . 77 ARG HD2 . 17701 1 952 . 1 1 77 77 ARG HD3 H 1 3.206 0.001 . 2 . . 1687 . . 77 ARG HD3 . 17701 1 953 . 1 1 77 77 ARG C C 13 175.721 0.05 . 1 . . 513 . . 77 ARG C . 17701 1 954 . 1 1 77 77 ARG CA C 13 54.725 0.006 . 1 . . 519 . . 77 ARG CA . 17701 1 955 . 1 1 77 77 ARG CB C 13 32.078 0.014 . 1 . . 520 . . 77 ARG CB . 17701 1 956 . 1 1 77 77 ARG CG C 13 27.102 0.001 . 1 . . 1683 . . 77 ARG CG . 17701 1 957 . 1 1 77 77 ARG CD C 13 43.525 0.003 . 1 . . 1686 . . 77 ARG CD . 17701 1 958 . 1 1 77 77 ARG N N 15 120.285 0.036 . 1 . . 517 . . 77 ARG N . 17701 1 959 . 1 1 78 78 VAL H H 1 8.749 0.004 . 1 . . 66 . . 78 VAL H . 17701 1 960 . 1 1 78 78 VAL HA H 1 3.712 0.009 . 1 . . 1020 . . 78 VAL HA . 17701 1 961 . 1 1 78 78 VAL HB H 1 1.887 0.012 . 1 . . 1022 . . 78 VAL HB . 17701 1 962 . 1 1 78 78 VAL HG11 H 1 0.697 0.003 . 2 . . 1023 . . 78 VAL HG11 . 17701 1 963 . 1 1 78 78 VAL HG12 H 1 0.697 0.003 . 2 . . 1023 . . 78 VAL HG12 . 17701 1 964 . 1 1 78 78 VAL HG13 H 1 0.697 0.003 . 2 . . 1023 . . 78 VAL HG13 . 17701 1 965 . 1 1 78 78 VAL HG21 H 1 0.890 0.008 . 2 . . 1025 . . 78 VAL HG21 . 17701 1 966 . 1 1 78 78 VAL HG22 H 1 0.890 0.008 . 2 . . 1025 . . 78 VAL HG22 . 17701 1 967 . 1 1 78 78 VAL HG23 H 1 0.890 0.008 . 2 . . 1025 . . 78 VAL HG23 . 17701 1 968 . 1 1 78 78 VAL C C 13 176.377 0.05 . 1 . . 510 . . 78 VAL C . 17701 1 969 . 1 1 78 78 VAL CA C 13 65.150 0.008 . 1 . . 514 . . 78 VAL CA . 17701 1 970 . 1 1 78 78 VAL CB C 13 32.007 0.018 . 1 . . 515 . . 78 VAL CB . 17701 1 971 . 1 1 78 78 VAL CG1 C 13 21.280 0.004 . 2 . . 1024 . . 78 VAL CG1 . 17701 1 972 . 1 1 78 78 VAL CG2 C 13 22.134 0.003 . 2 . . 1026 . . 78 VAL CG2 . 17701 1 973 . 1 1 78 78 VAL N N 15 126.524 0.015 . 1 . . 67 . . 78 VAL N . 17701 1 974 . 1 1 79 79 MET H H 1 9.649 0.01 . 1 . . 508 . . 79 MET H . 17701 1 975 . 1 1 79 79 MET HA H 1 4.608 0.012 . 1 . . 1021 . . 79 MET HA . 17701 1 976 . 1 1 79 79 MET HB2 H 1 2.108 0.003 . 2 . . 1320 . . 79 MET HB2 . 17701 1 977 . 1 1 79 79 MET HB3 H 1 1.901 0.005 . 2 . . 1321 . . 79 MET HB3 . 17701 1 978 . 1 1 79 79 MET HG2 H 1 2.499 0.003 . 2 . . 1326 . . 79 MET HG2 . 17701 1 979 . 1 1 79 79 MET HG3 H 1 2.525 0.003 . 2 . . 1324 . . 79 MET HG3 . 17701 1 980 . 1 1 79 79 MET HE1 H 1 2.159 0.003 . 1 . . 1322 . . 79 MET HE1 . 17701 1 981 . 1 1 79 79 MET HE2 H 1 2.159 0.003 . 1 . . 1322 . . 79 MET HE2 . 17701 1 982 . 1 1 79 79 MET HE3 H 1 2.159 0.003 . 1 . . 1322 . . 79 MET HE3 . 17701 1 983 . 1 1 79 79 MET C C 13 176.100 0.05 . 1 . . 505 . . 79 MET C . 17701 1 984 . 1 1 79 79 MET CA C 13 56.557 0.008 . 1 . . 512 . . 79 MET CA . 17701 1 985 . 1 1 79 79 MET CB C 13 34.966 0.02 . 1 . . 511 . . 79 MET CB . 17701 1 986 . 1 1 79 79 MET CG C 13 32.119 0.0 . 1 . . 1325 . . 79 MET CG . 17701 1 987 . 1 1 79 79 MET CE C 13 17.230 0.012 . 1 . . 1323 . . 79 MET CE . 17701 1 988 . 1 1 79 79 MET N N 15 127.420 0.015 . 1 . . 509 . . 79 MET N . 17701 1 989 . 1 1 80 80 LYS H H 1 7.722 0.006 . 1 . . 503 . . 80 LYS H . 17701 1 990 . 1 1 80 80 LYS HA H 1 4.367 0.006 . 1 . . 1525 . . 80 LYS HA . 17701 1 991 . 1 1 80 80 LYS HB2 H 1 1.525 0.004 . 2 . . 1526 . . 80 LYS HB2 . 17701 1 992 . 1 1 80 80 LYS HB3 H 1 1.185 0.005 . 2 . . 1527 . . 80 LYS HB3 . 17701 1 993 . 1 1 80 80 LYS HG2 H 1 1.115 0.004 . 2 . . 1531 . . 80 LYS HG2 . 17701 1 994 . 1 1 80 80 LYS HG3 H 1 0.772 0.004 . 2 . . 1533 . . 80 LYS HG3 . 17701 1 995 . 1 1 80 80 LYS HD2 H 1 1.465 0.003 . 2 . . 1534 . . 80 LYS HD2 . 17701 1 996 . 1 1 80 80 LYS HD3 H 1 1.609 0.003 . 2 . . 1536 . . 80 LYS HD3 . 17701 1 997 . 1 1 80 80 LYS HE2 H 1 2.716 0.002 . 2 . . 1528 . . 80 LYS HE2 . 17701 1 998 . 1 1 80 80 LYS HE3 H 1 2.610 0.003 . 2 . . 1530 . . 80 LYS HE3 . 17701 1 999 . 1 1 80 80 LYS C C 13 173.573 0.05 . 1 . . 498 . . 80 LYS C . 17701 1 1000 . 1 1 80 80 LYS CA C 13 55.630 0.01 . 1 . . 506 . . 80 LYS CA . 17701 1 1001 . 1 1 80 80 LYS CB C 13 37.354 0.01 . 1 . . 507 . . 80 LYS CB . 17701 1 1002 . 1 1 80 80 LYS CG C 13 24.790 0.024 . 1 . . 1532 . . 80 LYS CG . 17701 1 1003 . 1 1 80 80 LYS CD C 13 28.988 0.006 . 1 . . 1535 . . 80 LYS CD . 17701 1 1004 . 1 1 80 80 LYS CE C 13 42.264 0.001 . 1 . . 1529 . . 80 LYS CE . 17701 1 1005 . 1 1 80 80 LYS N N 15 117.315 0.007 . 1 . . 504 . . 80 LYS N . 17701 1 1006 . 1 1 81 81 THR H H 1 8.003 0.003 . 1 . . 192 . . 81 THR H . 17701 1 1007 . 1 1 81 81 THR HA H 1 4.907 0.008 . 1 . . 967 . . 81 THR HA . 17701 1 1008 . 1 1 81 81 THR HB H 1 3.740 0.012 . 1 . . 966 . . 81 THR HB . 17701 1 1009 . 1 1 81 81 THR HG21 H 1 1.106 0.007 . 1 . . 945 . . 81 THR HG21 . 17701 1 1010 . 1 1 81 81 THR HG22 H 1 1.106 0.007 . 1 . . 945 . . 81 THR HG22 . 17701 1 1011 . 1 1 81 81 THR HG23 H 1 1.106 0.007 . 1 . . 945 . . 81 THR HG23 . 17701 1 1012 . 1 1 81 81 THR C C 13 172.851 0.05 . 1 . . 497 . . 81 THR C . 17701 1 1013 . 1 1 81 81 THR CA C 13 61.782 0.019 . 1 . . 499 . . 81 THR CA . 17701 1 1014 . 1 1 81 81 THR CB C 13 70.353 0.032 . 1 . . 500 . . 81 THR CB . 17701 1 1015 . 1 1 81 81 THR CG2 C 13 21.343 0.007 . 1 . . 946 . . 81 THR CG2 . 17701 1 1016 . 1 1 81 81 THR N N 15 118.003 0.031 . 1 . . 193 . . 81 THR N . 17701 1 1017 . 1 1 82 82 TYR H H 1 9.631 0.003 . 1 . . 211 . . 82 TYR H . 17701 1 1018 . 1 1 82 82 TYR HA H 1 5.052 0.004 . 1 . . 1648 . . 82 TYR HA . 17701 1 1019 . 1 1 82 82 TYR HB2 H 1 2.569 0.004 . 2 . . 1649 . . 82 TYR HB2 . 17701 1 1020 . 1 1 82 82 TYR HB3 H 1 3.023 0.004 . 2 . . 1650 . . 82 TYR HB3 . 17701 1 1021 . 1 1 82 82 TYR HD1 H 1 7.040 0.002 . 3 . . 1808 . . 82 TYR HD1 . 17701 1 1022 . 1 1 82 82 TYR HD2 H 1 7.040 0.002 . 3 . . 1808 . . 82 TYR HD2 . 17701 1 1023 . 1 1 82 82 TYR HE1 H 1 6.521 0.001 . 3 . . 1957 . . 82 TYR HE1 . 17701 1 1024 . 1 1 82 82 TYR HE2 H 1 6.521 0.001 . 3 . . 1957 . . 82 TYR HE2 . 17701 1 1025 . 1 1 82 82 TYR C C 13 173.060 0.05 . 1 . . 1894 . . 82 TYR C . 17701 1 1026 . 1 1 82 82 TYR CA C 13 54.466 0.005 . 1 . . 501 . . 82 TYR CA . 17701 1 1027 . 1 1 82 82 TYR CB C 13 40.922 0.04 . 1 . . 502 . . 82 TYR CB . 17701 1 1028 . 1 1 82 82 TYR CD1 C 13 133.629 0.096 . 3 . . 1819 . . 82 TYR CD1 . 17701 1 1029 . 1 1 82 82 TYR CD2 C 13 133.629 0.096 . 3 . . 1819 . . 82 TYR CD2 . 17701 1 1030 . 1 1 82 82 TYR CE1 C 13 117.117 0.042 . 3 . . 1958 . . 82 TYR CE1 . 17701 1 1031 . 1 1 82 82 TYR CE2 C 13 117.117 0.042 . 3 . . 1958 . . 82 TYR CE2 . 17701 1 1032 . 1 1 82 82 TYR N N 15 125.305 0.028 . 1 . . 212 . . 82 TYR N . 17701 1 1033 . 1 1 83 83 PRO HA H 1 5.036 0.007 . 1 . . 1392 . . 83 PRO HA . 17701 1 1034 . 1 1 83 83 PRO HB2 H 1 2.320 0.005 . 2 . . 1399 . . 83 PRO HB2 . 17701 1 1035 . 1 1 83 83 PRO HB3 H 1 1.920 0.002 . 2 . . 1400 . . 83 PRO HB3 . 17701 1 1036 . 1 1 83 83 PRO HG2 H 1 2.371 0.003 . 2 . . 1396 . . 83 PRO HG2 . 17701 1 1037 . 1 1 83 83 PRO HG3 H 1 2.342 0.002 . 2 . . 1398 . . 83 PRO HG3 . 17701 1 1038 . 1 1 83 83 PRO HD2 H 1 3.943 0.003 . 2 . . 1395 . . 83 PRO HD2 . 17701 1 1039 . 1 1 83 83 PRO HD3 H 1 4.050 0.002 . 2 . . 1393 . . 83 PRO HD3 . 17701 1 1040 . 1 1 83 83 PRO C C 13 175.079 0.05 . 1 . . 494 . . 83 PRO C . 17701 1 1041 . 1 1 83 83 PRO CA C 13 62.202 0.004 . 1 . . 495 . . 83 PRO CA . 17701 1 1042 . 1 1 83 83 PRO CB C 13 32.417 0.01 . 1 . . 496 . . 83 PRO CB . 17701 1 1043 . 1 1 83 83 PRO CG C 13 26.821 0.0 . 1 . . 1397 . . 83 PRO CG . 17701 1 1044 . 1 1 83 83 PRO CD C 13 50.114 0.008 . 1 . . 1394 . . 83 PRO CD . 17701 1 1045 . 1 1 84 84 ILE H H 1 7.353 0.003 . 1 . . 93 . . 84 ILE H . 17701 1 1046 . 1 1 84 84 ILE HA H 1 5.385 0.005 . 1 . . 1119 . . 84 ILE HA . 17701 1 1047 . 1 1 84 84 ILE HB H 1 2.005 0.004 . 1 . . 1118 . . 84 ILE HB . 17701 1 1048 . 1 1 84 84 ILE HG13 H 1 1.615 0.005 . 1 . . 1122 . . 84 ILE HG13 . 17701 1 1049 . 1 1 84 84 ILE HG21 H 1 0.687 0.005 . 1 . . 1116 . . 84 ILE HG21 . 17701 1 1050 . 1 1 84 84 ILE HG22 H 1 0.687 0.005 . 1 . . 1116 . . 84 ILE HG22 . 17701 1 1051 . 1 1 84 84 ILE HG23 H 1 0.687 0.005 . 1 . . 1116 . . 84 ILE HG23 . 17701 1 1052 . 1 1 84 84 ILE HD11 H 1 0.491 0.003 . 1 . . 1120 . . 84 ILE HD11 . 17701 1 1053 . 1 1 84 84 ILE HD12 H 1 0.491 0.003 . 1 . . 1120 . . 84 ILE HD12 . 17701 1 1054 . 1 1 84 84 ILE HD13 H 1 0.491 0.003 . 1 . . 1120 . . 84 ILE HD13 . 17701 1 1055 . 1 1 84 84 ILE C C 13 177.606 0.05 . 1 . . 489 . . 84 ILE C . 17701 1 1056 . 1 1 84 84 ILE CA C 13 59.248 0.013 . 1 . . 493 . . 84 ILE CA . 17701 1 1057 . 1 1 84 84 ILE CB C 13 42.006 0.013 . 1 . . 492 . . 84 ILE CB . 17701 1 1058 . 1 1 84 84 ILE CG2 C 13 20.208 0.01 . 1 . . 1117 . . 84 ILE CG2 . 17701 1 1059 . 1 1 84 84 ILE CD1 C 13 15.940 0.01 . 1 . . 1121 . . 84 ILE CD1 . 17701 1 1060 . 1 1 84 84 ILE N N 15 109.255 0.014 . 1 . . 94 . . 84 ILE N . 17701 1 1061 . 1 1 85 85 ALA H H 1 9.310 0.004 . 1 . . 488 . . 85 ALA H . 17701 1 1062 . 1 1 85 85 ALA HA H 1 5.247 0.01 . 1 . . 914 . . 85 ALA HA . 17701 1 1063 . 1 1 85 85 ALA HB1 H 1 1.605 0.004 . 1 . . 915 . . 85 ALA HB1 . 17701 1 1064 . 1 1 85 85 ALA HB2 H 1 1.605 0.004 . 1 . . 915 . . 85 ALA HB2 . 17701 1 1065 . 1 1 85 85 ALA HB3 H 1 1.605 0.004 . 1 . . 915 . . 85 ALA HB3 . 17701 1 1066 . 1 1 85 85 ALA C C 13 176.571 0.05 . 1 . . 485 . . 85 ALA C . 17701 1 1067 . 1 1 85 85 ALA CA C 13 50.378 0.008 . 1 . . 490 . . 85 ALA CA . 17701 1 1068 . 1 1 85 85 ALA CB C 13 23.633 0.013 . 1 . . 491 . . 85 ALA CB . 17701 1 1069 . 1 1 85 85 ALA N N 15 120.473 0.02 . 1 . . 81 . . 85 ALA N . 17701 1 1070 . 1 1 86 86 VAL H H 1 7.799 0.004 . 1 . . 483 . . 86 VAL H . 17701 1 1071 . 1 1 86 86 VAL HA H 1 4.554 0.008 . 1 . . 1014 . . 86 VAL HA . 17701 1 1072 . 1 1 86 86 VAL HB H 1 1.903 0.004 . 1 . . 1015 . . 86 VAL HB . 17701 1 1073 . 1 1 86 86 VAL HG11 H 1 0.908 0.003 . 2 . . 1016 . . 86 VAL HG11 . 17701 1 1074 . 1 1 86 86 VAL HG12 H 1 0.908 0.003 . 2 . . 1016 . . 86 VAL HG12 . 17701 1 1075 . 1 1 86 86 VAL HG13 H 1 0.908 0.003 . 2 . . 1016 . . 86 VAL HG13 . 17701 1 1076 . 1 1 86 86 VAL HG21 H 1 0.847 0.003 . 2 . . 1018 . . 86 VAL HG21 . 17701 1 1077 . 1 1 86 86 VAL HG22 H 1 0.847 0.003 . 2 . . 1018 . . 86 VAL HG22 . 17701 1 1078 . 1 1 86 86 VAL HG23 H 1 0.847 0.003 . 2 . . 1018 . . 86 VAL HG23 . 17701 1 1079 . 1 1 86 86 VAL C C 13 175.743 0.05 . 1 . . 482 . . 86 VAL C . 17701 1 1080 . 1 1 86 86 VAL CA C 13 59.440 0.017 . 1 . . 486 . . 86 VAL CA . 17701 1 1081 . 1 1 86 86 VAL CB C 13 34.511 0.013 . 1 . . 487 . . 86 VAL CB . 17701 1 1082 . 1 1 86 86 VAL CG1 C 13 20.280 0.012 . 2 . . 1017 . . 86 VAL CG1 . 17701 1 1083 . 1 1 86 86 VAL CG2 C 13 22.865 0.012 . 2 . . 1019 . . 86 VAL CG2 . 17701 1 1084 . 1 1 86 86 VAL N N 15 113.463 0.047 . 1 . . 484 . . 86 VAL N . 17701 1 1085 . 1 1 87 87 GLY H H 1 8.494 0.004 . 1 . . 480 . . 87 GLY H . 17701 1 1086 . 1 1 87 87 GLY HA2 H 1 3.489 0.007 . 2 . . 1300 . . 87 GLY HA2 . 17701 1 1087 . 1 1 87 87 GLY HA3 H 1 4.194 0.003 . 2 . . 1301 . . 87 GLY HA3 . 17701 1 1088 . 1 1 87 87 GLY C C 13 174.983 0.05 . 1 . . 478 . . 87 GLY C . 17701 1 1089 . 1 1 87 87 GLY CA C 13 44.535 0.022 . 1 . . 479 . . 87 GLY CA . 17701 1 1090 . 1 1 87 87 GLY N N 15 114.445 0.021 . 1 . . 481 . . 87 GLY N . 17701 1 1091 . 1 1 88 88 LYS H H 1 7.529 0.003 . 1 . . 476 . . 88 LYS H . 17701 1 1092 . 1 1 88 88 LYS HA H 1 4.180 0.005 . 1 . . 1519 . . 88 LYS HA . 17701 1 1093 . 1 1 88 88 LYS HB2 H 1 2.004 0.003 . 2 . . 1520 . . 88 LYS HB2 . 17701 1 1094 . 1 1 88 88 LYS HB3 H 1 1.904 0.003 . 2 . . 1521 . . 88 LYS HB3 . 17701 1 1095 . 1 1 88 88 LYS HG2 H 1 1.492 0.003 . 2 . . 1522 . . 88 LYS HG2 . 17701 1 1096 . 1 1 88 88 LYS HG3 H 1 1.565 0.004 . 2 . . 1524 . . 88 LYS HG3 . 17701 1 1097 . 1 1 88 88 LYS C C 13 178.869 0.05 . 1 . . 471 . . 88 LYS C . 17701 1 1098 . 1 1 88 88 LYS CA C 13 59.204 0.001 . 1 . . 475 . . 88 LYS CA . 17701 1 1099 . 1 1 88 88 LYS CB C 13 33.086 0.014 . 1 . . 473 . . 88 LYS CB . 17701 1 1100 . 1 1 88 88 LYS CG C 13 24.706 0.0 . 1 . . 1523 . . 88 LYS CG . 17701 1 1101 . 1 1 88 88 LYS N N 15 123.208 0.011 . 1 . . 477 . . 88 LYS N . 17701 1 1102 . 1 1 89 89 ILE H H 1 8.803 0.003 . 1 . . 469 . . 89 ILE H . 17701 1 1103 . 1 1 89 89 ILE HA H 1 4.098 0.003 . 1 . . 1109 . . 89 ILE HA . 17701 1 1104 . 1 1 89 89 ILE HB H 1 1.945 0.003 . 1 . . 1110 . . 89 ILE HB . 17701 1 1105 . 1 1 89 89 ILE HG12 H 1 1.210 0.004 . 2 . . 1113 . . 89 ILE HG12 . 17701 1 1106 . 1 1 89 89 ILE HG13 H 1 1.495 0.004 . 2 . . 1115 . . 89 ILE HG13 . 17701 1 1107 . 1 1 89 89 ILE HG21 H 1 0.757 0.004 . 1 . . 1111 . . 89 ILE HG21 . 17701 1 1108 . 1 1 89 89 ILE HG22 H 1 0.757 0.004 . 1 . . 1111 . . 89 ILE HG22 . 17701 1 1109 . 1 1 89 89 ILE HG23 H 1 0.757 0.004 . 1 . . 1111 . . 89 ILE HG23 . 17701 1 1110 . 1 1 89 89 ILE HD11 H 1 0.802 0.005 . 1 . . 1171 . . 89 ILE HD11 . 17701 1 1111 . 1 1 89 89 ILE HD12 H 1 0.802 0.005 . 1 . . 1171 . . 89 ILE HD12 . 17701 1 1112 . 1 1 89 89 ILE HD13 H 1 0.802 0.005 . 1 . . 1171 . . 89 ILE HD13 . 17701 1 1113 . 1 1 89 89 ILE C C 13 176.331 0.05 . 1 . . 468 . . 89 ILE C . 17701 1 1114 . 1 1 89 89 ILE CA C 13 64.012 0.055 . 1 . . 474 . . 89 ILE CA . 17701 1 1115 . 1 1 89 89 ILE CB C 13 37.797 0.011 . 1 . . 472 . . 89 ILE CB . 17701 1 1116 . 1 1 89 89 ILE CG1 C 13 28.584 0.008 . 1 . . 1114 . . 89 ILE CG1 . 17701 1 1117 . 1 1 89 89 ILE CG2 C 13 17.300 0.02 . 1 . . 1112 . . 89 ILE CG2 . 17701 1 1118 . 1 1 89 89 ILE CD1 C 13 14.606 0.019 . 1 . . 1172 . . 89 ILE CD1 . 17701 1 1119 . 1 1 89 89 ILE N N 15 119.638 0.018 . 1 . . 470 . . 89 ILE N . 17701 1 1120 . 1 1 90 90 LEU H H 1 7.483 0.002 . 1 . . 466 . . 90 LEU H . 17701 1 1121 . 1 1 90 90 LEU HA H 1 4.264 0.003 . 1 . . 1208 . . 90 LEU HA . 17701 1 1122 . 1 1 90 90 LEU HB2 H 1 1.663 0.003 . 2 . . 1206 . . 90 LEU HB2 . 17701 1 1123 . 1 1 90 90 LEU HB3 H 1 1.585 0.004 . 2 . . 1207 . . 90 LEU HB3 . 17701 1 1124 . 1 1 90 90 LEU HG H 1 1.492 0.002 . 1 . . 1276 . . 90 LEU HG . 17701 1 1125 . 1 1 90 90 LEU HD11 H 1 0.606 0.004 . 2 . . 1278 . . 90 LEU HD11 . 17701 1 1126 . 1 1 90 90 LEU HD12 H 1 0.606 0.004 . 2 . . 1278 . . 90 LEU HD12 . 17701 1 1127 . 1 1 90 90 LEU HD13 H 1 0.606 0.004 . 2 . . 1278 . . 90 LEU HD13 . 17701 1 1128 . 1 1 90 90 LEU HD21 H 1 0.776 0.004 . 2 . . 1279 . . 90 LEU HD21 . 17701 1 1129 . 1 1 90 90 LEU HD22 H 1 0.776 0.004 . 2 . . 1279 . . 90 LEU HD22 . 17701 1 1130 . 1 1 90 90 LEU HD23 H 1 0.776 0.004 . 2 . . 1279 . . 90 LEU HD23 . 17701 1 1131 . 1 1 90 90 LEU C C 13 178.134 0.05 . 1 . . 460 . . 90 LEU C . 17701 1 1132 . 1 1 90 90 LEU CA C 13 55.974 0.022 . 1 . . 464 . . 90 LEU CA . 17701 1 1133 . 1 1 90 90 LEU CB C 13 42.063 0.009 . 1 . . 465 . . 90 LEU CB . 17701 1 1134 . 1 1 90 90 LEU CG C 13 27.303 0.002 . 1 . . 1277 . . 90 LEU CG . 17701 1 1135 . 1 1 90 90 LEU CD1 C 13 24.406 0.003 . 2 . . 1281 . . 90 LEU CD1 . 17701 1 1136 . 1 1 90 90 LEU CD2 C 13 25.586 0.009 . 2 . . 1280 . . 90 LEU CD2 . 17701 1 1137 . 1 1 90 90 LEU N N 15 119.840 0.019 . 1 . . 467 . . 90 LEU N . 17701 1 1138 . 1 1 91 91 THR H H 1 7.881 0.003 . 1 . . 44 . . 91 THR H . 17701 1 1139 . 1 1 91 91 THR HA H 1 3.988 0.004 . 1 . . 964 . . 91 THR HA . 17701 1 1140 . 1 1 91 91 THR HB H 1 4.353 0.002 . 1 . . 963 . . 91 THR HB . 17701 1 1141 . 1 1 91 91 THR HG21 H 1 1.260 0.007 . 1 . . 951 . . 91 THR HG21 . 17701 1 1142 . 1 1 91 91 THR HG22 H 1 1.260 0.007 . 1 . . 951 . . 91 THR HG22 . 17701 1 1143 . 1 1 91 91 THR HG23 H 1 1.260 0.007 . 1 . . 951 . . 91 THR HG23 . 17701 1 1144 . 1 1 91 91 THR C C 13 175.569 0.05 . 1 . . 461 . . 91 THR C . 17701 1 1145 . 1 1 91 91 THR CA C 13 64.601 0.011 . 1 . . 463 . . 91 THR CA . 17701 1 1146 . 1 1 91 91 THR CB C 13 69.141 0.042 . 1 . . 462 . . 91 THR CB . 17701 1 1147 . 1 1 91 91 THR CG2 C 13 22.076 0.004 . 1 . . 952 . . 91 THR CG2 . 17701 1 1148 . 1 1 91 91 THR N N 15 110.302 0.028 . 1 . . 45 . . 91 THR N . 17701 1 1149 . 1 1 92 92 GLN H H 1 7.731 0.004 . 1 . . 454 . . 92 GLN H . 17701 1 1150 . 1 1 92 92 GLN HA H 1 4.413 0.003 . 1 . . 1571 . . 92 GLN HA . 17701 1 1151 . 1 1 92 92 GLN HB2 H 1 2.302 0.004 . 2 . . 1572 . . 92 GLN HB2 . 17701 1 1152 . 1 1 92 92 GLN HB3 H 1 2.144 0.004 . 2 . . 1573 . . 92 GLN HB3 . 17701 1 1153 . 1 1 92 92 GLN HG2 H 1 2.462 0.005 . 2 . . 1574 . . 92 GLN HG2 . 17701 1 1154 . 1 1 92 92 GLN HG3 H 1 2.410 0.003 . 2 . . 1575 . . 92 GLN HG3 . 17701 1 1155 . 1 1 92 92 GLN HE21 H 1 6.915 0.001 . 1 . . 890 . . 92 GLN HE21 . 17701 1 1156 . 1 1 92 92 GLN HE22 H 1 7.505 0.001 . 1 . . 1722 . . 92 GLN HE22 . 17701 1 1157 . 1 1 92 92 GLN C C 13 176.003 0.05 . 1 . . 453 . . 92 GLN C . 17701 1 1158 . 1 1 92 92 GLN CA C 13 56.100 0.015 . 1 . . 457 . . 92 GLN CA . 17701 1 1159 . 1 1 92 92 GLN CB C 13 29.255 0.011 . 1 . . 456 . . 92 GLN CB . 17701 1 1160 . 1 1 92 92 GLN CG C 13 34.167 0.002 . 1 . . 1051 . . 92 GLN CG . 17701 1 1161 . 1 1 92 92 GLN N N 15 118.090 0.014 . 1 . . 455 . . 92 GLN N . 17701 1 1162 . 1 1 92 92 GLN NE2 N 15 111.812 0.029 . 1 . . 891 . . 92 GLN NE2 . 17701 1 1163 . 1 1 93 93 THR H H 1 7.410 0.004 . 1 . . 452 . . 93 THR H . 17701 1 1164 . 1 1 93 93 THR HA H 1 4.726 0.006 . 1 . . 962 . . 93 THR HA . 17701 1 1165 . 1 1 93 93 THR HB H 1 4.326 0.004 . 1 . . 961 . . 93 THR HB . 17701 1 1166 . 1 1 93 93 THR HG21 H 1 1.351 0.004 . 1 . . 937 . . 93 THR HG21 . 17701 1 1167 . 1 1 93 93 THR HG22 H 1 1.351 0.004 . 1 . . 937 . . 93 THR HG22 . 17701 1 1168 . 1 1 93 93 THR HG23 H 1 1.351 0.004 . 1 . . 937 . . 93 THR HG23 . 17701 1 1169 . 1 1 93 93 THR C C 13 172.645 0.05 . 1 . . 1895 . . 93 THR C . 17701 1 1170 . 1 1 93 93 THR CA C 13 59.420 0.027 . 1 . . 458 . . 93 THR CA . 17701 1 1171 . 1 1 93 93 THR CB C 13 70.742 0.021 . 1 . . 459 . . 93 THR CB . 17701 1 1172 . 1 1 93 93 THR CG2 C 13 21.196 0.018 . 1 . . 938 . . 93 THR CG2 . 17701 1 1173 . 1 1 93 93 THR N N 15 114.152 0.04 . 1 . . 100 . . 93 THR N . 17701 1 1174 . 1 1 94 94 PRO HA H 1 4.546 0.008 . 1 . . 1391 . . 94 PRO HA . 17701 1 1175 . 1 1 94 94 PRO HB2 H 1 2.267 0.003 . 2 . . 1731 . . 94 PRO HB2 . 17701 1 1176 . 1 1 94 94 PRO HB3 H 1 2.044 0.002 . 2 . . 1732 . . 94 PRO HB3 . 17701 1 1177 . 1 1 94 94 PRO HD2 H 1 3.781 0.002 . 2 . . 1733 . . 94 PRO HD2 . 17701 1 1178 . 1 1 94 94 PRO HD3 H 1 3.815 0.0 . 2 . . 1735 . . 94 PRO HD3 . 17701 1 1179 . 1 1 94 94 PRO C C 13 175.747 0.05 . 1 . . 449 . . 94 PRO C . 17701 1 1180 . 1 1 94 94 PRO CA C 13 63.335 0.015 . 1 . . 899 . . 94 PRO CA . 17701 1 1181 . 1 1 94 94 PRO CB C 13 32.077 0.009 . 1 . . 900 . . 94 PRO CB . 17701 1 1182 . 1 1 94 94 PRO CD C 13 50.703 0.002 . 1 . . 1734 . . 94 PRO CD . 17701 1 1183 . 1 1 95 95 THR H H 1 7.841 0.01 . 1 . . 149 . . 95 THR H . 17701 1 1184 . 1 1 95 95 THR HA H 1 4.681 0.005 . 1 . . 958 . . 95 THR HA . 17701 1 1185 . 1 1 95 95 THR HB H 1 4.262 0.006 . 1 . . 957 . . 95 THR HB . 17701 1 1186 . 1 1 95 95 THR HG21 H 1 1.216 0.008 . 1 . . 959 . . 95 THR HG21 . 17701 1 1187 . 1 1 95 95 THR HG22 H 1 1.216 0.008 . 1 . . 959 . . 95 THR HG22 . 17701 1 1188 . 1 1 95 95 THR HG23 H 1 1.216 0.008 . 1 . . 959 . . 95 THR HG23 . 17701 1 1189 . 1 1 95 95 THR C C 13 174.525 0.05 . 1 . . 446 . . 95 THR C . 17701 1 1190 . 1 1 95 95 THR CA C 13 61.370 0.007 . 1 . . 451 . . 95 THR CA . 17701 1 1191 . 1 1 95 95 THR CB C 13 70.340 0.027 . 1 . . 450 . . 95 THR CB . 17701 1 1192 . 1 1 95 95 THR CG2 C 13 21.835 0.004 . 1 . . 960 . . 95 THR CG2 . 17701 1 1193 . 1 1 95 95 THR N N 15 112.422 0.041 . 1 . . 448 . . 95 THR N . 17701 1 1194 . 1 1 96 96 GLY H H 1 8.271 0.005 . 1 . . 47 . . 96 GLY H . 17701 1 1195 . 1 1 96 96 GLY HA3 H 1 4.016 0.008 . 1 . . 1299 . . 96 GLY HA3 . 17701 1 1196 . 1 1 96 96 GLY C C 13 170.730 0.05 . 1 . . 445 . . 96 GLY C . 17701 1 1197 . 1 1 96 96 GLY CA C 13 45.422 0.005 . 1 . . 447 . . 96 GLY CA . 17701 1 1198 . 1 1 96 96 GLY N N 15 110.496 0.037 . 1 . . 48 . . 96 GLY N . 17701 1 1199 . 1 1 97 97 GLU H H 1 7.671 0.007 . 1 . . 441 . . 97 GLU H . 17701 1 1200 . 1 1 97 97 GLU HA H 1 4.924 0.003 . 1 . . 1426 . . 97 GLU HA . 17701 1 1201 . 1 1 97 97 GLU HB2 H 1 1.823 0.002 . 2 . . 1430 . . 97 GLU HB2 . 17701 1 1202 . 1 1 97 97 GLU HB3 H 1 1.764 0.004 . 2 . . 1431 . . 97 GLU HB3 . 17701 1 1203 . 1 1 97 97 GLU HG2 H 1 2.095 0.005 . 2 . . 1427 . . 97 GLU HG2 . 17701 1 1204 . 1 1 97 97 GLU HG3 H 1 1.988 0.003 . 2 . . 1429 . . 97 GLU HG3 . 17701 1 1205 . 1 1 97 97 GLU C C 13 174.151 0.05 . 1 . . 436 . . 97 GLU C . 17701 1 1206 . 1 1 97 97 GLU CA C 13 55.281 0.023 . 1 . . 444 . . 97 GLU CA . 17701 1 1207 . 1 1 97 97 GLU CB C 13 32.073 0.02 . 1 . . 443 . . 97 GLU CB . 17701 1 1208 . 1 1 97 97 GLU CG C 13 36.502 0.004 . 1 . . 1428 . . 97 GLU CG . 17701 1 1209 . 1 1 97 97 GLU N N 15 119.750 0.048 . 1 . . 442 . . 97 GLU N . 17701 1 1210 . 1 1 98 98 PHE H H 1 9.024 0.008 . 1 . . 172 . . 98 PHE H . 17701 1 1211 . 1 1 98 98 PHE HA H 1 4.332 0.006 . 1 . . 1633 . . 98 PHE HA . 17701 1 1212 . 1 1 98 98 PHE HB2 H 1 2.388 0.004 . 2 . . 1634 . . 98 PHE HB2 . 17701 1 1213 . 1 1 98 98 PHE HB3 H 1 3.017 0.007 . 2 . . 1635 . . 98 PHE HB3 . 17701 1 1214 . 1 1 98 98 PHE HD1 H 1 6.876 0.003 . 3 . . 1791 . . 98 PHE HD1 . 17701 1 1215 . 1 1 98 98 PHE HD2 H 1 6.876 0.003 . 3 . . 1791 . . 98 PHE HD2 . 17701 1 1216 . 1 1 98 98 PHE C C 13 172.109 0.05 . 1 . . 435 . . 98 PHE C . 17701 1 1217 . 1 1 98 98 PHE CA C 13 55.015 0.015 . 1 . . 438 . . 98 PHE CA . 17701 1 1218 . 1 1 98 98 PHE CB C 13 44.518 0.019 . 1 . . 440 . . 98 PHE CB . 17701 1 1219 . 1 1 98 98 PHE CD1 C 13 130.802 0.003 . 3 . . 1959 . . 98 PHE CD1 . 17701 1 1220 . 1 1 98 98 PHE CD2 C 13 130.802 0.003 . 3 . . 1959 . . 98 PHE CD2 . 17701 1 1221 . 1 1 98 98 PHE N N 15 123.047 0.043 . 1 . . 173 . . 98 PHE N . 17701 1 1222 . 1 1 99 99 TYR H H 1 8.390 0.003 . 1 . . 433 . . 99 TYR H . 17701 1 1223 . 1 1 99 99 TYR HA H 1 5.468 0.007 . 1 . . 1645 . . 99 TYR HA . 17701 1 1224 . 1 1 99 99 TYR HB2 H 1 2.282 0.004 . 2 . . 1646 . . 99 TYR HB2 . 17701 1 1225 . 1 1 99 99 TYR HB3 H 1 2.876 0.005 . 2 . . 1647 . . 99 TYR HB3 . 17701 1 1226 . 1 1 99 99 TYR HD1 H 1 7.087 0.001 . 3 . . 1809 . . 99 TYR HD1 . 17701 1 1227 . 1 1 99 99 TYR HD2 H 1 7.087 0.001 . 3 . . 1809 . . 99 TYR HD2 . 17701 1 1228 . 1 1 99 99 TYR HE1 H 1 6.818 0.003 . 3 . . 1810 . . 99 TYR HE1 . 17701 1 1229 . 1 1 99 99 TYR HE2 H 1 6.818 0.003 . 3 . . 1810 . . 99 TYR HE2 . 17701 1 1230 . 1 1 99 99 TYR C C 13 176.536 0.05 . 1 . . 635 . . 99 TYR C . 17701 1 1231 . 1 1 99 99 TYR CA C 13 55.404 0.012 . 1 . . 437 . . 99 TYR CA . 17701 1 1232 . 1 1 99 99 TYR CB C 13 41.713 0.005 . 1 . . 439 . . 99 TYR CB . 17701 1 1233 . 1 1 99 99 TYR CD1 C 13 133.838 0.092 . 3 . . 1812 . . 99 TYR CD1 . 17701 1 1234 . 1 1 99 99 TYR CD2 C 13 133.838 0.092 . 3 . . 1812 . . 99 TYR CD2 . 17701 1 1235 . 1 1 99 99 TYR CE1 C 13 118.007 0.044 . 3 . . 1811 . . 99 TYR CE1 . 17701 1 1236 . 1 1 99 99 TYR CE2 C 13 118.007 0.044 . 3 . . 1811 . . 99 TYR CE2 . 17701 1 1237 . 1 1 99 99 TYR N N 15 116.230 0.027 . 1 . . 434 . . 99 TYR N . 17701 1 1238 . 1 1 100 100 ILE H H 1 8.382 0.005 . 1 . . 184 . . 100 ILE H . 17701 1 1239 . 1 1 100 100 ILE HA H 1 4.500 0.007 . 1 . . 1100 . . 100 ILE HA . 17701 1 1240 . 1 1 100 100 ILE HB H 1 1.789 0.005 . 1 . . 1101 . . 100 ILE HB . 17701 1 1241 . 1 1 100 100 ILE HG12 H 1 1.574 0.004 . 2 . . 1106 . . 100 ILE HG12 . 17701 1 1242 . 1 1 100 100 ILE HG13 H 1 0.725 0.003 . 2 . . 1108 . . 100 ILE HG13 . 17701 1 1243 . 1 1 100 100 ILE HG21 H 1 0.876 0.004 . 1 . . 1104 . . 100 ILE HG21 . 17701 1 1244 . 1 1 100 100 ILE HG22 H 1 0.876 0.004 . 1 . . 1104 . . 100 ILE HG22 . 17701 1 1245 . 1 1 100 100 ILE HG23 H 1 0.876 0.004 . 1 . . 1104 . . 100 ILE HG23 . 17701 1 1246 . 1 1 100 100 ILE HD11 H 1 0.524 0.003 . 1 . . 1102 . . 100 ILE HD11 . 17701 1 1247 . 1 1 100 100 ILE HD12 H 1 0.524 0.003 . 1 . . 1102 . . 100 ILE HD12 . 17701 1 1248 . 1 1 100 100 ILE HD13 H 1 0.524 0.003 . 1 . . 1102 . . 100 ILE HD13 . 17701 1 1249 . 1 1 100 100 ILE C C 13 177.264 0.05 . 1 . . 628 . . 100 ILE C . 17701 1 1250 . 1 1 100 100 ILE CA C 13 61.682 0.019 . 1 . . 631 . . 100 ILE CA . 17701 1 1251 . 1 1 100 100 ILE CB C 13 38.358 0.023 . 1 . . 633 . . 100 ILE CB . 17701 1 1252 . 1 1 100 100 ILE CG1 C 13 27.917 0.009 . 1 . . 1107 . . 100 ILE CG1 . 17701 1 1253 . 1 1 100 100 ILE CG2 C 13 17.459 0.018 . 1 . . 1105 . . 100 ILE CG2 . 17701 1 1254 . 1 1 100 100 ILE CD1 C 13 13.547 0.015 . 1 . . 1103 . . 100 ILE CD1 . 17701 1 1255 . 1 1 100 100 ILE N N 15 121.279 0.02 . 1 . . 185 . . 100 ILE N . 17701 1 1256 . 1 1 101 101 ILE H H 1 8.630 0.004 . 1 . . 626 . . 101 ILE H . 17701 1 1257 . 1 1 101 101 ILE HA H 1 4.576 0.004 . 1 . . 1093 . . 101 ILE HA . 17701 1 1258 . 1 1 101 101 ILE HB H 1 1.966 0.005 . 1 . . 1094 . . 101 ILE HB . 17701 1 1259 . 1 1 101 101 ILE HG12 H 1 1.172 0.006 . 2 . . 1097 . . 101 ILE HG12 . 17701 1 1260 . 1 1 101 101 ILE HG13 H 1 1.042 0.003 . 2 . . 1099 . . 101 ILE HG13 . 17701 1 1261 . 1 1 101 101 ILE HG21 H 1 0.916 0.002 . 1 . . 1055 . . 101 ILE HG21 . 17701 1 1262 . 1 1 101 101 ILE HG22 H 1 0.916 0.002 . 1 . . 1055 . . 101 ILE HG22 . 17701 1 1263 . 1 1 101 101 ILE HG23 H 1 0.916 0.002 . 1 . . 1055 . . 101 ILE HG23 . 17701 1 1264 . 1 1 101 101 ILE HD11 H 1 0.760 0.002 . 1 . . 1095 . . 101 ILE HD11 . 17701 1 1265 . 1 1 101 101 ILE HD12 H 1 0.760 0.002 . 1 . . 1095 . . 101 ILE HD12 . 17701 1 1266 . 1 1 101 101 ILE HD13 H 1 0.760 0.002 . 1 . . 1095 . . 101 ILE HD13 . 17701 1 1267 . 1 1 101 101 ILE C C 13 174.897 0.05 . 1 . . 376 . . 101 ILE C . 17701 1 1268 . 1 1 101 101 ILE CA C 13 61.014 0.06 . 1 . . 632 . . 101 ILE CA . 17701 1 1269 . 1 1 101 101 ILE CB C 13 39.063 0.049 . 1 . . 634 . . 101 ILE CB . 17701 1 1270 . 1 1 101 101 ILE CG1 C 13 26.555 0.045 . 1 . . 1098 . . 101 ILE CG1 . 17701 1 1271 . 1 1 101 101 ILE CG2 C 13 19.195 0.023 . 1 . . 1056 . . 101 ILE CG2 . 17701 1 1272 . 1 1 101 101 ILE CD1 C 13 13.588 0.018 . 1 . . 1096 . . 101 ILE CD1 . 17701 1 1273 . 1 1 101 101 ILE N N 15 122.953 0.015 . 1 . . 627 . . 101 ILE N . 17701 1 1274 . 1 1 102 102 ASN H H 1 7.595 0.002 . 1 . . 144 . . 102 ASN H . 17701 1 1275 . 1 1 102 102 ASN HA H 1 4.652 0.003 . 1 . . 1466 . . 102 ASN HA . 17701 1 1276 . 1 1 102 102 ASN HB2 H 1 3.150 0.002 . 2 . . 1468 . . 102 ASN HB2 . 17701 1 1277 . 1 1 102 102 ASN HB3 H 1 3.200 0.002 . 2 . . 1467 . . 102 ASN HB3 . 17701 1 1278 . 1 1 102 102 ASN HD21 H 1 8.051 0.003 . 1 . . 883 . . 102 ASN HD21 . 17701 1 1279 . 1 1 102 102 ASN HD22 H 1 6.976 0.004 . 1 . . 885 . . 102 ASN HD22 . 17701 1 1280 . 1 1 102 102 ASN C C 13 173.047 0.05 . 1 . . 428 . . 102 ASN C . 17701 1 1281 . 1 1 102 102 ASN CA C 13 52.546 0.015 . 1 . . 431 . . 102 ASN CA . 17701 1 1282 . 1 1 102 102 ASN CB C 13 39.385 0.003 . 1 . . 430 . . 102 ASN CB . 17701 1 1283 . 1 1 102 102 ASN N N 15 113.811 0.025 . 1 . . 145 . . 102 ASN N . 17701 1 1284 . 1 1 102 102 ASN ND2 N 15 114.122 0.01 . 1 . . 884 . . 102 ASN ND2 . 17701 1 1285 . 1 1 103 103 ARG H H 1 8.566 0.003 . 1 . . 426 . . 103 ARG H . 17701 1 1286 . 1 1 103 103 ARG HA H 1 5.667 0.007 . 1 . . 1673 . . 103 ARG HA . 17701 1 1287 . 1 1 103 103 ARG HB2 H 1 2.098 0.002 . 2 . . 1674 . . 103 ARG HB2 . 17701 1 1288 . 1 1 103 103 ARG HB3 H 1 1.873 0.002 . 2 . . 1675 . . 103 ARG HB3 . 17701 1 1289 . 1 1 103 103 ARG HG2 H 1 1.865 0.004 . 2 . . 1783 . . 103 ARG HG2 . 17701 1 1290 . 1 1 103 103 ARG HG3 H 1 1.820 0.003 . 2 . . 1784 . . 103 ARG HG3 . 17701 1 1291 . 1 1 103 103 ARG HD2 H 1 3.524 0.004 . 2 . . 1676 . . 103 ARG HD2 . 17701 1 1292 . 1 1 103 103 ARG HD3 H 1 2.982 0.004 . 2 . . 1678 . . 103 ARG HD3 . 17701 1 1293 . 1 1 103 103 ARG HE H 1 6.573 0.017 . 1 . . 1779 . . 103 ARG HE . 17701 1 1294 . 1 1 103 103 ARG C C 13 173.997 0.05 . 1 . . 421 . . 103 ARG C . 17701 1 1295 . 1 1 103 103 ARG CA C 13 55.161 0.026 . 1 . . 432 . . 103 ARG CA . 17701 1 1296 . 1 1 103 103 ARG CB C 13 33.182 0.008 . 1 . . 429 . . 103 ARG CB . 17701 1 1297 . 1 1 103 103 ARG CG C 13 24.533 0.007 . 1 . . 1781 . . 103 ARG CG . 17701 1 1298 . 1 1 103 103 ARG CD C 13 43.258 0.005 . 1 . . 1677 . . 103 ARG CD . 17701 1 1299 . 1 1 103 103 ARG N N 15 113.874 0.024 . 1 . . 427 . . 103 ARG N . 17701 1 1300 . 1 1 104 104 GLN H H 1 9.517 0.003 . 1 . . 420 . . 104 GLN H . 17701 1 1301 . 1 1 104 104 GLN HA H 1 4.653 0.004 . 1 . . 1566 . . 104 GLN HA . 17701 1 1302 . 1 1 104 104 GLN HB2 H 1 2.053 0.003 . 2 . . 1567 . . 104 GLN HB2 . 17701 1 1303 . 1 1 104 104 GLN HB3 H 1 2.017 0.003 . 2 . . 1568 . . 104 GLN HB3 . 17701 1 1304 . 1 1 104 104 GLN HG2 H 1 2.237 0.002 . 2 . . 1569 . . 104 GLN HG2 . 17701 1 1305 . 1 1 104 104 GLN HG3 H 1 2.191 0.002 . 2 . . 1570 . . 104 GLN HG3 . 17701 1 1306 . 1 1 104 104 GLN HE21 H 1 6.685 0.002 . 1 . . 830 . . 104 GLN HE21 . 17701 1 1307 . 1 1 104 104 GLN HE22 H 1 7.406 0.001 . 1 . . 828 . . 104 GLN HE22 . 17701 1 1308 . 1 1 104 104 GLN C C 13 173.836 0.05 . 1 . . 419 . . 104 GLN C . 17701 1 1309 . 1 1 104 104 GLN CA C 13 54.663 0.014 . 1 . . 423 . . 104 GLN CA . 17701 1 1310 . 1 1 104 104 GLN CB C 13 31.847 0.07 . 1 . . 425 . . 104 GLN CB . 17701 1 1311 . 1 1 104 104 GLN CG C 13 33.321 0.007 . 1 . . 894 . . 104 GLN CG . 17701 1 1312 . 1 1 104 104 GLN N N 15 120.600 0.024 . 1 . . 80 . . 104 GLN N . 17701 1 1313 . 1 1 104 104 GLN NE2 N 15 111.308 0.207 . 1 . . 829 . . 104 GLN NE2 . 17701 1 1314 . 1 1 105 105 ARG H H 1 8.816 0.003 . 1 . . 68 . . 105 ARG H . 17701 1 1315 . 1 1 105 105 ARG HA H 1 3.179 0.003 . 1 . . 1665 . . 105 ARG HA . 17701 1 1316 . 1 1 105 105 ARG HB2 H 1 1.616 0.002 . 2 . . 1666 . . 105 ARG HB2 . 17701 1 1317 . 1 1 105 105 ARG HB3 H 1 1.454 0.003 . 2 . . 1667 . . 105 ARG HB3 . 17701 1 1318 . 1 1 105 105 ARG HG2 H 1 1.286 0.002 . 2 . . 1670 . . 105 ARG HG2 . 17701 1 1319 . 1 1 105 105 ARG HG3 H 1 1.359 0.002 . 2 . . 1668 . . 105 ARG HG3 . 17701 1 1320 . 1 1 105 105 ARG HD3 H 1 3.122 0.001 . 1 . . 1671 . . 105 ARG HD3 . 17701 1 1321 . 1 1 105 105 ARG C C 13 175.328 0.05 . 1 . . 869 . . 105 ARG C . 17701 1 1322 . 1 1 105 105 ARG CA C 13 56.055 0.004 . 1 . . 422 . . 105 ARG CA . 17701 1 1323 . 1 1 105 105 ARG CB C 13 30.934 0.044 . 1 . . 424 . . 105 ARG CB . 17701 1 1324 . 1 1 105 105 ARG CG C 13 27.918 0.002 . 1 . . 1669 . . 105 ARG CG . 17701 1 1325 . 1 1 105 105 ARG CD C 13 43.453 0.009 . 1 . . 1672 . . 105 ARG CD . 17701 1 1326 . 1 1 105 105 ARG N N 15 127.921 0.013 . 1 . . 69 . . 105 ARG N . 17701 1 1327 . 1 1 106 106 ASN H H 1 7.830 0.003 . 1 . . 867 . . 106 ASN H . 17701 1 1328 . 1 1 106 106 ASN HA H 1 4.331 0.003 . 1 . . 1465 . . 106 ASN HA . 17701 1 1329 . 1 1 106 106 ASN HB2 H 1 2.510 0.004 . 2 . . 1463 . . 106 ASN HB2 . 17701 1 1330 . 1 1 106 106 ASN HB3 H 1 2.942 0.003 . 2 . . 1464 . . 106 ASN HB3 . 17701 1 1331 . 1 1 106 106 ASN HD21 H 1 7.558 0.003 . 1 . . 880 . . 106 ASN HD21 . 17701 1 1332 . 1 1 106 106 ASN HD22 H 1 6.758 0.003 . 1 . . 882 . . 106 ASN HD22 . 17701 1 1333 . 1 1 106 106 ASN C C 13 171.490 0.05 . 1 . . 1727 . . 106 ASN C . 17701 1 1334 . 1 1 106 106 ASN CA C 13 53.872 0.01 . 1 . . 871 . . 106 ASN CA . 17701 1 1335 . 1 1 106 106 ASN CB C 13 38.144 0.023 . 1 . . 870 . . 106 ASN CB . 17701 1 1336 . 1 1 106 106 ASN N N 15 120.342 0.038 . 1 . . 868 . . 106 ASN N . 17701 1 1337 . 1 1 106 106 ASN ND2 N 15 112.136 0.008 . 1 . . 881 . . 106 ASN ND2 . 17701 1 1338 . 1 1 107 107 PRO HA H 1 4.232 0.005 . 1 . . 1382 . . 107 PRO HA . 17701 1 1339 . 1 1 107 107 PRO HB2 H 1 1.893 0.003 . 2 . . 1387 . . 107 PRO HB2 . 17701 1 1340 . 1 1 107 107 PRO HB3 H 1 1.956 0.004 . 2 . . 1386 . . 107 PRO HB3 . 17701 1 1341 . 1 1 107 107 PRO HG2 H 1 1.912 0.002 . 2 . . 1383 . . 107 PRO HG2 . 17701 1 1342 . 1 1 107 107 PRO HG3 H 1 1.836 0.004 . 2 . . 1385 . . 107 PRO HG3 . 17701 1 1343 . 1 1 107 107 PRO HD2 H 1 3.627 0.002 . 2 . . 1388 . . 107 PRO HD2 . 17701 1 1344 . 1 1 107 107 PRO HD3 H 1 3.309 0.004 . 2 . . 1390 . . 107 PRO HD3 . 17701 1 1345 . 1 1 107 107 PRO C C 13 177.695 0.05 . 1 . . 414 . . 107 PRO C . 17701 1 1346 . 1 1 107 107 PRO CA C 13 64.304 0.003 . 1 . . 417 . . 107 PRO CA . 17701 1 1347 . 1 1 107 107 PRO CB C 13 30.794 0.06 . 1 . . 418 . . 107 PRO CB . 17701 1 1348 . 1 1 107 107 PRO CG C 13 28.109 0.002 . 1 . . 1384 . . 107 PRO CG . 17701 1 1349 . 1 1 107 107 PRO CD C 13 49.862 0.006 . 1 . . 1389 . . 107 PRO CD . 17701 1 1350 . 1 1 108 108 GLY H H 1 7.998 0.004 . 1 . . 413 . . 108 GLY H . 17701 1 1351 . 1 1 108 108 GLY HA2 H 1 4.069 0.007 . 2 . . 1295 . . 108 GLY HA2 . 17701 1 1352 . 1 1 108 108 GLY HA3 H 1 3.629 0.006 . 2 . . 1296 . . 108 GLY HA3 . 17701 1 1353 . 1 1 108 108 GLY C C 13 174.035 0.05 . 1 . . 412 . . 108 GLY C . 17701 1 1354 . 1 1 108 108 GLY CA C 13 44.025 0.013 . 1 . . 416 . . 108 GLY CA . 17701 1 1355 . 1 1 108 108 GLY N N 15 105.590 0.026 . 1 . . 38 . . 108 GLY N . 17701 1 1356 . 1 1 109 109 GLY H H 1 8.487 0.004 . 1 . . 31 . . 109 GLY H . 17701 1 1357 . 1 1 109 109 GLY HA2 H 1 3.624 0.002 . 2 . . 1297 . . 109 GLY HA2 . 17701 1 1358 . 1 1 109 109 GLY HA3 H 1 4.062 0.001 . 2 . . 1298 . . 109 GLY HA3 . 17701 1 1359 . 1 1 109 109 GLY C C 13 174.249 0.05 . 1 . . 1896 . . 109 GLY C . 17701 1 1360 . 1 1 109 109 GLY CA C 13 44.815 0.045 . 1 . . 415 . . 109 GLY CA . 17701 1 1361 . 1 1 109 109 GLY N N 15 108.287 0.009 . 1 . . 32 . . 109 GLY N . 17701 1 1362 . 1 1 110 110 PRO HA H 1 4.232 0.003 . 1 . . 1373 . . 110 PRO HA . 17701 1 1363 . 1 1 110 110 PRO HB2 H 1 1.272 0.004 . 2 . . 1380 . . 110 PRO HB2 . 17701 1 1364 . 1 1 110 110 PRO HB3 H 1 1.947 0.003 . 2 . . 1381 . . 110 PRO HB3 . 17701 1 1365 . 1 1 110 110 PRO HG2 H 1 0.774 0.005 . 2 . . 1379 . . 110 PRO HG2 . 17701 1 1366 . 1 1 110 110 PRO HG3 H 1 1.578 0.002 . 2 . . 1377 . . 110 PRO HG3 . 17701 1 1367 . 1 1 110 110 PRO HD2 H 1 3.336 0.004 . 2 . . 1376 . . 110 PRO HD2 . 17701 1 1368 . 1 1 110 110 PRO HD3 H 1 3.412 0.002 . 2 . . 1374 . . 110 PRO HD3 . 17701 1 1369 . 1 1 110 110 PRO C C 13 175.919 0.05 . 1 . . 407 . . 110 PRO C . 17701 1 1370 . 1 1 110 110 PRO CA C 13 62.941 0.007 . 1 . . 409 . . 110 PRO CA . 17701 1 1371 . 1 1 110 110 PRO CB C 13 31.632 0.008 . 1 . . 411 . . 110 PRO CB . 17701 1 1372 . 1 1 110 110 PRO CG C 13 25.845 0.0 . 1 . . 1378 . . 110 PRO CG . 17701 1 1373 . 1 1 110 110 PRO CD C 13 50.296 0.001 . 1 . . 1375 . . 110 PRO CD . 17701 1 1374 . 1 1 111 111 PHE H H 1 7.108 0.003 . 1 . . 109 . . 111 PHE H . 17701 1 1375 . 1 1 111 111 PHE HA H 1 4.722 0.007 . 1 . . 1632 . . 111 PHE HA . 17701 1 1376 . 1 1 111 111 PHE HB2 H 1 3.499 0.007 . 2 . . 1630 . . 111 PHE HB2 . 17701 1 1377 . 1 1 111 111 PHE HB3 H 1 2.777 0.002 . 2 . . 1631 . . 111 PHE HB3 . 17701 1 1378 . 1 1 111 111 PHE HD1 H 1 6.581 0.003 . 3 . . 1796 . . 111 PHE HD1 . 17701 1 1379 . 1 1 111 111 PHE HD2 H 1 6.581 0.003 . 3 . . 1796 . . 111 PHE HD2 . 17701 1 1380 . 1 1 111 111 PHE HE1 H 1 6.918 0.002 . 3 . . 1798 . . 111 PHE HE1 . 17701 1 1381 . 1 1 111 111 PHE HE2 H 1 6.918 0.002 . 3 . . 1798 . . 111 PHE HE2 . 17701 1 1382 . 1 1 111 111 PHE HZ H 1 7.051 0.001 . 1 . . 1800 . . 111 PHE HZ . 17701 1 1383 . 1 1 111 111 PHE C C 13 175.038 0.05 . 1 . . 405 . . 111 PHE C . 17701 1 1384 . 1 1 111 111 PHE CA C 13 56.099 0.02 . 1 . . 408 . . 111 PHE CA . 17701 1 1385 . 1 1 111 111 PHE CB C 13 39.487 0.019 . 1 . . 410 . . 111 PHE CB . 17701 1 1386 . 1 1 111 111 PHE CD1 C 13 130.266 0.025 . 3 . . 1797 . . 111 PHE CD1 . 17701 1 1387 . 1 1 111 111 PHE CD2 C 13 130.266 0.025 . 3 . . 1797 . . 111 PHE CD2 . 17701 1 1388 . 1 1 111 111 PHE CE1 C 13 131.355 0.09 . 3 . . 1799 . . 111 PHE CE1 . 17701 1 1389 . 1 1 111 111 PHE CE2 C 13 131.355 0.09 . 3 . . 1799 . . 111 PHE CE2 . 17701 1 1390 . 1 1 111 111 PHE CZ C 13 129.653 0.062 . 1 . . 1801 . . 111 PHE CZ . 17701 1 1391 . 1 1 111 111 PHE N N 15 115.916 0.018 . 1 . . 110 . . 111 PHE N . 17701 1 1392 . 1 1 112 112 GLY H H 1 7.147 0.004 . 1 . . 403 . . 112 GLY H . 17701 1 1393 . 1 1 112 112 GLY HA2 H 1 4.078 0.004 . 2 . . 1293 . . 112 GLY HA2 . 17701 1 1394 . 1 1 112 112 GLY HA3 H 1 3.699 0.004 . 2 . . 1294 . . 112 GLY HA3 . 17701 1 1395 . 1 1 112 112 GLY C C 13 175.932 0.05 . 1 . . 400 . . 112 GLY C . 17701 1 1396 . 1 1 112 112 GLY CA C 13 46.882 0.014 . 1 . . 406 . . 112 GLY CA . 17701 1 1397 . 1 1 112 112 GLY N N 15 104.056 0.012 . 1 . . 404 . . 112 GLY N . 17701 1 1398 . 1 1 113 113 ALA H H 1 7.778 0.004 . 1 . . 399 . . 113 ALA H . 17701 1 1399 . 1 1 113 113 ALA HA H 1 4.274 0.005 . 1 . . 912 . . 113 ALA HA . 17701 1 1400 . 1 1 113 113 ALA HB1 H 1 1.502 0.002 . 1 . . 913 . . 113 ALA HB1 . 17701 1 1401 . 1 1 113 113 ALA HB2 H 1 1.502 0.002 . 1 . . 913 . . 113 ALA HB2 . 17701 1 1402 . 1 1 113 113 ALA HB3 H 1 1.502 0.002 . 1 . . 913 . . 113 ALA HB3 . 17701 1 1403 . 1 1 113 113 ALA C C 13 178.813 0.05 . 1 . . 396 . . 113 ALA C . 17701 1 1404 . 1 1 113 113 ALA CA C 13 53.881 0.019 . 1 . . 401 . . 113 ALA CA . 17701 1 1405 . 1 1 113 113 ALA CB C 13 20.791 0.029 . 1 . . 402 . . 113 ALA CB . 17701 1 1406 . 1 1 113 113 ALA N N 15 121.416 0.022 . 1 . . 115 . . 113 ALA N . 17701 1 1407 . 1 1 114 114 TYR H H 1 7.928 0.003 . 1 . . 394 . . 114 TYR H . 17701 1 1408 . 1 1 114 114 TYR HA H 1 4.777 0.002 . 1 . . 1642 . . 114 TYR HA . 17701 1 1409 . 1 1 114 114 TYR HB2 H 1 2.868 0.004 . 2 . . 1643 . . 114 TYR HB2 . 17701 1 1410 . 1 1 114 114 TYR HB3 H 1 2.559 0.005 . 2 . . 1644 . . 114 TYR HB3 . 17701 1 1411 . 1 1 114 114 TYR HD1 H 1 6.852 0.002 . 3 . . 1813 . . 114 TYR HD1 . 17701 1 1412 . 1 1 114 114 TYR HD2 H 1 6.852 0.002 . 3 . . 1813 . . 114 TYR HD2 . 17701 1 1413 . 1 1 114 114 TYR HE1 H 1 6.639 0.004 . 3 . . 1814 . . 114 TYR HE1 . 17701 1 1414 . 1 1 114 114 TYR HE2 H 1 6.639 0.004 . 3 . . 1814 . . 114 TYR HE2 . 17701 1 1415 . 1 1 114 114 TYR C C 13 173.381 0.05 . 1 . . 391 . . 114 TYR C . 17701 1 1416 . 1 1 114 114 TYR CA C 13 59.192 0.035 . 1 . . 398 . . 114 TYR CA . 17701 1 1417 . 1 1 114 114 TYR CB C 13 49.055 0.057 . 1 . . 397 . . 114 TYR CB . 17701 1 1418 . 1 1 114 114 TYR CD1 C 13 132.565 0.07 . 3 . . 1816 . . 114 TYR CD1 . 17701 1 1419 . 1 1 114 114 TYR CD2 C 13 132.565 0.07 . 3 . . 1816 . . 114 TYR CD2 . 17701 1 1420 . 1 1 114 114 TYR CE1 C 13 117.596 0.056 . 3 . . 1815 . . 114 TYR CE1 . 17701 1 1421 . 1 1 114 114 TYR CE2 C 13 117.596 0.056 . 3 . . 1815 . . 114 TYR CE2 . 17701 1 1422 . 1 1 114 114 TYR N N 15 120.374 0.005 . 1 . . 395 . . 114 TYR N . 17701 1 1423 . 1 1 115 115 TRP H H 1 8.585 0.002 . 1 . . 128 . . 115 TRP H . 17701 1 1424 . 1 1 115 115 TRP HA H 1 5.119 0.005 . 1 . . 1612 . . 115 TRP HA . 17701 1 1425 . 1 1 115 115 TRP HB2 H 1 3.098 0.006 . 2 . . 1613 . . 115 TRP HB2 . 17701 1 1426 . 1 1 115 115 TRP HB3 H 1 2.966 0.006 . 2 . . 1614 . . 115 TRP HB3 . 17701 1 1427 . 1 1 115 115 TRP HD1 H 1 7.111 0.002 . 1 . . 1787 . . 115 TRP HD1 . 17701 1 1428 . 1 1 115 115 TRP HE1 H 1 10.244 0.005 . 1 . . 50 . . 115 TRP HE1 . 17701 1 1429 . 1 1 115 115 TRP HE3 H 1 6.597 0.006 . 1 . . 1828 . . 115 TRP HE3 . 17701 1 1430 . 1 1 115 115 TRP HZ2 H 1 7.040 0.002 . 1 . . 1789 . . 115 TRP HZ2 . 17701 1 1431 . 1 1 115 115 TRP HZ3 H 1 6.188 0.011 . 1 . . 1826 . . 115 TRP HZ3 . 17701 1 1432 . 1 1 115 115 TRP HH2 H 1 6.770 0.004 . 1 . . 1824 . . 115 TRP HH2 . 17701 1 1433 . 1 1 115 115 TRP C C 13 174.018 0.05 . 1 . . 388 . . 115 TRP C . 17701 1 1434 . 1 1 115 115 TRP CA C 13 57.624 0.02 . 1 . . 392 . . 115 TRP CA . 17701 1 1435 . 1 1 115 115 TRP CB C 13 31.768 0.06 . 1 . . 393 . . 115 TRP CB . 17701 1 1436 . 1 1 115 115 TRP CD1 C 13 129.081 0.039 . 1 . . 1788 . . 115 TRP CD1 . 17701 1 1437 . 1 1 115 115 TRP CE3 C 13 119.106 0.086 . 1 . . 1829 . . 115 TRP CE3 . 17701 1 1438 . 1 1 115 115 TRP CZ2 C 13 114.446 0.053 . 1 . . 1790 . . 115 TRP CZ2 . 17701 1 1439 . 1 1 115 115 TRP CZ3 C 13 122.316 0.123 . 1 . . 1827 . . 115 TRP CZ3 . 17701 1 1440 . 1 1 115 115 TRP CH2 C 13 122.670 0.125 . 1 . . 1825 . . 115 TRP CH2 . 17701 1 1441 . 1 1 115 115 TRP N N 15 118.290 0.031 . 1 . . 129 . . 115 TRP N . 17701 1 1442 . 1 1 115 115 TRP NE1 N 15 132.410 0.038 . 1 . . 51 . . 115 TRP NE1 . 17701 1 1443 . 1 1 116 116 LEU H H 1 9.328 0.003 . 1 . . 52 . . 116 LEU H . 17701 1 1444 . 1 1 116 116 LEU HA H 1 4.992 0.003 . 1 . . 1198 . . 116 LEU HA . 17701 1 1445 . 1 1 116 116 LEU HB2 H 1 1.219 0.003 . 2 . . 1196 . . 116 LEU HB2 . 17701 1 1446 . 1 1 116 116 LEU HB3 H 1 1.598 0.004 . 2 . . 1197 . . 116 LEU HB3 . 17701 1 1447 . 1 1 116 116 LEU HG H 1 1.463 0.003 . 1 . . 1203 . . 116 LEU HG . 17701 1 1448 . 1 1 116 116 LEU HD11 H 1 0.471 0.003 . 2 . . 1199 . . 116 LEU HD11 . 17701 1 1449 . 1 1 116 116 LEU HD12 H 1 0.471 0.003 . 2 . . 1199 . . 116 LEU HD12 . 17701 1 1450 . 1 1 116 116 LEU HD13 H 1 0.471 0.003 . 2 . . 1199 . . 116 LEU HD13 . 17701 1 1451 . 1 1 116 116 LEU HD21 H 1 0.565 0.003 . 2 . . 1201 . . 116 LEU HD21 . 17701 1 1452 . 1 1 116 116 LEU HD22 H 1 0.565 0.003 . 2 . . 1201 . . 116 LEU HD22 . 17701 1 1453 . 1 1 116 116 LEU HD23 H 1 0.565 0.003 . 2 . . 1201 . . 116 LEU HD23 . 17701 1 1454 . 1 1 116 116 LEU C C 13 175.837 0.05 . 1 . . 383 . . 116 LEU C . 17701 1 1455 . 1 1 116 116 LEU CA C 13 53.938 0.004 . 1 . . 389 . . 116 LEU CA . 17701 1 1456 . 1 1 116 116 LEU CB C 13 41.851 0.015 . 1 . . 390 . . 116 LEU CB . 17701 1 1457 . 1 1 116 116 LEU CG C 13 27.761 0.001 . 1 . . 1204 . . 116 LEU CG . 17701 1 1458 . 1 1 116 116 LEU CD1 C 13 25.659 0.018 . 2 . . 1200 . . 116 LEU CD1 . 17701 1 1459 . 1 1 116 116 LEU CD2 C 13 25.391 0.024 . 2 . . 1202 . . 116 LEU CD2 . 17701 1 1460 . 1 1 116 116 LEU N N 15 129.545 0.019 . 1 . . 53 . . 116 LEU N . 17701 1 1461 . 1 1 117 117 SER H H 1 8.404 0.003 . 1 . . 124 . . 117 SER H . 17701 1 1462 . 1 1 117 117 SER HA H 1 4.441 0.006 . 1 . . 1337 . . 117 SER HA . 17701 1 1463 . 1 1 117 117 SER HB2 H 1 3.773 0.006 . 2 . . 1743 . . 117 SER HB2 . 17701 1 1464 . 1 1 117 117 SER HB3 H 1 3.986 0.005 . 2 . . 1744 . . 117 SER HB3 . 17701 1 1465 . 1 1 117 117 SER C C 13 174.557 0.05 . 1 . . 381 . . 117 SER C . 17701 1 1466 . 1 1 117 117 SER CA C 13 60.108 0.023 . 1 . . 384 . . 117 SER CA . 17701 1 1467 . 1 1 117 117 SER CB C 13 63.896 0.007 . 1 . . 385 . . 117 SER CB . 17701 1 1468 . 1 1 117 117 SER N N 15 119.690 0.028 . 1 . . 382 . . 117 SER N . 17701 1 1469 . 1 1 118 118 LEU H H 1 7.958 0.003 . 1 . . 136 . . 118 LEU H . 17701 1 1470 . 1 1 118 118 LEU HA H 1 5.521 0.007 . 1 . . 1186 . . 118 LEU HA . 17701 1 1471 . 1 1 118 118 LEU HB2 H 1 1.478 0.003 . 2 . . 1188 . . 118 LEU HB2 . 17701 1 1472 . 1 1 118 118 LEU HB3 H 1 1.177 0.002 . 2 . . 1187 . . 118 LEU HB3 . 17701 1 1473 . 1 1 118 118 LEU HG H 1 1.334 0.003 . 1 . . 1193 . . 118 LEU HG . 17701 1 1474 . 1 1 118 118 LEU HD11 H 1 0.598 0.004 . 2 . . 1191 . . 118 LEU HD11 . 17701 1 1475 . 1 1 118 118 LEU HD12 H 1 0.598 0.004 . 2 . . 1191 . . 118 LEU HD12 . 17701 1 1476 . 1 1 118 118 LEU HD13 H 1 0.598 0.004 . 2 . . 1191 . . 118 LEU HD13 . 17701 1 1477 . 1 1 118 118 LEU HD21 H 1 0.499 0.004 . 2 . . 1189 . . 118 LEU HD21 . 17701 1 1478 . 1 1 118 118 LEU HD22 H 1 0.499 0.004 . 2 . . 1189 . . 118 LEU HD22 . 17701 1 1479 . 1 1 118 118 LEU HD23 H 1 0.499 0.004 . 2 . . 1189 . . 118 LEU HD23 . 17701 1 1480 . 1 1 118 118 LEU C C 13 178.235 0.05 . 1 . . 874 . . 118 LEU C . 17701 1 1481 . 1 1 118 118 LEU CA C 13 52.228 0.058 . 1 . . 386 . . 118 LEU CA . 17701 1 1482 . 1 1 118 118 LEU CB C 13 44.279 0.008 . 1 . . 387 . . 118 LEU CB . 17701 1 1483 . 1 1 118 118 LEU CG C 13 27.900 0.06 . 1 . . 1205 . . 118 LEU CG . 17701 1 1484 . 1 1 118 118 LEU CD1 C 13 24.408 0.015 . 2 . . 1192 . . 118 LEU CD1 . 17701 1 1485 . 1 1 118 118 LEU CD2 C 13 24.971 0.006 . 2 . . 1190 . . 118 LEU CD2 . 17701 1 1486 . 1 1 118 118 LEU N N 15 123.137 0.018 . 1 . . 380 . . 118 LEU N . 17701 1 1487 . 1 1 119 119 SER H H 1 7.596 0.005 . 1 . . 872 . . 119 SER H . 17701 1 1488 . 1 1 119 119 SER HA H 1 4.156 0.007 . 1 . . 1334 . . 119 SER HA . 17701 1 1489 . 1 1 119 119 SER HB2 H 1 3.311 0.005 . 2 . . 1335 . . 119 SER HB2 . 17701 1 1490 . 1 1 119 119 SER HB3 H 1 3.454 0.004 . 2 . . 1336 . . 119 SER HB3 . 17701 1 1491 . 1 1 119 119 SER C C 13 172.647 0.05 . 1 . . 621 . . 119 SER C . 17701 1 1492 . 1 1 119 119 SER CA C 13 58.275 0.021 . 1 . . 624 . . 119 SER CA . 17701 1 1493 . 1 1 119 119 SER CB C 13 61.105 0.025 . 1 . . 625 . . 119 SER CB . 17701 1 1494 . 1 1 119 119 SER N N 15 113.987 0.04 . 1 . . 873 . . 119 SER N . 17701 1 1495 . 1 1 120 120 LYS H H 1 8.133 0.003 . 1 . . 619 . . 120 LYS H . 17701 1 1496 . 1 1 120 120 LYS HA H 1 3.956 0.003 . 1 . . 1510 . . 120 LYS HA . 17701 1 1497 . 1 1 120 120 LYS HB2 H 1 1.285 0.002 . 2 . . 1511 . . 120 LYS HB2 . 17701 1 1498 . 1 1 120 120 LYS HB3 H 1 0.656 0.003 . 2 . . 1512 . . 120 LYS HB3 . 17701 1 1499 . 1 1 120 120 LYS HG2 H 1 1.197 0.002 . 2 . . 1513 . . 120 LYS HG2 . 17701 1 1500 . 1 1 120 120 LYS HG3 H 1 0.901 0.003 . 2 . . 1515 . . 120 LYS HG3 . 17701 1 1501 . 1 1 120 120 LYS HD2 H 1 1.493 0.003 . 2 . . 1516 . . 120 LYS HD2 . 17701 1 1502 . 1 1 120 120 LYS HD3 H 1 1.107 0.003 . 2 . . 1518 . . 120 LYS HD3 . 17701 1 1503 . 1 1 120 120 LYS C C 13 175.415 0.05 . 1 . . 646 . . 120 LYS C . 17701 1 1504 . 1 1 120 120 LYS CA C 13 55.755 0.017 . 1 . . 622 . . 120 LYS CA . 17701 1 1505 . 1 1 120 120 LYS CB C 13 35.134 0.018 . 1 . . 623 . . 120 LYS CB . 17701 1 1506 . 1 1 120 120 LYS CG C 13 24.370 0.018 . 1 . . 1514 . . 120 LYS CG . 17701 1 1507 . 1 1 120 120 LYS CD C 13 28.315 0.005 . 1 . . 1517 . . 120 LYS CD . 17701 1 1508 . 1 1 120 120 LYS N N 15 121.864 0.026 . 1 . . 620 . . 120 LYS N . 17701 1 1509 . 1 1 121 121 GLN H H 1 8.768 0.004 . 1 . . 644 . . 121 GLN H . 17701 1 1510 . 1 1 121 121 GLN HA H 1 3.898 0.005 . 1 . . 1605 . . 121 GLN HA . 17701 1 1511 . 1 1 121 121 GLN HB2 H 1 1.747 0.005 . 2 . . 1603 . . 121 GLN HB2 . 17701 1 1512 . 1 1 121 121 GLN HB3 H 1 1.641 0.004 . 2 . . 1604 . . 121 GLN HB3 . 17701 1 1513 . 1 1 121 121 GLN HG2 H 1 2.308 0.005 . 2 . . 1608 . . 121 GLN HG2 . 17701 1 1514 . 1 1 121 121 GLN HG3 H 1 2.331 0.005 . 2 . . 1606 . . 121 GLN HG3 . 17701 1 1515 . 1 1 121 121 GLN HE21 H 1 7.507 0.003 . 1 . . 1609 . . 121 GLN HE21 . 17701 1 1516 . 1 1 121 121 GLN HE22 H 1 6.937 0.004 . 1 . . 1611 . . 121 GLN HE22 . 17701 1 1517 . 1 1 121 121 GLN C C 13 175.838 0.05 . 1 . . 898 . . 121 GLN C . 17701 1 1518 . 1 1 121 121 GLN CA C 13 58.927 0.008 . 1 . . 854 . . 121 GLN CA . 17701 1 1519 . 1 1 121 121 GLN CB C 13 29.527 0.05 . 1 . . 853 . . 121 GLN CB . 17701 1 1520 . 1 1 121 121 GLN CG C 13 33.986 0.001 . 1 . . 1607 . . 121 GLN CG . 17701 1 1521 . 1 1 121 121 GLN N N 15 127.788 0.051 . 1 . . 645 . . 121 GLN N . 17701 1 1522 . 1 1 121 121 GLN NE2 N 15 112.612 0.01 . 1 . . 1610 . . 121 GLN NE2 . 17701 1 1523 . 1 1 122 122 HIS H H 1 8.515 0.011 . 1 . . 896 . . 122 HIS H . 17701 1 1524 . 1 1 122 122 HIS HA H 1 4.388 0.004 . 1 . . 1620 . . 122 HIS HA . 17701 1 1525 . 1 1 122 122 HIS HB2 H 1 3.804 0.004 . 2 . . 1621 . . 122 HIS HB2 . 17701 1 1526 . 1 1 122 122 HIS HB3 H 1 3.312 0.005 . 2 . . 1622 . . 122 HIS HB3 . 17701 1 1527 . 1 1 122 122 HIS HD2 H 1 7.061 0.003 . 1 . . 1891 . . 122 HIS HD2 . 17701 1 1528 . 1 1 122 122 HIS HE1 H 1 8.087 0.0 . 1 . . 1906 . . 122 HIS HE1 . 17701 1 1529 . 1 1 122 122 HIS C C 13 174.083 0.05 . 1 . . 650 . . 122 HIS C . 17701 1 1530 . 1 1 122 122 HIS CA C 13 58.584 0.007 . 1 . . 652 . . 122 HIS CA . 17701 1 1531 . 1 1 122 122 HIS CB C 13 28.440 0.024 . 1 . . 653 . . 122 HIS CB . 17701 1 1532 . 1 1 122 122 HIS CD2 C 13 120.118 0.05 . 1 . . 1892 . . 122 HIS CD2 . 17701 1 1533 . 1 1 122 122 HIS N N 15 114.220 0.054 . 1 . . 897 . . 122 HIS N . 17701 1 1534 . 1 1 122 122 HIS ND1 N 15 201.709 0.001 . 1 . . 1907 . . 122 HIS ND1 . 17701 1 1535 . 1 1 122 122 HIS NE2 N 15 178.602 0.016 . 1 . . 1905 . . 122 HIS NE2 . 17701 1 1536 . 1 1 123 123 TYR H H 1 8.756 0.003 . 1 . . 647 . . 123 TYR H . 17701 1 1537 . 1 1 123 123 TYR HA H 1 5.190 0.005 . 1 . . 1639 . . 123 TYR HA . 17701 1 1538 . 1 1 123 123 TYR HB2 H 1 3.330 0.004 . 2 . . 1640 . . 123 TYR HB2 . 17701 1 1539 . 1 1 123 123 TYR HB3 H 1 2.253 0.004 . 2 . . 1641 . . 123 TYR HB3 . 17701 1 1540 . 1 1 123 123 TYR HD1 H 1 6.506 0.002 . 3 . . 1962 . . 123 TYR HD1 . 17701 1 1541 . 1 1 123 123 TYR HD2 H 1 6.506 0.002 . 3 . . 1962 . . 123 TYR HD2 . 17701 1 1542 . 1 1 123 123 TYR HE1 H 1 6.502 0.003 . 3 . . 1822 . . 123 TYR HE1 . 17701 1 1543 . 1 1 123 123 TYR HE2 H 1 6.502 0.003 . 3 . . 1822 . . 123 TYR HE2 . 17701 1 1544 . 1 1 123 123 TYR C C 13 176.465 0.05 . 1 . . 374 . . 123 TYR C . 17701 1 1545 . 1 1 123 123 TYR CA C 13 56.347 0.015 . 1 . . 651 . . 123 TYR CA . 17701 1 1546 . 1 1 123 123 TYR CB C 13 39.290 0.033 . 1 . . 649 . . 123 TYR CB . 17701 1 1547 . 1 1 123 123 TYR CD1 C 13 131.099 0.056 . 3 . . 1963 . . 123 TYR CD1 . 17701 1 1548 . 1 1 123 123 TYR CD2 C 13 131.099 0.056 . 3 . . 1963 . . 123 TYR CD2 . 17701 1 1549 . 1 1 123 123 TYR CE1 C 13 117.978 0.065 . 3 . . 1823 . . 123 TYR CE1 . 17701 1 1550 . 1 1 123 123 TYR CE2 C 13 117.978 0.065 . 3 . . 1823 . . 123 TYR CE2 . 17701 1 1551 . 1 1 123 123 TYR N N 15 119.051 0.015 . 1 . . 648 . . 123 TYR N . 17701 1 1552 . 1 1 124 124 GLY H H 1 7.431 0.003 . 1 . . 89 . . 124 GLY H . 17701 1 1553 . 1 1 124 124 GLY HA2 H 1 2.344 0.006 . 2 . . 1291 . . 124 GLY HA2 . 17701 1 1554 . 1 1 124 124 GLY HA3 H 1 4.196 0.005 . 2 . . 1292 . . 124 GLY HA3 . 17701 1 1555 . 1 1 124 124 GLY C C 13 170.199 0.05 . 1 . . 274 . . 124 GLY C . 17701 1 1556 . 1 1 124 124 GLY CA C 13 45.364 0.009 . 1 . . 375 . . 124 GLY CA . 17701 1 1557 . 1 1 124 124 GLY N N 15 108.446 0.043 . 1 . . 373 . . 124 GLY N . 17701 1 1558 . 1 1 125 125 ILE H H 1 8.333 0.005 . 1 . . 186 . . 125 ILE H . 17701 1 1559 . 1 1 125 125 ILE HA H 1 4.554 0.004 . 1 . . 1089 . . 125 ILE HA . 17701 1 1560 . 1 1 125 125 ILE HB H 1 1.233 0.004 . 1 . . 1090 . . 125 ILE HB . 17701 1 1561 . 1 1 125 125 ILE HG12 H 1 1.596 0.001 . 2 . . 1764 . . 125 ILE HG12 . 17701 1 1562 . 1 1 125 125 ILE HG13 H 1 1.324 0.001 . 2 . . 1765 . . 125 ILE HG13 . 17701 1 1563 . 1 1 125 125 ILE HG21 H 1 0.575 0.004 . 1 . . 1175 . . 125 ILE HG21 . 17701 1 1564 . 1 1 125 125 ILE HG22 H 1 0.575 0.004 . 1 . . 1175 . . 125 ILE HG22 . 17701 1 1565 . 1 1 125 125 ILE HG23 H 1 0.575 0.004 . 1 . . 1175 . . 125 ILE HG23 . 17701 1 1566 . 1 1 125 125 ILE HD11 H 1 0.587 0.003 . 1 . . 1091 . . 125 ILE HD11 . 17701 1 1567 . 1 1 125 125 ILE HD12 H 1 0.587 0.003 . 1 . . 1091 . . 125 ILE HD12 . 17701 1 1568 . 1 1 125 125 ILE HD13 H 1 0.587 0.003 . 1 . . 1091 . . 125 ILE HD13 . 17701 1 1569 . 1 1 125 125 ILE C C 13 173.775 0.05 . 1 . . 365 . . 125 ILE C . 17701 1 1570 . 1 1 125 125 ILE CA C 13 59.781 0.022 . 1 . . 371 . . 125 ILE CA . 17701 1 1571 . 1 1 125 125 ILE CB C 13 40.571 0.04 . 1 . . 372 . . 125 ILE CB . 17701 1 1572 . 1 1 125 125 ILE CG2 C 13 18.631 0.012 . 1 . . 1176 . . 125 ILE CG2 . 17701 1 1573 . 1 1 125 125 ILE CD1 C 13 13.972 0.033 . 1 . . 1092 . . 125 ILE CD1 . 17701 1 1574 . 1 1 125 125 ILE N N 15 120.702 0.016 . 1 . . 187 . . 125 ILE N . 17701 1 1575 . 1 1 126 126 HIS H H 1 8.879 0.002 . 1 . . 157 . . 126 HIS H . 17701 1 1576 . 1 1 126 126 HIS HA H 1 5.757 0.005 . 1 . . 1195 . . 126 HIS HA . 17701 1 1577 . 1 1 126 126 HIS HB2 H 1 4.042 0.004 . 2 . . 1618 . . 126 HIS HB2 . 17701 1 1578 . 1 1 126 126 HIS HB3 H 1 3.272 0.006 . 2 . . 1619 . . 126 HIS HB3 . 17701 1 1579 . 1 1 126 126 HIS HD1 H 1 13.165 0.003 . 1 . . 1952 . . 126 HIS HD1 . 17701 1 1580 . 1 1 126 126 HIS HD2 H 1 6.200 0.004 . 1 . . 1889 . . 126 HIS HD2 . 17701 1 1581 . 1 1 126 126 HIS HE1 H 1 7.734 0.003 . 1 . . 1902 . . 126 HIS HE1 . 17701 1 1582 . 1 1 126 126 HIS C C 13 174.089 0.05 . 1 . . 364 . . 126 HIS C . 17701 1 1583 . 1 1 126 126 HIS CA C 13 54.027 0.057 . 1 . . 366 . . 126 HIS CA . 17701 1 1584 . 1 1 126 126 HIS CB C 13 32.358 0.042 . 1 . . 367 . . 126 HIS CB . 17701 1 1585 . 1 1 126 126 HIS CD2 C 13 131.348 0.079 . 1 . . 1890 . . 126 HIS CD2 . 17701 1 1586 . 1 1 126 126 HIS CE1 C 13 137.918 0.05 . 1 . . 1903 . . 126 HIS CE1 . 17701 1 1587 . 1 1 126 126 HIS N N 15 123.924 0.016 . 1 . . 158 . . 126 HIS N . 17701 1 1588 . 1 1 126 126 HIS ND1 N 15 167.954 0.082 . 1 . . 1904 . . 126 HIS ND1 . 17701 1 1589 . 1 1 126 126 HIS NE2 N 15 248.883 0.005 . 1 . . 1901 . . 126 HIS NE2 . 17701 1 1590 . 1 1 127 127 GLY H H 1 8.390 0.003 . 1 . . 27 . . 127 GLY H . 17701 1 1591 . 1 1 127 127 GLY HA2 H 1 5.281 0.005 . 2 . . 1289 . . 127 GLY HA2 . 17701 1 1592 . 1 1 127 127 GLY HA3 H 1 4.199 0.005 . 2 . . 1290 . . 127 GLY HA3 . 17701 1 1593 . 1 1 127 127 GLY C C 13 173.649 0.05 . 1 . . 362 . . 127 GLY C . 17701 1 1594 . 1 1 127 127 GLY CA C 13 44.540 0.024 . 1 . . 363 . . 127 GLY CA . 17701 1 1595 . 1 1 127 127 GLY N N 15 106.721 0.038 . 1 . . 28 . . 127 GLY N . 17701 1 1596 . 1 1 128 128 THR H H 1 7.734 0.005 . 1 . . 361 . . 128 THR H . 17701 1 1597 . 1 1 128 128 THR HA H 1 5.048 0.006 . 1 . . 955 . . 128 THR HA . 17701 1 1598 . 1 1 128 128 THR HB H 1 4.001 0.005 . 1 . . 956 . . 128 THR HB . 17701 1 1599 . 1 1 128 128 THR HG21 H 1 0.847 0.009 . 1 . . 949 . . 128 THR HG21 . 17701 1 1600 . 1 1 128 128 THR HG22 H 1 0.847 0.009 . 1 . . 949 . . 128 THR HG22 . 17701 1 1601 . 1 1 128 128 THR HG23 H 1 0.847 0.009 . 1 . . 949 . . 128 THR HG23 . 17701 1 1602 . 1 1 128 128 THR C C 13 171.396 0.05 . 1 . . 356 . . 128 THR C . 17701 1 1603 . 1 1 128 128 THR CA C 13 59.943 0.016 . 1 . . 358 . . 128 THR CA . 17701 1 1604 . 1 1 128 128 THR CB C 13 69.640 0.022 . 1 . . 359 . . 128 THR CB . 17701 1 1605 . 1 1 128 128 THR CG2 C 13 17.402 0.008 . 1 . . 950 . . 128 THR CG2 . 17701 1 1606 . 1 1 128 128 THR N N 15 109.428 0.022 . 1 . . 43 . . 128 THR N . 17701 1 1607 . 1 1 129 129 ASN H H 1 7.641 0.003 . 1 . . 79 . . 129 ASN H . 17701 1 1608 . 1 1 129 129 ASN HA H 1 5.013 0.004 . 1 . . 1462 . . 129 ASN HA . 17701 1 1609 . 1 1 129 129 ASN HB2 H 1 3.179 0.005 . 2 . . 1460 . . 129 ASN HB2 . 17701 1 1610 . 1 1 129 129 ASN HB3 H 1 2.781 0.002 . 2 . . 1461 . . 129 ASN HB3 . 17701 1 1611 . 1 1 129 129 ASN HD21 H 1 6.881 0.003 . 1 . . 95 . . 129 ASN HD21 . 17701 1 1612 . 1 1 129 129 ASN HD22 H 1 7.475 0.002 . 1 . . 97 . . 129 ASN HD22 . 17701 1 1613 . 1 1 129 129 ASN C C 13 175.729 0.05 . 1 . . 352 . . 129 ASN C . 17701 1 1614 . 1 1 129 129 ASN CA C 13 52.099 0.025 . 1 . . 357 . . 129 ASN CA . 17701 1 1615 . 1 1 129 129 ASN CB C 13 38.122 0.008 . 1 . . 360 . . 129 ASN CB . 17701 1 1616 . 1 1 129 129 ASN N N 15 122.002 0.016 . 1 . . 355 . . 129 ASN N . 17701 1 1617 . 1 1 129 129 ASN ND2 N 15 109.767 0.014 . 1 . . 96 . . 129 ASN ND2 . 17701 1 1618 . 1 1 130 130 ASN H H 1 9.282 0.004 . 1 . . 350 . . 130 ASN H . 17701 1 1619 . 1 1 130 130 ASN HA H 1 5.215 0.005 . 1 . . 1457 . . 130 ASN HA . 17701 1 1620 . 1 1 130 130 ASN HB2 H 1 2.739 0.003 . 2 . . 1458 . . 130 ASN HB2 . 17701 1 1621 . 1 1 130 130 ASN HB3 H 1 2.594 0.003 . 2 . . 1459 . . 130 ASN HB3 . 17701 1 1622 . 1 1 130 130 ASN HD21 H 1 6.926 0.003 . 1 . . 827 . . 130 ASN HD21 . 17701 1 1623 . 1 1 130 130 ASN HD22 H 1 7.672 0.003 . 1 . . 825 . . 130 ASN HD22 . 17701 1 1624 . 1 1 130 130 ASN C C 13 173.082 0.05 . 1 . . 1728 . . 130 ASN C . 17701 1 1625 . 1 1 130 130 ASN CA C 13 50.051 0.004 . 1 . . 353 . . 130 ASN CA . 17701 1 1626 . 1 1 130 130 ASN CB C 13 38.379 0.009 . 1 . . 354 . . 130 ASN CB . 17701 1 1627 . 1 1 130 130 ASN N N 15 118.405 0.016 . 1 . . 351 . . 130 ASN N . 17701 1 1628 . 1 1 130 130 ASN ND2 N 15 110.486 0.014 . 1 . . 826 . . 130 ASN ND2 . 17701 1 1629 . 1 1 131 131 PRO HA H 1 4.149 0.004 . 1 . . 1364 . . 131 PRO HA . 17701 1 1630 . 1 1 131 131 PRO HB2 H 1 2.686 0.003 . 2 . . 1365 . . 131 PRO HB2 . 17701 1 1631 . 1 1 131 131 PRO HB3 H 1 2.229 0.002 . 2 . . 1366 . . 131 PRO HB3 . 17701 1 1632 . 1 1 131 131 PRO HG2 H 1 2.227 0.002 . 2 . . 1367 . . 131 PRO HG2 . 17701 1 1633 . 1 1 131 131 PRO HG3 H 1 2.176 0.002 . 2 . . 1369 . . 131 PRO HG3 . 17701 1 1634 . 1 1 131 131 PRO HD2 H 1 3.998 0.003 . 2 . . 1370 . . 131 PRO HD2 . 17701 1 1635 . 1 1 131 131 PRO HD3 H 1 3.601 0.003 . 2 . . 1372 . . 131 PRO HD3 . 17701 1 1636 . 1 1 131 131 PRO C C 13 177.073 0.05 . 1 . . 347 . . 131 PRO C . 17701 1 1637 . 1 1 131 131 PRO CA C 13 65.249 0.005 . 1 . . 348 . . 131 PRO CA . 17701 1 1638 . 1 1 131 131 PRO CB C 13 32.130 0.018 . 1 . . 349 . . 131 PRO CB . 17701 1 1639 . 1 1 131 131 PRO CG C 13 27.464 0.001 . 1 . . 1368 . . 131 PRO CG . 17701 1 1640 . 1 1 131 131 PRO CD C 13 50.688 0.003 . 1 . . 1371 . . 131 PRO CD . 17701 1 1641 . 1 1 132 132 ALA H H 1 7.739 0.003 . 1 . . 345 . . 132 ALA H . 17701 1 1642 . 1 1 132 132 ALA HA H 1 4.251 0.003 . 1 . . 910 . . 132 ALA HA . 17701 1 1643 . 1 1 132 132 ALA HB1 H 1 1.456 0.003 . 1 . . 934 . . 132 ALA HB1 . 17701 1 1644 . 1 1 132 132 ALA HB2 H 1 1.456 0.003 . 1 . . 934 . . 132 ALA HB2 . 17701 1 1645 . 1 1 132 132 ALA HB3 H 1 1.456 0.003 . 1 . . 934 . . 132 ALA HB3 . 17701 1 1646 . 1 1 132 132 ALA C C 13 177.747 0.05 . 1 . . 340 . . 132 ALA C . 17701 1 1647 . 1 1 132 132 ALA CA C 13 53.817 0.011 . 1 . . 343 . . 132 ALA CA . 17701 1 1648 . 1 1 132 132 ALA CB C 13 18.224 0.068 . 1 . . 342 . . 132 ALA CB . 17701 1 1649 . 1 1 132 132 ALA N N 15 118.679 0.024 . 1 . . 346 . . 132 ALA N . 17701 1 1650 . 1 1 133 133 SER H H 1 7.873 0.002 . 1 . . 338 . . 133 SER H . 17701 1 1651 . 1 1 133 133 SER HA H 1 4.062 0.004 . 1 . . 1331 . . 133 SER HA . 17701 1 1652 . 1 1 133 133 SER HB2 H 1 3.784 0.003 . 2 . . 1333 . . 133 SER HB2 . 17701 1 1653 . 1 1 133 133 SER HB3 H 1 3.841 0.002 . 2 . . 1332 . . 133 SER HB3 . 17701 1 1654 . 1 1 133 133 SER C C 13 173.291 0.05 . 1 . . 335 . . 133 SER C . 17701 1 1655 . 1 1 133 133 SER CA C 13 59.290 0.02 . 1 . . 341 . . 133 SER CA . 17701 1 1656 . 1 1 133 133 SER CB C 13 65.095 0.02 . 1 . . 344 . . 133 SER CB . 17701 1 1657 . 1 1 133 133 SER N N 15 111.809 0.014 . 1 . . 339 . . 133 SER N . 17701 1 1658 . 1 1 134 134 ILE H H 1 6.853 0.003 . 1 . . 333 . . 134 ILE H . 17701 1 1659 . 1 1 134 134 ILE HA H 1 3.454 0.005 . 1 . . 1080 . . 134 ILE HA . 17701 1 1660 . 1 1 134 134 ILE HB H 1 1.775 0.005 . 1 . . 1081 . . 134 ILE HB . 17701 1 1661 . 1 1 134 134 ILE HG12 H 1 1.313 0.004 . 2 . . 1086 . . 134 ILE HG12 . 17701 1 1662 . 1 1 134 134 ILE HG13 H 1 -0.050 0.004 . 2 . . 1088 . . 134 ILE HG13 . 17701 1 1663 . 1 1 134 134 ILE HG21 H 1 0.606 0.006 . 1 . . 1084 . . 134 ILE HG21 . 17701 1 1664 . 1 1 134 134 ILE HG22 H 1 0.606 0.006 . 1 . . 1084 . . 134 ILE HG22 . 17701 1 1665 . 1 1 134 134 ILE HG23 H 1 0.606 0.006 . 1 . . 1084 . . 134 ILE HG23 . 17701 1 1666 . 1 1 134 134 ILE HD11 H 1 0.224 0.003 . 1 . . 1082 . . 134 ILE HD11 . 17701 1 1667 . 1 1 134 134 ILE HD12 H 1 0.224 0.003 . 1 . . 1082 . . 134 ILE HD12 . 17701 1 1668 . 1 1 134 134 ILE HD13 H 1 0.224 0.003 . 1 . . 1082 . . 134 ILE HD13 . 17701 1 1669 . 1 1 134 134 ILE C C 13 176.999 0.05 . 1 . . 331 . . 134 ILE C . 17701 1 1670 . 1 1 134 134 ILE CA C 13 61.333 0.037 . 1 . . 337 . . 134 ILE CA . 17701 1 1671 . 1 1 134 134 ILE CB C 13 33.578 0.071 . 1 . . 336 . . 134 ILE CB . 17701 1 1672 . 1 1 134 134 ILE CG1 C 13 25.532 0.053 . 1 . . 1087 . . 134 ILE CG1 . 17701 1 1673 . 1 1 134 134 ILE CG2 C 13 17.468 0.003 . 1 . . 1085 . . 134 ILE CG2 . 17701 1 1674 . 1 1 134 134 ILE CD1 C 13 8.433 0.05 . 1 . . 1083 . . 134 ILE CD1 . 17701 1 1675 . 1 1 134 134 ILE N N 15 119.396 0.016 . 1 . . 334 . . 134 ILE N . 17701 1 1676 . 1 1 135 135 GLY H H 1 6.819 0.004 . 1 . . 329 . . 135 GLY H . 17701 1 1677 . 1 1 135 135 GLY HA2 H 1 4.483 0.005 . 2 . . 1287 . . 135 GLY HA2 . 17701 1 1678 . 1 1 135 135 GLY HA3 H 1 3.895 0.004 . 2 . . 1288 . . 135 GLY HA3 . 17701 1 1679 . 1 1 135 135 GLY C C 13 173.984 0.05 . 1 . . 326 . . 135 GLY C . 17701 1 1680 . 1 1 135 135 GLY CA C 13 44.969 0.012 . 1 . . 332 . . 135 GLY CA . 17701 1 1681 . 1 1 135 135 GLY N N 15 113.570 0.035 . 1 . . 330 . . 135 GLY N . 17701 1 1682 . 1 1 136 136 LYS H H 1 7.569 0.003 . 1 . . 142 . . 136 LYS H . 17701 1 1683 . 1 1 136 136 LYS HA H 1 4.733 0.008 . 1 . . 908 . . 136 LYS HA . 17701 1 1684 . 1 1 136 136 LYS HB3 H 1 1.874 0.003 . 1 . . 1503 . . 136 LYS HB3 . 17701 1 1685 . 1 1 136 136 LYS HG2 H 1 1.286 0.003 . 2 . . 1507 . . 136 LYS HG2 . 17701 1 1686 . 1 1 136 136 LYS HG3 H 1 1.235 0.004 . 2 . . 1509 . . 136 LYS HG3 . 17701 1 1687 . 1 1 136 136 LYS HD2 H 1 1.528 0.003 . 2 . . 1504 . . 136 LYS HD2 . 17701 1 1688 . 1 1 136 136 LYS HD3 H 1 1.644 0.003 . 2 . . 1506 . . 136 LYS HD3 . 17701 1 1689 . 1 1 136 136 LYS C C 13 175.595 0.05 . 1 . . 321 . . 136 LYS C . 17701 1 1690 . 1 1 136 136 LYS CA C 13 54.872 0.019 . 1 . . 327 . . 136 LYS CA . 17701 1 1691 . 1 1 136 136 LYS CB C 13 34.906 0.017 . 1 . . 328 . . 136 LYS CB . 17701 1 1692 . 1 1 136 136 LYS CG C 13 25.498 0.007 . 1 . . 1508 . . 136 LYS CG . 17701 1 1693 . 1 1 136 136 LYS CD C 13 29.178 0.003 . 1 . . 1505 . . 136 LYS CD . 17701 1 1694 . 1 1 136 136 LYS N N 15 118.409 0.017 . 1 . . 143 . . 136 LYS N . 17701 1 1695 . 1 1 137 137 ALA H H 1 8.334 0.004 . 1 . . 73 . . 137 ALA H . 17701 1 1696 . 1 1 137 137 ALA HA H 1 4.854 0.008 . 1 . . 907 . . 137 ALA HA . 17701 1 1697 . 1 1 137 137 ALA HB1 H 1 1.401 0.006 . 1 . . 909 . . 137 ALA HB1 . 17701 1 1698 . 1 1 137 137 ALA HB2 H 1 1.401 0.006 . 1 . . 909 . . 137 ALA HB2 . 17701 1 1699 . 1 1 137 137 ALA HB3 H 1 1.401 0.006 . 1 . . 909 . . 137 ALA HB3 . 17701 1 1700 . 1 1 137 137 ALA C C 13 177.439 0.05 . 1 . . 318 . . 137 ALA C . 17701 1 1701 . 1 1 137 137 ALA CA C 13 52.064 0.023 . 1 . . 325 . . 137 ALA CA . 17701 1 1702 . 1 1 137 137 ALA CB C 13 18.563 0.032 . 1 . . 323 . . 137 ALA CB . 17701 1 1703 . 1 1 137 137 ALA N N 15 123.210 0.021 . 1 . . 74 . . 137 ALA N . 17701 1 1704 . 1 1 138 138 VAL H H 1 8.319 0.002 . 1 . . 317 . . 138 VAL H . 17701 1 1705 . 1 1 138 138 VAL HA H 1 4.855 0.004 . 1 . . 1009 . . 138 VAL HA . 17701 1 1706 . 1 1 138 138 VAL HB H 1 2.474 0.005 . 1 . . 1010 . . 138 VAL HB . 17701 1 1707 . 1 1 138 138 VAL HG11 H 1 0.629 0.003 . 2 . . 1011 . . 138 VAL HG11 . 17701 1 1708 . 1 1 138 138 VAL HG12 H 1 0.629 0.003 . 2 . . 1011 . . 138 VAL HG12 . 17701 1 1709 . 1 1 138 138 VAL HG13 H 1 0.629 0.003 . 2 . . 1011 . . 138 VAL HG13 . 17701 1 1710 . 1 1 138 138 VAL HG21 H 1 0.816 0.003 . 2 . . 1013 . . 138 VAL HG21 . 17701 1 1711 . 1 1 138 138 VAL HG22 H 1 0.816 0.003 . 2 . . 1013 . . 138 VAL HG22 . 17701 1 1712 . 1 1 138 138 VAL HG23 H 1 0.816 0.003 . 2 . . 1013 . . 138 VAL HG23 . 17701 1 1713 . 1 1 138 138 VAL C C 13 176.046 0.05 . 1 . . 860 . . 138 VAL C . 17701 1 1714 . 1 1 138 138 VAL CA C 13 59.013 0.017 . 1 . . 322 . . 138 VAL CA . 17701 1 1715 . 1 1 138 138 VAL CB C 13 35.618 0.013 . 1 . . 324 . . 138 VAL CB . 17701 1 1716 . 1 1 138 138 VAL CG1 C 13 18.896 0.025 . 2 . . 1012 . . 138 VAL CG1 . 17701 1 1717 . 1 1 138 138 VAL CG2 C 13 23.031 0.051 . 2 . . 1897 . . 138 VAL CG2 . 17701 1 1718 . 1 1 138 138 VAL N N 15 116.542 0.025 . 1 . . 88 . . 138 VAL N . 17701 1 1719 . 1 1 139 139 SER H H 1 8.378 0.003 . 1 . . 858 . . 139 SER H . 17701 1 1720 . 1 1 139 139 SER HA H 1 4.760 0.003 . 1 . . 1745 . . 139 SER HA . 17701 1 1721 . 1 1 139 139 SER HB3 H 1 3.980 0.003 . 1 . . 1330 . . 139 SER HB3 . 17701 1 1722 . 1 1 139 139 SER C C 13 175.708 0.05 . 1 . . 316 . . 139 SER C . 17701 1 1723 . 1 1 139 139 SER CA C 13 61.073 0.065 . 1 . . 319 . . 139 SER CA . 17701 1 1724 . 1 1 139 139 SER CB C 13 63.880 0.049 . 1 . . 320 . . 139 SER CB . 17701 1 1725 . 1 1 139 139 SER N N 15 114.979 0.017 . 1 . . 859 . . 139 SER N . 17701 1 1726 . 1 1 140 140 LYS H H 1 8.078 0.003 . 1 . . 116 . . 140 LYS H . 17701 1 1727 . 1 1 140 140 LYS HA H 1 4.567 0.005 . 1 . . 1494 . . 140 LYS HA . 17701 1 1728 . 1 1 140 140 LYS HB2 H 1 1.782 0.003 . 2 . . 1495 . . 140 LYS HB2 . 17701 1 1729 . 1 1 140 140 LYS HB3 H 1 1.901 0.004 . 2 . . 1496 . . 140 LYS HB3 . 17701 1 1730 . 1 1 140 140 LYS HG2 H 1 1.499 0.004 . 2 . . 1497 . . 140 LYS HG2 . 17701 1 1731 . 1 1 140 140 LYS HG3 H 1 1.415 0.003 . 2 . . 1499 . . 140 LYS HG3 . 17701 1 1732 . 1 1 140 140 LYS HD2 H 1 1.619 0.002 . 2 . . 1502 . . 140 LYS HD2 . 17701 1 1733 . 1 1 140 140 LYS HD3 H 1 1.638 0.003 . 2 . . 1500 . . 140 LYS HD3 . 17701 1 1734 . 1 1 140 140 LYS C C 13 177.695 0.05 . 1 . . 312 . . 140 LYS C . 17701 1 1735 . 1 1 140 140 LYS CA C 13 55.927 0.043 . 1 . . 315 . . 140 LYS CA . 17701 1 1736 . 1 1 140 140 LYS CB C 13 34.651 0.016 . 1 . . 314 . . 140 LYS CB . 17701 1 1737 . 1 1 140 140 LYS CG C 13 25.310 0.004 . 1 . . 1498 . . 140 LYS CG . 17701 1 1738 . 1 1 140 140 LYS CD C 13 28.786 0.011 . 1 . . 1501 . . 140 LYS CD . 17701 1 1739 . 1 1 140 140 LYS N N 15 120.057 0.02 . 1 . . 117 . . 140 LYS N . 17701 1 1740 . 1 1 141 141 GLY H H 1 9.032 0.004 . 1 . . 310 . . 141 GLY H . 17701 1 1741 . 1 1 141 141 GLY HA2 H 1 4.383 0.01 . 2 . . 1285 . . 141 GLY HA2 . 17701 1 1742 . 1 1 141 141 GLY HA3 H 1 3.976 0.006 . 2 . . 1286 . . 141 GLY HA3 . 17701 1 1743 . 1 1 141 141 GLY C C 13 172.968 0.05 . 1 . . 1729 . . 141 GLY C . 17701 1 1744 . 1 1 141 141 GLY CA C 13 44.953 0.04 . 1 . . 313 . . 141 GLY CA . 17701 1 1745 . 1 1 141 141 GLY N N 15 109.285 0.021 . 1 . . 311 . . 141 GLY N . 17701 1 1746 . 1 1 142 142 CYS H H 1 12.395 0.007 . 1 . . 1950 . . 142 CYS H . 17701 1 1747 . 1 1 142 142 CYS HA H 1 4.681 0.004 . 1 . . 1627 . . 142 CYS HA . 17701 1 1748 . 1 1 142 142 CYS HB2 H 1 3.085 0.004 . 2 . . 1628 . . 142 CYS HB2 . 17701 1 1749 . 1 1 142 142 CYS HB3 H 1 3.207 0.006 . 2 . . 1629 . . 142 CYS HB3 . 17701 1 1750 . 1 1 142 142 CYS C C 13 173.029 0.05 . 1 . . 306 . . 142 CYS C . 17701 1 1751 . 1 1 142 142 CYS CA C 13 59.555 0.017 . 1 . . 1626 . . 142 CYS CA . 17701 1 1752 . 1 1 142 142 CYS CB C 13 25.969 0.006 . 1 . . 308 . . 142 CYS CB . 17701 1 1753 . 1 1 142 142 CYS N N 15 127.921 0.018 . 1 . . 1951 . . 142 CYS N . 17701 1 1754 . 1 1 143 143 ILE H H 1 7.486 0.005 . 1 . . 304 . . 143 ILE H . 17701 1 1755 . 1 1 143 143 ILE HA H 1 4.056 0.003 . 1 . . 1076 . . 143 ILE HA . 17701 1 1756 . 1 1 143 143 ILE HB H 1 1.821 0.006 . 1 . . 1077 . . 143 ILE HB . 17701 1 1757 . 1 1 143 143 ILE HG12 H 1 1.342 0.01 . 2 . . 1762 . . 143 ILE HG12 . 17701 1 1758 . 1 1 143 143 ILE HG13 H 1 0.782 0.001 . 2 . . 1763 . . 143 ILE HG13 . 17701 1 1759 . 1 1 143 143 ILE HG21 H 1 0.673 0.002 . 1 . . 999 . . 143 ILE HG21 . 17701 1 1760 . 1 1 143 143 ILE HG22 H 1 0.673 0.002 . 1 . . 999 . . 143 ILE HG22 . 17701 1 1761 . 1 1 143 143 ILE HG23 H 1 0.673 0.002 . 1 . . 999 . . 143 ILE HG23 . 17701 1 1762 . 1 1 143 143 ILE HD11 H 1 0.599 0.002 . 1 . . 1078 . . 143 ILE HD11 . 17701 1 1763 . 1 1 143 143 ILE HD12 H 1 0.599 0.002 . 1 . . 1078 . . 143 ILE HD12 . 17701 1 1764 . 1 1 143 143 ILE HD13 H 1 0.599 0.002 . 1 . . 1078 . . 143 ILE HD13 . 17701 1 1765 . 1 1 143 143 ILE C C 13 169.971 0.05 . 1 . . 301 . . 143 ILE C . 17701 1 1766 . 1 1 143 143 ILE CA C 13 62.226 0.039 . 1 . . 309 . . 143 ILE CA . 17701 1 1767 . 1 1 143 143 ILE CB C 13 37.560 0.035 . 1 . . 307 . . 143 ILE CB . 17701 1 1768 . 1 1 143 143 ILE CG2 C 13 18.638 0.012 . 1 . . 1000 . . 143 ILE CG2 . 17701 1 1769 . 1 1 143 143 ILE CD1 C 13 14.302 0.025 . 1 . . 1079 . . 143 ILE CD1 . 17701 1 1770 . 1 1 143 143 ILE N N 15 126.203 0.018 . 1 . . 305 . . 143 ILE N . 17701 1 1771 . 1 1 144 144 ARG H H 1 8.060 0.004 . 1 . . 59 . . 144 ARG H . 17701 1 1772 . 1 1 144 144 ARG HA H 1 3.731 0.004 . 1 . . 1660 . . 144 ARG HA . 17701 1 1773 . 1 1 144 144 ARG HB3 H 1 1.786 0.007 . 1 . . 1663 . . 144 ARG HB3 . 17701 1 1774 . 1 1 144 144 ARG HD2 H 1 3.403 0.008 . 2 . . 1662 . . 144 ARG HD2 . 17701 1 1775 . 1 1 144 144 ARG HD3 H 1 2.741 0.005 . 2 . . 1664 . . 144 ARG HD3 . 17701 1 1776 . 1 1 144 144 ARG C C 13 173.231 0.05 . 1 . . 299 . . 144 ARG C . 17701 1 1777 . 1 1 144 144 ARG CA C 13 54.802 0.023 . 1 . . 302 . . 144 ARG CA . 17701 1 1778 . 1 1 144 144 ARG CB C 13 33.762 0.008 . 1 . . 303 . . 144 ARG CB . 17701 1 1779 . 1 1 144 144 ARG CD C 13 44.129 0.045 . 1 . . 1661 . . 144 ARG CD . 17701 1 1780 . 1 1 144 144 ARG N N 15 129.984 0.029 . 1 . . 60 . . 144 ARG N . 17701 1 1781 . 1 1 145 145 MET H H 1 8.967 0.003 . 1 . . 180 . . 145 MET H . 17701 1 1782 . 1 1 145 145 MET HA H 1 4.667 0.005 . 1 . . 1315 . . 145 MET HA . 17701 1 1783 . 1 1 145 145 MET HB2 H 1 1.570 0.006 . 2 . . 1316 . . 145 MET HB2 . 17701 1 1784 . 1 1 145 145 MET HB3 H 1 2.549 0.005 . 2 . . 1317 . . 145 MET HB3 . 17701 1 1785 . 1 1 145 145 MET HG2 H 1 2.187 0.003 . 2 . . 1746 . . 145 MET HG2 . 17701 1 1786 . 1 1 145 145 MET HG3 H 1 2.002 0.003 . 2 . . 1747 . . 145 MET HG3 . 17701 1 1787 . 1 1 145 145 MET HE1 H 1 1.308 0.008 . 1 . . 1318 . . 145 MET HE1 . 17701 1 1788 . 1 1 145 145 MET HE2 H 1 1.308 0.008 . 1 . . 1318 . . 145 MET HE2 . 17701 1 1789 . 1 1 145 145 MET HE3 H 1 1.308 0.008 . 1 . . 1318 . . 145 MET HE3 . 17701 1 1790 . 1 1 145 145 MET C C 13 175.767 0.05 . 1 . . 295 . . 145 MET C . 17701 1 1791 . 1 1 145 145 MET CA C 13 54.250 0.022 . 1 . . 297 . . 145 MET CA . 17701 1 1792 . 1 1 145 145 MET CB C 13 38.051 0.049 . 1 . . 300 . . 145 MET CB . 17701 1 1793 . 1 1 145 145 MET CE C 13 17.150 0.014 . 1 . . 1319 . . 145 MET CE . 17701 1 1794 . 1 1 145 145 MET N N 15 124.458 0.018 . 1 . . 181 . . 145 MET N . 17701 1 1795 . 1 1 146 146 HIS H H 1 9.490 0.007 . 1 . . 293 . . 146 HIS H . 17701 1 1796 . 1 1 146 146 HIS HA H 1 4.456 0.005 . 1 . . 1615 . . 146 HIS HA . 17701 1 1797 . 1 1 146 146 HIS HB2 H 1 3.027 0.004 . 2 . . 1617 . . 146 HIS HB2 . 17701 1 1798 . 1 1 146 146 HIS HB3 H 1 3.139 0.005 . 2 . . 1616 . . 146 HIS HB3 . 17701 1 1799 . 1 1 146 146 HIS HD2 H 1 7.093 0.001 . 1 . . 1970 . . 146 HIS HD2 . 17701 1 1800 . 1 1 146 146 HIS HE1 H 1 8.243 0.0 . 1 . . 1968 . . 146 HIS HE1 . 17701 1 1801 . 1 1 146 146 HIS C C 13 179.389 0.05 . 1 . . 292 . . 146 HIS C . 17701 1 1802 . 1 1 146 146 HIS CA C 13 58.123 0.019 . 1 . . 296 . . 146 HIS CA . 17701 1 1803 . 1 1 146 146 HIS CB C 13 31.395 0.083 . 1 . . 298 . . 146 HIS CB . 17701 1 1804 . 1 1 146 146 HIS CD2 C 13 119.939 0.05 . 1 . . 1972 . . 146 HIS CD2 . 17701 1 1805 . 1 1 146 146 HIS CE1 C 13 137.076 0.05 . 1 . . 1965 . . 146 HIS CE1 . 17701 1 1806 . 1 1 146 146 HIS N N 15 115.984 0.04 . 1 . . 294 . . 146 HIS N . 17701 1 1807 . 1 1 146 146 HIS ND1 N 15 190.834 0.002 . 1 . . 1969 . . 146 HIS ND1 . 17701 1 1808 . 1 1 146 146 HIS NE2 N 15 178.327 0.021 . 1 . . 1971 . . 146 HIS NE2 . 17701 1 1809 . 1 1 147 147 ASN H H 1 9.286 0.004 . 1 . . 134 . . 147 ASN H . 17701 1 1810 . 1 1 147 147 ASN HA H 1 4.823 0.005 . 1 . . 1456 . . 147 ASN HA . 17701 1 1811 . 1 1 147 147 ASN HB2 H 1 2.720 0.003 . 2 . . 1454 . . 147 ASN HB2 . 17701 1 1812 . 1 1 147 147 ASN HB3 H 1 3.061 0.003 . 2 . . 1455 . . 147 ASN HB3 . 17701 1 1813 . 1 1 147 147 ASN HD21 H 1 7.993 0.003 . 1 . . 841 . . 147 ASN HD21 . 17701 1 1814 . 1 1 147 147 ASN HD22 H 1 7.374 0.007 . 1 . . 839 . . 147 ASN HD22 . 17701 1 1815 . 1 1 147 147 ASN C C 13 177.632 0.05 . 1 . . 291 . . 147 ASN C . 17701 1 1816 . 1 1 147 147 ASN CA C 13 56.280 0.036 . 1 . . 288 . . 147 ASN CA . 17701 1 1817 . 1 1 147 147 ASN CB C 13 38.143 0.042 . 1 . . 290 . . 147 ASN CB . 17701 1 1818 . 1 1 147 147 ASN N N 15 123.333 0.049 . 1 . . 135 . . 147 ASN N . 17701 1 1819 . 1 1 147 147 ASN ND2 N 15 116.238 0.019 . 1 . . 840 . . 147 ASN ND2 . 17701 1 1820 . 1 1 148 148 LYS H H 1 9.245 0.003 . 1 . . 285 . . 148 LYS H . 17701 1 1821 . 1 1 148 148 LYS HA H 1 4.019 0.005 . 1 . . 1488 . . 148 LYS HA . 17701 1 1822 . 1 1 148 148 LYS HB2 H 1 1.883 0.003 . 2 . . 1489 . . 148 LYS HB2 . 17701 1 1823 . 1 1 148 148 LYS HB3 H 1 1.775 0.003 . 2 . . 1490 . . 148 LYS HB3 . 17701 1 1824 . 1 1 148 148 LYS HG2 H 1 1.385 0.002 . 2 . . 1491 . . 148 LYS HG2 . 17701 1 1825 . 1 1 148 148 LYS HG3 H 1 1.550 0.003 . 2 . . 1493 . . 148 LYS HG3 . 17701 1 1826 . 1 1 148 148 LYS C C 13 178.115 0.05 . 1 . . 282 . . 148 LYS C . 17701 1 1827 . 1 1 148 148 LYS CA C 13 59.457 0.007 . 1 . . 287 . . 148 LYS CA . 17701 1 1828 . 1 1 148 148 LYS CB C 13 31.811 0.03 . 1 . . 289 . . 148 LYS CB . 17701 1 1829 . 1 1 148 148 LYS CG C 13 24.685 0.004 . 1 . . 1492 . . 148 LYS CG . 17701 1 1830 . 1 1 148 148 LYS N N 15 116.843 0.024 . 1 . . 286 . . 148 LYS N . 17701 1 1831 . 1 1 149 149 ASP H H 1 6.770 0.006 . 1 . . 280 . . 149 ASP H . 17701 1 1832 . 1 1 149 149 ASP HA H 1 4.460 0.004 . 1 . . 1432 . . 149 ASP HA . 17701 1 1833 . 1 1 149 149 ASP HB2 H 1 2.915 0.003 . 2 . . 1433 . . 149 ASP HB2 . 17701 1 1834 . 1 1 149 149 ASP HB3 H 1 2.375 0.005 . 2 . . 1434 . . 149 ASP HB3 . 17701 1 1835 . 1 1 149 149 ASP C C 13 176.581 0.05 . 1 . . 277 . . 149 ASP C . 17701 1 1836 . 1 1 149 149 ASP CA C 13 56.598 0.002 . 1 . . 284 . . 149 ASP CA . 17701 1 1837 . 1 1 149 149 ASP CB C 13 41.210 0.039 . 1 . . 283 . . 149 ASP CB . 17701 1 1838 . 1 1 149 149 ASP N N 15 120.090 0.029 . 1 . . 281 . . 149 ASP N . 17701 1 1839 . 1 1 150 150 VAL H H 1 8.289 0.004 . 1 . . 275 . . 150 VAL H . 17701 1 1840 . 1 1 150 150 VAL HA H 1 3.856 0.006 . 1 . . 1003 . . 150 VAL HA . 17701 1 1841 . 1 1 150 150 VAL HB H 1 2.001 0.003 . 1 . . 1004 . . 150 VAL HB . 17701 1 1842 . 1 1 150 150 VAL HG11 H 1 1.340 0.005 . 2 . . 1005 . . 150 VAL HG11 . 17701 1 1843 . 1 1 150 150 VAL HG12 H 1 1.340 0.005 . 2 . . 1005 . . 150 VAL HG12 . 17701 1 1844 . 1 1 150 150 VAL HG13 H 1 1.340 0.005 . 2 . . 1005 . . 150 VAL HG13 . 17701 1 1845 . 1 1 150 150 VAL HG21 H 1 0.685 0.005 . 2 . . 1007 . . 150 VAL HG21 . 17701 1 1846 . 1 1 150 150 VAL HG22 H 1 0.685 0.005 . 2 . . 1007 . . 150 VAL HG22 . 17701 1 1847 . 1 1 150 150 VAL HG23 H 1 0.685 0.005 . 2 . . 1007 . . 150 VAL HG23 . 17701 1 1848 . 1 1 150 150 VAL C C 13 176.504 0.05 . 1 . . 271 . . 150 VAL C . 17701 1 1849 . 1 1 150 150 VAL CA C 13 64.484 0.033 . 1 . . 278 . . 150 VAL CA . 17701 1 1850 . 1 1 150 150 VAL CB C 13 31.075 0.016 . 1 . . 279 . . 150 VAL CB . 17701 1 1851 . 1 1 150 150 VAL CG1 C 13 20.594 0.009 . 2 . . 1006 . . 150 VAL CG1 . 17701 1 1852 . 1 1 150 150 VAL CG2 C 13 23.045 0.007 . 2 . . 1008 . . 150 VAL CG2 . 17701 1 1853 . 1 1 150 150 VAL N N 15 120.655 0.019 . 1 . . 276 . . 150 VAL N . 17701 1 1854 . 1 1 151 151 ILE H H 1 7.915 0.004 . 1 . . 269 . . 151 ILE H . 17701 1 1855 . 1 1 151 151 ILE HA H 1 3.510 0.004 . 1 . . 1067 . . 151 ILE HA . 17701 1 1856 . 1 1 151 151 ILE HB H 1 1.764 0.004 . 1 . . 1068 . . 151 ILE HB . 17701 1 1857 . 1 1 151 151 ILE HG12 H 1 1.079 0.003 . 2 . . 1069 . . 151 ILE HG12 . 17701 1 1858 . 1 1 151 151 ILE HG13 H 1 1.932 0.004 . 2 . . 1071 . . 151 ILE HG13 . 17701 1 1859 . 1 1 151 151 ILE HG21 H 1 0.962 0.003 . 1 . . 1072 . . 151 ILE HG21 . 17701 1 1860 . 1 1 151 151 ILE HG22 H 1 0.962 0.003 . 1 . . 1072 . . 151 ILE HG22 . 17701 1 1861 . 1 1 151 151 ILE HG23 H 1 0.962 0.003 . 1 . . 1072 . . 151 ILE HG23 . 17701 1 1862 . 1 1 151 151 ILE HD11 H 1 0.875 0.003 . 1 . . 1074 . . 151 ILE HD11 . 17701 1 1863 . 1 1 151 151 ILE HD12 H 1 0.875 0.003 . 1 . . 1074 . . 151 ILE HD12 . 17701 1 1864 . 1 1 151 151 ILE HD13 H 1 0.875 0.003 . 1 . . 1074 . . 151 ILE HD13 . 17701 1 1865 . 1 1 151 151 ILE C C 13 178.470 0.05 . 1 . . 266 . . 151 ILE C . 17701 1 1866 . 1 1 151 151 ILE CA C 13 65.986 0.04 . 1 . . 272 . . 151 ILE CA . 17701 1 1867 . 1 1 151 151 ILE CB C 13 38.404 0.017 . 1 . . 273 . . 151 ILE CB . 17701 1 1868 . 1 1 151 151 ILE CG1 C 13 30.509 0.014 . 1 . . 1070 . . 151 ILE CG1 . 17701 1 1869 . 1 1 151 151 ILE CG2 C 13 17.182 0.019 . 1 . . 1073 . . 151 ILE CG2 . 17701 1 1870 . 1 1 151 151 ILE CD1 C 13 13.894 0.007 . 1 . . 1075 . . 151 ILE CD1 . 17701 1 1871 . 1 1 151 151 ILE N N 15 123.247 0.024 . 1 . . 270 . . 151 ILE N . 17701 1 1872 . 1 1 152 152 GLU H H 1 7.389 0.004 . 1 . . 75 . . 152 GLU H . 17701 1 1873 . 1 1 152 152 GLU HA H 1 3.915 0.004 . 1 . . 1425 . . 152 GLU HA . 17701 1 1874 . 1 1 152 152 GLU HB2 H 1 2.418 0.006 . 2 . . 1423 . . 152 GLU HB2 . 17701 1 1875 . 1 1 152 152 GLU HB3 H 1 2.158 0.003 . 2 . . 1424 . . 152 GLU HB3 . 17701 1 1876 . 1 1 152 152 GLU HG2 H 1 2.174 0.001 . 2 . . 1840 . . 152 GLU HG2 . 17701 1 1877 . 1 1 152 152 GLU HG3 H 1 2.051 0.001 . 2 . . 1842 . . 152 GLU HG3 . 17701 1 1878 . 1 1 152 152 GLU C C 13 179.169 0.05 . 1 . . 265 . . 152 GLU C . 17701 1 1879 . 1 1 152 152 GLU CA C 13 59.624 0.013 . 1 . . 267 . . 152 GLU CA . 17701 1 1880 . 1 1 152 152 GLU CB C 13 30.404 0.013 . 1 . . 268 . . 152 GLU CB . 17701 1 1881 . 1 1 152 152 GLU CG C 13 37.199 0.01 . 1 . . 1841 . . 152 GLU CG . 17701 1 1882 . 1 1 152 152 GLU N N 15 121.124 0.021 . 1 . . 76 . . 152 GLU N . 17701 1 1883 . 1 1 153 153 LEU H H 1 8.625 0.004 . 1 . . 263 . . 153 LEU H . 17701 1 1884 . 1 1 153 153 LEU HA H 1 3.739 0.004 . 1 . . 1177 . . 153 LEU HA . 17701 1 1885 . 1 1 153 153 LEU HB2 H 1 1.583 0.003 . 2 . . 1178 . . 153 LEU HB2 . 17701 1 1886 . 1 1 153 153 LEU HB3 H 1 1.185 0.005 . 2 . . 1179 . . 153 LEU HB3 . 17701 1 1887 . 1 1 153 153 LEU HG H 1 1.230 0.003 . 1 . . 1184 . . 153 LEU HG . 17701 1 1888 . 1 1 153 153 LEU HD11 H 1 0.586 0.003 . 2 . . 1180 . . 153 LEU HD11 . 17701 1 1889 . 1 1 153 153 LEU HD12 H 1 0.586 0.003 . 2 . . 1180 . . 153 LEU HD12 . 17701 1 1890 . 1 1 153 153 LEU HD13 H 1 0.586 0.003 . 2 . . 1180 . . 153 LEU HD13 . 17701 1 1891 . 1 1 153 153 LEU HD21 H 1 0.778 0.005 . 2 . . 1182 . . 153 LEU HD21 . 17701 1 1892 . 1 1 153 153 LEU HD22 H 1 0.778 0.005 . 2 . . 1182 . . 153 LEU HD22 . 17701 1 1893 . 1 1 153 153 LEU HD23 H 1 0.778 0.005 . 2 . . 1182 . . 153 LEU HD23 . 17701 1 1894 . 1 1 153 153 LEU C C 13 178.660 0.05 . 1 . . 258 . . 153 LEU C . 17701 1 1895 . 1 1 153 153 LEU CA C 13 58.632 0.018 . 1 . . 260 . . 153 LEU CA . 17701 1 1896 . 1 1 153 153 LEU CB C 13 42.422 0.023 . 1 . . 262 . . 153 LEU CB . 17701 1 1897 . 1 1 153 153 LEU CG C 13 26.622 0.004 . 1 . . 1185 . . 153 LEU CG . 17701 1 1898 . 1 1 153 153 LEU CD1 C 13 26.800 0.002 . 2 . . 1181 . . 153 LEU CD1 . 17701 1 1899 . 1 1 153 153 LEU CD2 C 13 24.911 0.014 . 2 . . 1183 . . 153 LEU CD2 . 17701 1 1900 . 1 1 153 153 LEU N N 15 121.069 0.02 . 1 . . 264 . . 153 LEU N . 17701 1 1901 . 1 1 154 154 ALA H H 1 8.487 0.002 . 1 . . 257 . . 154 ALA H . 17701 1 1902 . 1 1 154 154 ALA HA H 1 3.503 0.007 . 1 . . 905 . . 154 ALA HA . 17701 1 1903 . 1 1 154 154 ALA HB1 H 1 0.582 0.005 . 1 . . 906 . . 154 ALA HB1 . 17701 1 1904 . 1 1 154 154 ALA HB2 H 1 0.582 0.005 . 1 . . 906 . . 154 ALA HB2 . 17701 1 1905 . 1 1 154 154 ALA HB3 H 1 0.582 0.005 . 1 . . 906 . . 154 ALA HB3 . 17701 1 1906 . 1 1 154 154 ALA C C 13 177.845 0.05 . 1 . . 254 . . 154 ALA C . 17701 1 1907 . 1 1 154 154 ALA CA C 13 54.315 0.018 . 1 . . 259 . . 154 ALA CA . 17701 1 1908 . 1 1 154 154 ALA CB C 13 17.438 0.026 . 1 . . 261 . . 154 ALA CB . 17701 1 1909 . 1 1 154 154 ALA N N 15 118.915 0.028 . 1 . . 127 . . 154 ALA N . 17701 1 1910 . 1 1 155 155 SER H H 1 7.485 0.003 . 1 . . 98 . . 155 SER H . 17701 1 1911 . 1 1 155 155 SER HA H 1 4.160 0.005 . 1 . . 1327 . . 155 SER HA . 17701 1 1912 . 1 1 155 155 SER HB2 H 1 3.998 0.003 . 2 . . 1328 . . 155 SER HB2 . 17701 1 1913 . 1 1 155 155 SER HB3 H 1 3.976 0.003 . 2 . . 1329 . . 155 SER HB3 . 17701 1 1914 . 1 1 155 155 SER C C 13 174.071 0.05 . 1 . . 253 . . 155 SER C . 17701 1 1915 . 1 1 155 155 SER CA C 13 60.223 0.016 . 1 . . 255 . . 155 SER CA . 17701 1 1916 . 1 1 155 155 SER CB C 13 63.366 0.028 . 1 . . 256 . . 155 SER CB . 17701 1 1917 . 1 1 155 155 SER N N 15 110.388 0.039 . 1 . . 99 . . 155 SER N . 17701 1 1918 . 1 1 156 156 ILE H H 1 7.364 0.003 . 1 . . 77 . . 156 ILE H . 17701 1 1919 . 1 1 156 156 ILE HA H 1 3.857 0.003 . 1 . . 1061 . . 156 ILE HA . 17701 1 1920 . 1 1 156 156 ILE HB H 1 1.441 0.003 . 1 . . 1062 . . 156 ILE HB . 17701 1 1921 . 1 1 156 156 ILE HG12 H 1 0.775 0.002 . 2 . . 1761 . . 156 ILE HG12 . 17701 1 1922 . 1 1 156 156 ILE HG13 H 1 1.696 0.001 . 2 . . 1847 . . 156 ILE HG13 . 17701 1 1923 . 1 1 156 156 ILE HG21 H 1 0.385 0.003 . 1 . . 1063 . . 156 ILE HG21 . 17701 1 1924 . 1 1 156 156 ILE HG22 H 1 0.385 0.003 . 1 . . 1063 . . 156 ILE HG22 . 17701 1 1925 . 1 1 156 156 ILE HG23 H 1 0.385 0.003 . 1 . . 1063 . . 156 ILE HG23 . 17701 1 1926 . 1 1 156 156 ILE HD11 H 1 0.668 0.002 . 1 . . 1065 . . 156 ILE HD11 . 17701 1 1927 . 1 1 156 156 ILE HD12 H 1 0.668 0.002 . 1 . . 1065 . . 156 ILE HD12 . 17701 1 1928 . 1 1 156 156 ILE HD13 H 1 0.668 0.002 . 1 . . 1065 . . 156 ILE HD13 . 17701 1 1929 . 1 1 156 156 ILE C C 13 176.323 0.05 . 1 . . 248 . . 156 ILE C . 17701 1 1930 . 1 1 156 156 ILE CA C 13 63.312 0.049 . 1 . . 252 . . 156 ILE CA . 17701 1 1931 . 1 1 156 156 ILE CB C 13 40.639 0.017 . 1 . . 251 . . 156 ILE CB . 17701 1 1932 . 1 1 156 156 ILE CG1 C 13 27.948 0.008 . 1 . . 1848 . . 156 ILE CG1 . 17701 1 1933 . 1 1 156 156 ILE CG2 C 13 17.990 0.017 . 1 . . 1064 . . 156 ILE CG2 . 17701 1 1934 . 1 1 156 156 ILE CD1 C 13 13.992 0.018 . 1 . . 1066 . . 156 ILE CD1 . 17701 1 1935 . 1 1 156 156 ILE N N 15 121.408 0.025 . 1 . . 78 . . 156 ILE N . 17701 1 1936 . 1 1 157 157 VAL H H 1 7.463 0.004 . 1 . . 246 . . 157 VAL H . 17701 1 1937 . 1 1 157 157 VAL HA H 1 4.057 0.008 . 1 . . 998 . . 157 VAL HA . 17701 1 1938 . 1 1 157 157 VAL HB H 1 2.234 0.005 . 1 . . 997 . . 157 VAL HB . 17701 1 1939 . 1 1 157 157 VAL HG11 H 1 0.598 0.003 . 2 . . 1001 . . 157 VAL HG11 . 17701 1 1940 . 1 1 157 157 VAL HG12 H 1 0.598 0.003 . 2 . . 1001 . . 157 VAL HG12 . 17701 1 1941 . 1 1 157 157 VAL HG13 H 1 0.598 0.003 . 2 . . 1001 . . 157 VAL HG13 . 17701 1 1942 . 1 1 157 157 VAL HG21 H 1 0.658 0.002 . 2 . . 1173 . . 157 VAL HG21 . 17701 1 1943 . 1 1 157 157 VAL HG22 H 1 0.658 0.002 . 2 . . 1173 . . 157 VAL HG22 . 17701 1 1944 . 1 1 157 157 VAL HG23 H 1 0.658 0.002 . 2 . . 1173 . . 157 VAL HG23 . 17701 1 1945 . 1 1 157 157 VAL C C 13 174.281 0.05 . 1 . . 1730 . . 157 VAL C . 17701 1 1946 . 1 1 157 157 VAL CA C 13 58.190 0.07 . 1 . . 249 . . 157 VAL CA . 17701 1 1947 . 1 1 157 157 VAL CB C 13 31.081 0.025 . 1 . . 250 . . 157 VAL CB . 17701 1 1948 . 1 1 157 157 VAL CG1 C 13 23.926 0.01 . 2 . . 1002 . . 157 VAL CG1 . 17701 1 1949 . 1 1 157 157 VAL CG2 C 13 18.143 0.007 . 2 . . 1174 . . 157 VAL CG2 . 17701 1 1950 . 1 1 157 157 VAL N N 15 110.508 0.013 . 1 . . 247 . . 157 VAL N . 17701 1 1951 . 1 1 158 158 PRO HA H 1 4.713 0.004 . 1 . . 1355 . . 158 PRO HA . 17701 1 1952 . 1 1 158 158 PRO HB2 H 1 2.256 0.003 . 2 . . 1356 . . 158 PRO HB2 . 17701 1 1953 . 1 1 158 158 PRO HB3 H 1 2.185 0.003 . 2 . . 1357 . . 158 PRO HB3 . 17701 1 1954 . 1 1 158 158 PRO HG2 H 1 2.267 0.004 . 2 . . 1358 . . 158 PRO HG2 . 17701 1 1955 . 1 1 158 158 PRO HG3 H 1 1.885 0.004 . 2 . . 1360 . . 158 PRO HG3 . 17701 1 1956 . 1 1 158 158 PRO HD2 H 1 3.867 0.005 . 2 . . 1361 . . 158 PRO HD2 . 17701 1 1957 . 1 1 158 158 PRO HD3 H 1 3.682 0.003 . 2 . . 1363 . . 158 PRO HD3 . 17701 1 1958 . 1 1 158 158 PRO C C 13 178.288 0.05 . 1 . . 242 . . 158 PRO C . 17701 1 1959 . 1 1 158 158 PRO CA C 13 61.372 0.015 . 1 . . 243 . . 158 PRO CA . 17701 1 1960 . 1 1 158 158 PRO CB C 13 32.875 0.013 . 1 . . 244 . . 158 PRO CB . 17701 1 1961 . 1 1 158 158 PRO CG C 13 27.032 0.003 . 1 . . 1359 . . 158 PRO CG . 17701 1 1962 . 1 1 158 158 PRO CD C 13 50.420 0.006 . 1 . . 1362 . . 158 PRO CD . 17701 1 1963 . 1 1 159 159 ASN H H 1 9.113 0.002 . 1 . . 238 . . 159 ASN H . 17701 1 1964 . 1 1 159 159 ASN HA H 1 4.220 0.003 . 1 . . 1448 . . 159 ASN HA . 17701 1 1965 . 1 1 159 159 ASN HB2 H 1 2.722 0.004 . 2 . . 1449 . . 159 ASN HB2 . 17701 1 1966 . 1 1 159 159 ASN HB3 H 1 2.549 0.004 . 2 . . 1450 . . 159 ASN HB3 . 17701 1 1967 . 1 1 159 159 ASN HD21 H 1 7.735 0.004 . 1 . . 1451 . . 159 ASN HD21 . 17701 1 1968 . 1 1 159 159 ASN HD22 H 1 6.979 0.004 . 1 . . 1453 . . 159 ASN HD22 . 17701 1 1969 . 1 1 159 159 ASN C C 13 174.595 0.05 . 1 . . 245 . . 159 ASN C . 17701 1 1970 . 1 1 159 159 ASN CA C 13 54.609 0.011 . 1 . . 241 . . 159 ASN CA . 17701 1 1971 . 1 1 159 159 ASN CB C 13 36.333 0.013 . 1 . . 240 . . 159 ASN CB . 17701 1 1972 . 1 1 159 159 ASN N N 15 121.441 0.013 . 1 . . 239 . . 159 ASN N . 17701 1 1973 . 1 1 159 159 ASN ND2 N 15 112.128 0.002 . 1 . . 1452 . . 159 ASN ND2 . 17701 1 1974 . 1 1 160 160 GLY H H 1 9.814 0.002 . 1 . . 36 . . 160 GLY H . 17701 1 1975 . 1 1 160 160 GLY HA2 H 1 4.338 0.004 . 2 . . 1283 . . 160 GLY HA2 . 17701 1 1976 . 1 1 160 160 GLY HA3 H 1 3.397 0.007 . 2 . . 1284 . . 160 GLY HA3 . 17701 1 1977 . 1 1 160 160 GLY C C 13 172.219 0.05 . 1 . . 236 . . 160 GLY C . 17701 1 1978 . 1 1 160 160 GLY CA C 13 44.491 0.033 . 1 . . 237 . . 160 GLY CA . 17701 1 1979 . 1 1 160 160 GLY N N 15 111.469 0.029 . 1 . . 37 . . 160 GLY N . 17701 1 1980 . 1 1 161 161 THR H H 1 7.050 0.003 . 1 . . 111 . . 161 THR H . 17701 1 1981 . 1 1 161 161 THR HA H 1 4.022 0.006 . 1 . . 953 . . 161 THR HA . 17701 1 1982 . 1 1 161 161 THR HB H 1 3.735 0.006 . 1 . . 954 . . 161 THR HB . 17701 1 1983 . 1 1 161 161 THR HG21 H 1 1.168 0.008 . 1 . . 943 . . 161 THR HG21 . 17701 1 1984 . 1 1 161 161 THR HG22 H 1 1.168 0.008 . 1 . . 943 . . 161 THR HG22 . 17701 1 1985 . 1 1 161 161 THR HG23 H 1 1.168 0.008 . 1 . . 943 . . 161 THR HG23 . 17701 1 1986 . 1 1 161 161 THR C C 13 174.028 0.05 . 1 . . 231 . . 161 THR C . 17701 1 1987 . 1 1 161 161 THR CA C 13 65.694 0.032 . 1 . . 235 . . 161 THR CA . 17701 1 1988 . 1 1 161 161 THR CB C 13 70.069 0.034 . 1 . . 234 . . 161 THR CB . 17701 1 1989 . 1 1 161 161 THR CG2 C 13 21.097 0.002 . 1 . . 944 . . 161 THR CG2 . 17701 1 1990 . 1 1 161 161 THR N N 15 113.954 0.015 . 1 . . 112 . . 161 THR N . 17701 1 1991 . 1 1 162 162 ARG H H 1 8.822 0.003 . 1 . . 229 . . 162 ARG H . 17701 1 1992 . 1 1 162 162 ARG HA H 1 4.551 0.004 . 1 . . 1487 . . 162 ARG HA . 17701 1 1993 . 1 1 162 162 ARG HB2 H 1 1.958 0.003 . 2 . . 1709 . . 162 ARG HB2 . 17701 1 1994 . 1 1 162 162 ARG HB3 H 1 1.819 0.005 . 2 . . 1710 . . 162 ARG HB3 . 17701 1 1995 . 1 1 162 162 ARG HG3 H 1 1.702 0.003 . 1 . . 1778 . . 162 ARG HG3 . 17701 1 1996 . 1 1 162 162 ARG HD2 H 1 2.839 0.002 . 2 . . 1776 . . 162 ARG HD2 . 17701 1 1997 . 1 1 162 162 ARG HD3 H 1 3.161 0.004 . 2 . . 1777 . . 162 ARG HD3 . 17701 1 1998 . 1 1 162 162 ARG HE H 1 7.501 0.003 . 1 . . 1771 . . 162 ARG HE . 17701 1 1999 . 1 1 162 162 ARG C C 13 174.083 0.05 . 1 . . 643 . . 162 ARG C . 17701 1 2000 . 1 1 162 162 ARG CA C 13 57.219 0.014 . 1 . . 232 . . 162 ARG CA . 17701 1 2001 . 1 1 162 162 ARG CB C 13 33.114 0.012 . 1 . . 233 . . 162 ARG CB . 17701 1 2002 . 1 1 162 162 ARG CG C 13 28.159 0.003 . 1 . . 1772 . . 162 ARG CG . 17701 1 2003 . 1 1 162 162 ARG CD C 13 43.706 0.013 . 1 . . 1774 . . 162 ARG CD . 17701 1 2004 . 1 1 162 162 ARG N N 15 126.944 0.017 . 1 . . 230 . . 162 ARG N . 17701 1 2005 . 1 1 163 163 VAL H H 1 8.970 0.006 . 1 . . 641 . . 163 VAL H . 17701 1 2006 . 1 1 163 163 VAL HA H 1 4.823 0.007 . 1 . . 996 . . 163 VAL HA . 17701 1 2007 . 1 1 163 163 VAL HB H 1 1.658 0.006 . 1 . . 991 . . 163 VAL HB . 17701 1 2008 . 1 1 163 163 VAL HG11 H 1 0.579 0.003 . 2 . . 992 . . 163 VAL HG11 . 17701 1 2009 . 1 1 163 163 VAL HG12 H 1 0.579 0.003 . 2 . . 992 . . 163 VAL HG12 . 17701 1 2010 . 1 1 163 163 VAL HG13 H 1 0.579 0.003 . 2 . . 992 . . 163 VAL HG13 . 17701 1 2011 . 1 1 163 163 VAL HG21 H 1 0.751 0.002 . 2 . . 994 . . 163 VAL HG21 . 17701 1 2012 . 1 1 163 163 VAL HG22 H 1 0.751 0.002 . 2 . . 994 . . 163 VAL HG22 . 17701 1 2013 . 1 1 163 163 VAL HG23 H 1 0.751 0.002 . 2 . . 994 . . 163 VAL HG23 . 17701 1 2014 . 1 1 163 163 VAL C C 13 174.948 0.05 . 1 . . 821 . . 163 VAL C . 17701 1 2015 . 1 1 163 163 VAL CA C 13 60.180 0.028 . 1 . . 665 . . 163 VAL CA . 17701 1 2016 . 1 1 163 163 VAL CB C 13 34.571 0.022 . 1 . . 666 . . 163 VAL CB . 17701 1 2017 . 1 1 163 163 VAL CG1 C 13 20.384 0.007 . 2 . . 993 . . 163 VAL CG1 . 17701 1 2018 . 1 1 163 163 VAL CG2 C 13 21.018 0.016 . 2 . . 995 . . 163 VAL CG2 . 17701 1 2019 . 1 1 163 163 VAL N N 15 124.912 0.061 . 1 . . 642 . . 163 VAL N . 17701 1 2020 . 1 1 164 164 THR H H 1 9.279 0.008 . 1 . . 819 . . 164 THR H . 17701 1 2021 . 1 1 164 164 THR HA H 1 5.020 0.003 . 1 . . 936 . . 164 THR HA . 17701 1 2022 . 1 1 164 164 THR HB H 1 4.093 0.007 . 1 . . 935 . . 164 THR HB . 17701 1 2023 . 1 1 164 164 THR HG21 H 1 1.291 0.006 . 1 . . 939 . . 164 THR HG21 . 17701 1 2024 . 1 1 164 164 THR HG22 H 1 1.291 0.006 . 1 . . 939 . . 164 THR HG22 . 17701 1 2025 . 1 1 164 164 THR HG23 H 1 1.291 0.006 . 1 . . 939 . . 164 THR HG23 . 17701 1 2026 . 1 1 164 164 THR C C 13 174.012 0.05 . 1 . . 224 . . 164 THR C . 17701 1 2027 . 1 1 164 164 THR CA C 13 61.588 0.014 . 1 . . 228 . . 164 THR CA . 17701 1 2028 . 1 1 164 164 THR CB C 13 70.403 0.029 . 1 . . 227 . . 164 THR CB . 17701 1 2029 . 1 1 164 164 THR CG2 C 13 22.485 0.002 . 1 . . 940 . . 164 THR CG2 . 17701 1 2030 . 1 1 164 164 THR N N 15 123.214 0.033 . 1 . . 820 . . 164 THR N . 17701 1 2031 . 1 1 165 165 ILE H H 1 9.110 0.002 . 1 . . 54 . . 165 ILE H . 17701 1 2032 . 1 1 165 165 ILE HA H 1 4.569 0.002 . 1 . . 1053 . . 165 ILE HA . 17701 1 2033 . 1 1 165 165 ILE HB H 1 1.959 0.005 . 1 . . 1054 . . 165 ILE HB . 17701 1 2034 . 1 1 165 165 ILE HG12 H 1 1.586 0.006 . 2 . . 1760 . . 165 ILE HG12 . 17701 1 2035 . 1 1 165 165 ILE HG13 H 1 1.314 0.017 . 2 . . 1759 . . 165 ILE HG13 . 17701 1 2036 . 1 1 165 165 ILE HG21 H 1 0.807 0.002 . 1 . . 1059 . . 165 ILE HG21 . 17701 1 2037 . 1 1 165 165 ILE HG22 H 1 0.807 0.002 . 1 . . 1059 . . 165 ILE HG22 . 17701 1 2038 . 1 1 165 165 ILE HG23 H 1 0.807 0.002 . 1 . . 1059 . . 165 ILE HG23 . 17701 1 2039 . 1 1 165 165 ILE HD11 H 1 0.491 0.003 . 1 . . 1057 . . 165 ILE HD11 . 17701 1 2040 . 1 1 165 165 ILE HD12 H 1 0.491 0.003 . 1 . . 1057 . . 165 ILE HD12 . 17701 1 2041 . 1 1 165 165 ILE HD13 H 1 0.491 0.003 . 1 . . 1057 . . 165 ILE HD13 . 17701 1 2042 . 1 1 165 165 ILE C C 13 174.037 0.05 . 1 . . 223 . . 165 ILE C . 17701 1 2043 . 1 1 165 165 ILE CA C 13 60.623 0.016 . 1 . . 225 . . 165 ILE CA . 17701 1 2044 . 1 1 165 165 ILE CB C 13 38.276 0.023 . 1 . . 226 . . 165 ILE CB . 17701 1 2045 . 1 1 165 165 ILE CG2 C 13 17.709 0.011 . 1 . . 1060 . . 165 ILE CG2 . 17701 1 2046 . 1 1 165 165 ILE CD1 C 13 12.181 0.059 . 1 . . 1058 . . 165 ILE CD1 . 17701 1 2047 . 1 1 165 165 ILE N N 15 126.532 0.028 . 1 . . 210 . . 165 ILE N . 17701 1 2048 . 1 1 166 166 ASN H H 1 8.998 0.003 . 1 . . 176 . . 166 ASN H . 17701 1 2049 . 1 1 166 166 ASN HA H 1 5.228 0.007 . 1 . . 1444 . . 166 ASN HA . 17701 1 2050 . 1 1 166 166 ASN HB2 H 1 2.884 0.002 . 2 . . 1445 . . 166 ASN HB2 . 17701 1 2051 . 1 1 166 166 ASN HB3 H 1 2.843 0.004 . 2 . . 1446 . . 166 ASN HB3 . 17701 1 2052 . 1 1 166 166 ASN HD21 H 1 7.501 0.002 . 1 . . 1447 . . 166 ASN HD21 . 17701 1 2053 . 1 1 166 166 ASN HD22 H 1 6.992 0.001 . 1 . . 837 . . 166 ASN HD22 . 17701 1 2054 . 1 1 166 166 ASN C C 13 174.701 0.05 . 1 . . 220 . . 166 ASN C . 17701 1 2055 . 1 1 166 166 ASN CA C 13 52.295 0.016 . 1 . . 221 . . 166 ASN CA . 17701 1 2056 . 1 1 166 166 ASN CB C 13 41.664 0.025 . 1 . . 222 . . 166 ASN CB . 17701 1 2057 . 1 1 166 166 ASN N N 15 124.640 0.022 . 1 . . 177 . . 166 ASN N . 17701 1 2058 . 1 1 166 166 ASN ND2 N 15 113.525 0.009 . 1 . . 838 . . 166 ASN ND2 . 17701 1 2059 . 1 1 167 167 ARG H H 1 8.835 0.003 . 1 . . 178 . . 167 ARG H . 17701 1 2060 . 1 1 167 167 ARG HA H 1 4.247 0.002 . 1 . . 1484 . . 167 ARG HA . 17701 1 2061 . 1 1 167 167 ARG HB2 H 1 1.946 0.002 . 2 . . 1485 . . 167 ARG HB2 . 17701 1 2062 . 1 1 167 167 ARG HB3 H 1 1.879 0.003 . 2 . . 1486 . . 167 ARG HB3 . 17701 1 2063 . 1 1 167 167 ARG HG2 H 1 1.736 0.003 . 2 . . 1706 . . 167 ARG HG2 . 17701 1 2064 . 1 1 167 167 ARG HG3 H 1 1.693 0.001 . 2 . . 1704 . . 167 ARG HG3 . 17701 1 2065 . 1 1 167 167 ARG HD3 H 1 3.229 0.001 . 1 . . 1707 . . 167 ARG HD3 . 17701 1 2066 . 1 1 167 167 ARG C C 13 177.543 0.05 . 1 . . 217 . . 167 ARG C . 17701 1 2067 . 1 1 167 167 ARG CA C 13 58.109 0.009 . 1 . . 219 . . 167 ARG CA . 17701 1 2068 . 1 1 167 167 ARG CB C 13 30.829 0.022 . 1 . . 218 . . 167 ARG CB . 17701 1 2069 . 1 1 167 167 ARG CG C 13 27.537 0.003 . 1 . . 1705 . . 167 ARG CG . 17701 1 2070 . 1 1 167 167 ARG CD C 13 43.525 0.0 . 1 . . 1708 . . 167 ARG CD . 17701 1 2071 . 1 1 167 167 ARG N N 15 122.598 0.06 . 1 . . 179 . . 167 ARG N . 17701 1 2072 . 1 1 168 168 GLY H H 1 8.542 0.007 . 1 . . 215 . . 168 GLY H . 17701 1 2073 . 1 1 168 168 GLY HA3 H 1 4.013 0.005 . 1 . . 1312 . . 168 GLY HA3 . 17701 1 2074 . 1 1 168 168 GLY C C 13 173.805 0.05 . 1 . . 609 . . 168 GLY C . 17701 1 2075 . 1 1 168 168 GLY CA C 13 45.223 0.006 . 1 . . 612 . . 168 GLY CA . 17701 1 2076 . 1 1 168 168 GLY N N 15 108.483 0.06 . 1 . . 216 . . 168 GLY N . 17701 1 2077 . 1 1 169 169 SER H H 1 8.296 0.006 . 1 . . 194 . . 169 SER H . 17701 1 2078 . 1 1 169 169 SER HA H 1 4.808 0.001 . 1 . . 1742 . . 169 SER HA . 17701 1 2079 . 1 1 169 169 SER CA C 13 58.133 0.018 . 1 . . 610 . . 169 SER CA . 17701 1 2080 . 1 1 169 169 SER CB C 13 63.881 0.05 . 1 . . 611 . . 169 SER CB . 17701 1 2081 . 1 1 169 169 SER N N 15 115.546 0.051 . 1 . . 195 . . 169 SER N . 17701 1 2082 . 1 1 170 170 HIS C C 13 173.981 0.05 . 1 . . 901 . . 170 HIS C . 17701 1 2083 . 1 1 170 170 HIS CA C 13 55.850 0.05 . 1 . . 903 . . 170 HIS CA . 17701 1 2084 . 1 1 171 171 HIS H H 1 8.084 0.095 . 1 . . 165 . . 171 HIS H . 17701 1 2085 . 1 1 171 171 HIS C C 13 174.055 0.05 . 1 . . 1052 . . 171 HIS C . 17701 1 2086 . 1 1 171 171 HIS CA C 13 57.293 0.05 . 1 . . 902 . . 171 HIS CA . 17701 1 2087 . 1 1 171 171 HIS CB C 13 30.293 0.05 . 1 . . 904 . . 171 HIS CB . 17701 1 2088 . 1 1 171 171 HIS N N 15 125.398 0.045 . 1 . . 166 . . 171 HIS N . 17701 1 2089 . 1 1 172 172 HIS H H 1 7.958 0.006 . 1 . . 844 . . 172 HIS H . 17701 1 2090 . 1 1 172 172 HIS N N 15 125.204 0.004 . 1 . . 845 . . 172 HIS N . 17701 1 stop_ save_