################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26802 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CspA_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' 1 $CspA isotropic 26802 1 2 '2D 1H-13C HSQC/HMQC' 1 $CspA isotropic 26802 1 3 'hbcbcgcdhd (hbCBcgcdHD)' 1 $CspA isotropic 26802 1 4 'hbcbcgcdcehe (hbCBcgcdceHE)' 1 $CspA isotropic 26802 1 5 '3D 1H-13C NOESY' 1 $CspA isotropic 26802 1 6 '3D HNCO' 1 $CspA isotropic 26802 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis 1 $manual 26802 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 ALA HA H 1 3.943 0.002 . 1 . . 661 . . 2 ALA HA . 26802 1 2 . 1 . 1 2 2 ALA HB1 H 1 0.837 0.002 . 1 . . 662 . . 2 ALA HB1 . 26802 1 3 . 1 . 1 2 2 ALA HB2 H 1 0.837 0.002 . 1 . . 662 . . 2 ALA HB2 . 26802 1 4 . 1 . 1 2 2 ALA HB3 H 1 0.837 0.002 . 1 . . 662 . . 2 ALA HB3 . 26802 1 5 . 1 . 1 2 2 ALA C C 13 172.386 0.002 . 1 . . 444 . . 2 ALA C . 26802 1 6 . 1 . 1 2 2 ALA CA C 13 51.580 0.002 . 1 . . 192 . . 2 ALA CA . 26802 1 7 . 1 . 1 2 2 ALA CB C 13 19.183 0.002 . 1 . . 355 . . 2 ALA CB . 26802 1 8 . 1 . 1 3 3 GLN H H 1 8.406 0.002 . 1 . . 87 . . 3 GLN H . 26802 1 9 . 1 . 1 3 3 GLN HA H 1 5.462 0.002 . 1 . . 709 . . 3 GLN HA . 26802 1 10 . 1 . 1 3 3 GLN HB2 H 1 2.114 0.002 . 2 . . 757 . . 3 GLN HB2 . 26802 1 11 . 1 . 1 3 3 GLN HB3 H 1 2.007 0.002 . 2 . . 758 . . 3 GLN HB3 . 26802 1 12 . 1 . 1 3 3 GLN HG2 H 1 2.327 0.002 . 2 . . 710 . . 3 GLN HG2 . 26802 1 13 . 1 . 1 3 3 GLN HG3 H 1 2.418 0.002 . 2 . . 711 . . 3 GLN HG3 . 26802 1 14 . 1 . 1 3 3 GLN HE21 H 1 7.721 0.002 . 1 . . 827 . . 3 GLN HE21 . 26802 1 15 . 1 . 1 3 3 GLN HE22 H 1 6.743 0.002 . 1 . . 829 . . 3 GLN HE22 . 26802 1 16 . 1 . 1 3 3 GLN C C 13 176.232 0.002 . 1 . . 463 . . 3 GLN C . 26802 1 17 . 1 . 1 3 3 GLN CA C 13 54.250 0.002 . 1 . . 191 . . 3 GLN CA . 26802 1 18 . 1 . 1 3 3 GLN CB C 13 31.870 0.002 . 1 . . 756 . . 3 GLN CB . 26802 1 19 . 1 . 1 3 3 GLN CG C 13 34.460 0.002 . 1 . . 388 . . 3 GLN CG . 26802 1 20 . 1 . 1 3 3 GLN CD C 13 180.086 0.002 . 1 . . 933 . . 3 GLN CD . 26802 1 21 . 1 . 1 3 3 GLN N N 15 116.430 0.010 . 1 . . 88 . . 3 GLN N . 26802 1 22 . 1 . 1 3 3 GLN NE2 N 15 111.554 0.010 . 1 . . 828 . . 3 GLN NE2 . 26802 1 23 . 1 . 1 4 4 GLY H H 1 8.811 0.002 . 1 . . 179 . . 4 GLY H . 26802 1 24 . 1 . 1 4 4 GLY HA2 H 1 4.737 0.002 . 2 . . 666 . . 4 GLY HA2 . 26802 1 25 . 1 . 1 4 4 GLY HA3 H 1 3.919 0.002 . 2 . . 667 . . 4 GLY HA3 . 26802 1 26 . 1 . 1 4 4 GLY C C 13 171.288 0.002 . 1 . . 449 . . 4 GLY C . 26802 1 27 . 1 . 1 4 4 GLY CA C 13 46.345 0.002 . 1 . . 190 . . 4 GLY CA . 26802 1 28 . 1 . 1 4 4 GLY N N 15 108.203 0.010 . 1 . . 180 . . 4 GLY N . 26802 1 29 . 1 . 1 5 5 THR H H 1 8.337 0.002 . 1 . . 45 . . 5 THR H . 26802 1 30 . 1 . 1 5 5 THR HA H 1 5.131 0.002 . 1 . . 497 . . 5 THR HA . 26802 1 31 . 1 . 1 5 5 THR HB H 1 3.854 0.002 . 1 . . 498 . . 5 THR HB . 26802 1 32 . 1 . 1 5 5 THR HG21 H 1 1.135 0.002 . 1 . . 500 . . 5 THR HG21 . 26802 1 33 . 1 . 1 5 5 THR HG22 H 1 1.135 0.002 . 1 . . 500 . . 5 THR HG22 . 26802 1 34 . 1 . 1 5 5 THR HG23 H 1 1.135 0.002 . 1 . . 500 . . 5 THR HG23 . 26802 1 35 . 1 . 1 5 5 THR C C 13 174.238 0.002 . 1 . . 400 . . 5 THR C . 26802 1 36 . 1 . 1 5 5 THR CA C 13 60.764 0.002 . 1 . . 189 . . 5 THR CA . 26802 1 37 . 1 . 1 5 5 THR CB C 13 71.542 0.002 . 1 . . 307 . . 5 THR CB . 26802 1 38 . 1 . 1 5 5 THR CG2 C 13 21.873 0.002 . 1 . . 308 . . 5 THR CG2 . 26802 1 39 . 1 . 1 5 5 THR N N 15 115.625 0.010 . 1 . . 46 . . 5 THR N . 26802 1 40 . 1 . 1 6 6 VAL H H 1 9.135 0.002 . 1 . . 63 . . 6 VAL H . 26802 1 41 . 1 . 1 6 6 VAL HA H 1 3.564 0.002 . 1 . . 470 . . 6 VAL HA . 26802 1 42 . 1 . 1 6 6 VAL HB H 1 2.418 0.002 . 1 . . 471 . . 6 VAL HB . 26802 1 43 . 1 . 1 6 6 VAL HG11 H 1 0.831 0.002 . 2 . . 472 . . 6 VAL HG11 . 26802 1 44 . 1 . 1 6 6 VAL HG12 H 1 0.831 0.002 . 2 . . 472 . . 6 VAL HG12 . 26802 1 45 . 1 . 1 6 6 VAL HG13 H 1 0.831 0.002 . 2 . . 472 . . 6 VAL HG13 . 26802 1 46 . 1 . 1 6 6 VAL HG21 H 1 0.494 0.002 . 2 . . 473 . . 6 VAL HG21 . 26802 1 47 . 1 . 1 6 6 VAL HG22 H 1 0.494 0.002 . 2 . . 473 . . 6 VAL HG22 . 26802 1 48 . 1 . 1 6 6 VAL HG23 H 1 0.494 0.002 . 2 . . 473 . . 6 VAL HG23 . 26802 1 49 . 1 . 1 6 6 VAL C C 13 175.366 0.002 . 1 . . 393 . . 6 VAL C . 26802 1 50 . 1 . 1 6 6 VAL CA C 13 64.738 0.002 . 1 . . 188 . . 6 VAL CA . 26802 1 51 . 1 . 1 6 6 VAL CB C 13 31.650 0.002 . 1 . . 291 . . 6 VAL CB . 26802 1 52 . 1 . 1 6 6 VAL CG1 C 13 23.968 0.002 . 2 . . 292 . . 6 VAL CG1 . 26802 1 53 . 1 . 1 6 6 VAL CG2 C 13 21.176 0.002 . 2 . . 293 . . 6 VAL CG2 . 26802 1 54 . 1 . 1 6 6 VAL N N 15 127.207 0.010 . 1 . . 64 . . 6 VAL N . 26802 1 55 . 1 . 1 7 7 LYS H H 1 9.063 0.002 . 1 . . 89 . . 7 LYS H . 26802 1 56 . 1 . 1 7 7 LYS HA H 1 4.384 0.002 . 1 . . 696 . . 7 LYS HA . 26802 1 57 . 1 . 1 7 7 LYS HB2 H 1 1.614 0.002 . 2 . . 760 . . 7 LYS HB2 . 26802 1 58 . 1 . 1 7 7 LYS HB3 H 1 1.872 0.002 . 2 . . 761 . . 7 LYS HB3 . 26802 1 59 . 1 . 1 7 7 LYS HG2 H 1 1.614 0.002 . 2 . . 939 . . 7 LYS HG2 . 26802 1 60 . 1 . 1 7 7 LYS HG3 H 1 1.529 0.002 . 2 . . 940 . . 7 LYS HG3 . 26802 1 61 . 1 . 1 7 7 LYS HD2 H 1 1.746 0.002 . 2 . . 942 . . 7 LYS HD2 . 26802 1 62 . 1 . 1 7 7 LYS HD3 H 1 1.615 0.002 . 2 . . 943 . . 7 LYS HD3 . 26802 1 63 . 1 . 1 7 7 LYS HE2 H 1 3.038 0.002 . 1 . . 697 . . 7 LYS HE2 . 26802 1 64 . 1 . 1 7 7 LYS HE3 H 1 3.038 0.002 . 1 . . 698 . . 7 LYS HE3 . 26802 1 65 . 1 . 1 7 7 LYS C C 13 176.418 0.002 . 1 . . 456 . . 7 LYS C . 26802 1 66 . 1 . 1 7 7 LYS CA C 13 58.115 0.002 . 1 . . 261 . . 7 LYS CA . 26802 1 67 . 1 . 1 7 7 LYS CB C 13 33.889 0.002 . 1 . . 370 . . 7 LYS CB . 26802 1 68 . 1 . 1 7 7 LYS CG C 13 24.846 0.002 . 1 . . 372 . . 7 LYS CG . 26802 1 69 . 1 . 1 7 7 LYS CD C 13 28.845 0.002 . 1 . . 371 . . 7 LYS CD . 26802 1 70 . 1 . 1 7 7 LYS CE C 13 41.446 0.002 . 1 . . 369 . . 7 LYS CE . 26802 1 71 . 1 . 1 7 7 LYS N N 15 133.709 0.010 . 1 . . 90 . . 7 LYS N . 26802 1 72 . 1 . 1 8 8 TRP H H 1 7.377 0.002 . 1 . . 131 . . 8 TRP H . 26802 1 73 . 1 . 1 8 8 TRP HA H 1 4.604 0.002 . 1 . . 587 . . 8 TRP HA . 26802 1 74 . 1 . 1 8 8 TRP HB2 H 1 3.533 0.002 . 2 . . 588 . . 8 TRP HB2 . 26802 1 75 . 1 . 1 8 8 TRP HB3 H 1 3.359 0.002 . 2 . . 589 . . 8 TRP HB3 . 26802 1 76 . 1 . 1 8 8 TRP HD1 H 1 7.142 0.002 . 1 . . 787 . . 8 TRP HD1 . 26802 1 77 . 1 . 1 8 8 TRP HE1 H 1 10.351 0.002 . 1 . . 285 . . 8 TRP HE1 . 26802 1 78 . 1 . 1 8 8 TRP HE3 H 1 7.325 0.002 . 1 . . 898 . . 8 TRP HE3 . 26802 1 79 . 1 . 1 8 8 TRP HZ2 H 1 7.652 0.002 . 1 . . 790 . . 8 TRP HZ2 . 26802 1 80 . 1 . 1 8 8 TRP HZ3 H 1 6.746 0.002 . 1 . . 896 . . 8 TRP HZ3 . 26802 1 81 . 1 . 1 8 8 TRP HH2 H 1 7.333 0.002 . 1 . . 893 . . 8 TRP HH2 . 26802 1 82 . 1 . 1 8 8 TRP C C 13 173.549 0.002 . 1 . . 425 . . 8 TRP C . 26802 1 83 . 1 . 1 8 8 TRP CA C 13 56.117 0.002 . 1 . . 262 . . 8 TRP CA . 26802 1 84 . 1 . 1 8 8 TRP CB C 13 30.789 0.002 . 1 . . 331 . . 8 TRP CB . 26802 1 85 . 1 . 1 8 8 TRP CD1 C 13 128.217 0.002 . 1 . . 788 . . 8 TRP CD1 . 26802 1 86 . 1 . 1 8 8 TRP CE3 C 13 120.234 0.002 . 1 . . 897 . . 8 TRP CE3 . 26802 1 87 . 1 . 1 8 8 TRP CZ2 C 13 115.303 0.002 . 1 . . 789 . . 8 TRP CZ2 . 26802 1 88 . 1 . 1 8 8 TRP CZ3 C 13 122.373 0.002 . 1 . . 895 . . 8 TRP CZ3 . 26802 1 89 . 1 . 1 8 8 TRP CH2 C 13 123.974 0.002 . 1 . . 892 . . 8 TRP CH2 . 26802 1 90 . 1 . 1 8 8 TRP N N 15 112.071 0.010 . 1 . . 132 . . 8 TRP N . 26802 1 91 . 1 . 1 8 8 TRP NE1 N 15 129.934 0.010 . 1 . . 286 . . 8 TRP NE1 . 26802 1 92 . 1 . 1 9 9 PHE H H 1 9.098 0.002 . 1 . . 129 . . 9 PHE H . 26802 1 93 . 1 . 1 9 9 PHE HA H 1 4.228 0.002 . 1 . . 501 . . 9 PHE HA . 26802 1 94 . 1 . 1 9 9 PHE HB2 H 1 2.779 0.002 . 2 . . 502 . . 9 PHE HB2 . 26802 1 95 . 1 . 1 9 9 PHE HB3 H 1 2.383 0.002 . 2 . . 503 . . 9 PHE HB3 . 26802 1 96 . 1 . 1 9 9 PHE HD1 H 1 6.710 0.002 . 1 . . 809 . . 9 PHE HD1 . 26802 1 97 . 1 . 1 9 9 PHE HD2 H 1 6.710 0.002 . 1 . . 809 . . 9 PHE HD2 . 26802 1 98 . 1 . 1 9 9 PHE HE1 H 1 6.956 0.002 . 1 . . 808 . . 9 PHE HE1 . 26802 1 99 . 1 . 1 9 9 PHE HE2 H 1 6.956 0.002 . 1 . . 808 . . 9 PHE HE2 . 26802 1 100 . 1 . 1 9 9 PHE HZ H 1 6.725 0.002 . 1 . . 919 . . 9 PHE HZ . 26802 1 101 . 1 . 1 9 9 PHE C C 13 172.417 0.002 . 1 . . 401 . . 9 PHE C . 26802 1 102 . 1 . 1 9 9 PHE CA C 13 59.323 0.002 . 1 . . 263 . . 9 PHE CA . 26802 1 103 . 1 . 1 9 9 PHE CB C 13 42.286 0.002 . 1 . . 306 . . 9 PHE CB . 26802 1 104 . 1 . 1 9 9 PHE CD1 C 13 131.783 0.002 . 1 . . 910 . . 9 PHE CD1 . 26802 1 105 . 1 . 1 9 9 PHE CD2 C 13 131.783 0.002 . 1 . . 910 . . 9 PHE CD2 . 26802 1 106 . 1 . 1 9 9 PHE CE1 C 13 130.627 0.002 . 1 . . 915 . . 9 PHE CE1 . 26802 1 107 . 1 . 1 9 9 PHE CE2 C 13 130.627 0.002 . 1 . . 915 . . 9 PHE CE2 . 26802 1 108 . 1 . 1 9 9 PHE CZ C 13 128.680 0.002 . 1 . . 918 . . 9 PHE CZ . 26802 1 109 . 1 . 1 9 9 PHE N N 15 120.836 0.010 . 1 . . 130 . . 9 PHE N . 26802 1 110 . 1 . 1 10 10 ASN H H 1 8.200 0.002 . 1 . . 101 . . 10 ASN H . 26802 1 111 . 1 . 1 10 10 ASN HA H 1 4.772 0.002 . 1 . . 479 . . 10 ASN HA . 26802 1 112 . 1 . 1 10 10 ASN HB2 H 1 2.460 0.002 . 2 . . 480 . . 10 ASN HB2 . 26802 1 113 . 1 . 1 10 10 ASN HB3 H 1 2.514 0.002 . 2 . . 481 . . 10 ASN HB3 . 26802 1 114 . 1 . 1 10 10 ASN HD21 H 1 7.242 0.002 . 1 . . 837 . . 10 ASN HD21 . 26802 1 115 . 1 . 1 10 10 ASN HD22 H 1 7.527 0.002 . 1 . . 839 . . 10 ASN HD22 . 26802 1 116 . 1 . 1 10 10 ASN C C 13 174.121 0.002 . 1 . . 397 . . 10 ASN C . 26802 1 117 . 1 . 1 10 10 ASN CA C 13 51.606 0.002 . 1 . . 264 . . 10 ASN CA . 26802 1 118 . 1 . 1 10 10 ASN CB C 13 39.062 0.002 . 1 . . 301 . . 10 ASN CB . 26802 1 119 . 1 . 1 10 10 ASN CG C 13 176.467 0.002 . 1 . . 929 . . 10 ASN CG . 26802 1 120 . 1 . 1 10 10 ASN N N 15 127.232 0.010 . 1 . . 102 . . 10 ASN N . 26802 1 121 . 1 . 1 10 10 ASN ND2 N 15 112.946 0.010 . 1 . . 838 . . 10 ASN ND2 . 26802 1 122 . 1 . 1 11 11 ALA H H 1 8.976 0.002 . 1 . . 123 . . 11 ALA H . 26802 1 123 . 1 . 1 11 11 ALA HA H 1 4.035 0.002 . 1 . . 469 . . 11 ALA HA . 26802 1 124 . 1 . 1 11 11 ALA HB1 H 1 1.584 0.002 . 1 . . 643 . . 11 ALA HB1 . 26802 1 125 . 1 . 1 11 11 ALA HB2 H 1 1.584 0.002 . 1 . . 643 . . 11 ALA HB2 . 26802 1 126 . 1 . 1 11 11 ALA HB3 H 1 1.584 0.002 . 1 . . 643 . . 11 ALA HB3 . 26802 1 127 . 1 . 1 11 11 ALA C C 13 178.962 0.002 . 1 . . 439 . . 11 ALA C . 26802 1 128 . 1 . 1 11 11 ALA CA C 13 54.636 0.002 . 1 . . 265 . . 11 ALA CA . 26802 1 129 . 1 . 1 11 11 ALA CB C 13 18.766 0.002 . 1 . . 349 . . 11 ALA CB . 26802 1 130 . 1 . 1 11 11 ALA N N 15 128.672 0.010 . 1 . . 124 . . 11 ALA N . 26802 1 131 . 1 . 1 12 12 GLU H H 1 8.125 0.002 . 1 . . 51 . . 12 GLU H . 26802 1 132 . 1 . 1 12 12 GLU HA H 1 4.038 0.002 . 1 . . 663 . . 12 GLU HA . 26802 1 133 . 1 . 1 12 12 GLU HB2 H 1 2.118 0.002 . 1 . . 762 . . 12 GLU HB2 . 26802 1 134 . 1 . 1 12 12 GLU HB3 H 1 2.118 0.002 . 1 . . 763 . . 12 GLU HB3 . 26802 1 135 . 1 . 1 12 12 GLU HG2 H 1 2.213 0.002 . 2 . . 766 . . 12 GLU HG2 . 26802 1 136 . 1 . 1 12 12 GLU HG3 H 1 2.287 0.002 . 2 . . 767 . . 12 GLU HG3 . 26802 1 137 . 1 . 1 12 12 GLU C C 13 178.498 0.002 . 1 . . 447 . . 12 GLU C . 26802 1 138 . 1 . 1 12 12 GLU CA C 13 59.252 0.002 . 1 . . 198 . . 12 GLU CA . 26802 1 139 . 1 . 1 12 12 GLU CB C 13 29.363 0.002 . 1 . . 764 . . 12 GLU CB . 26802 1 140 . 1 . 1 12 12 GLU CG C 13 36.585 0.002 . 1 . . 765 . . 12 GLU CG . 26802 1 141 . 1 . 1 12 12 GLU N N 15 118.054 0.010 . 1 . . 52 . . 12 GLU N . 26802 1 142 . 1 . 1 13 13 LYS H H 1 7.579 0.002 . 1 . . 119 . . 13 LYS H . 26802 1 143 . 1 . 1 13 13 LYS HA H 1 4.275 0.002 . 1 . . 714 . . 13 LYS HA . 26802 1 144 . 1 . 1 13 13 LYS HB2 H 1 1.904 0.002 . 2 . . 719 . . 13 LYS HB2 . 26802 1 145 . 1 . 1 13 13 LYS HB3 H 1 1.160 0.002 . 2 . . 720 . . 13 LYS HB3 . 26802 1 146 . 1 . 1 13 13 LYS HG2 H 1 1.403 0.002 . 2 . . 717 . . 13 LYS HG2 . 26802 1 147 . 1 . 1 13 13 LYS HG3 H 1 1.473 0.002 . 2 . . 718 . . 13 LYS HG3 . 26802 1 148 . 1 . 1 13 13 LYS HD2 H 1 1.770 0.002 . 2 . . 721 . . 13 LYS HD2 . 26802 1 149 . 1 . 1 13 13 LYS HD3 H 1 1.608 0.002 . 2 . . 722 . . 13 LYS HD3 . 26802 1 150 . 1 . 1 13 13 LYS HE2 H 1 3.000 0.002 . 2 . . 715 . . 13 LYS HE2 . 26802 1 151 . 1 . 1 13 13 LYS HE3 H 1 3.048 0.002 . 2 . . 716 . . 13 LYS HE3 . 26802 1 152 . 1 . 1 13 13 LYS C C 13 177.430 0.002 . 1 . . 464 . . 13 LYS C . 26802 1 153 . 1 . 1 13 13 LYS CA C 13 56.367 0.002 . 1 . . 197 . . 13 LYS CA . 26802 1 154 . 1 . 1 13 13 LYS CB C 13 33.805 0.002 . 1 . . 380 . . 13 LYS CB . 26802 1 155 . 1 . 1 13 13 LYS CG C 13 25.763 0.002 . 1 . . 382 . . 13 LYS CG . 26802 1 156 . 1 . 1 13 13 LYS CD C 13 28.992 0.002 . 1 . . 381 . . 13 LYS CD . 26802 1 157 . 1 . 1 13 13 LYS CE C 13 42.301 0.002 . 1 . . 379 . . 13 LYS CE . 26802 1 158 . 1 . 1 13 13 LYS N N 15 116.118 0.010 . 1 . . 120 . . 13 LYS N . 26802 1 159 . 1 . 1 14 14 GLY H H 1 8.192 0.002 . 1 . . 9 . . 14 GLY H . 26802 1 160 . 1 . 1 14 14 GLY HA2 H 1 4.087 0.002 . 2 . . 687 . . 14 GLY HA2 . 26802 1 161 . 1 . 1 14 14 GLY HA3 H 1 3.689 0.002 . 2 . . 688 . . 14 GLY HA3 . 26802 1 162 . 1 . 1 14 14 GLY C C 13 172.356 0.002 . 1 . . 453 . . 14 GLY C . 26802 1 163 . 1 . 1 14 14 GLY CA C 13 46.356 0.002 . 1 . . 266 . . 14 GLY CA . 26802 1 164 . 1 . 1 14 14 GLY N N 15 107.881 0.010 . 1 . . 10 . . 14 GLY N . 26802 1 165 . 1 . 1 15 15 PHE H H 1 6.660 0.002 . 1 . . 17 . . 15 PHE H . 26802 1 166 . 1 . 1 15 15 PHE HA H 1 5.146 0.002 . 1 . . 727 . . 15 PHE HA . 26802 1 167 . 1 . 1 15 15 PHE HB2 H 1 2.965 0.002 . 2 . . 728 . . 15 PHE HB2 . 26802 1 168 . 1 . 1 15 15 PHE HB3 H 1 2.857 0.002 . 2 . . 729 . . 15 PHE HB3 . 26802 1 169 . 1 . 1 15 15 PHE HD1 H 1 6.962 0.002 . 1 . . 807 . . 15 PHE HD1 . 26802 1 170 . 1 . 1 15 15 PHE HD2 H 1 6.962 0.002 . 1 . . 807 . . 15 PHE HD2 . 26802 1 171 . 1 . 1 15 15 PHE HE1 H 1 7.579 0.002 . 1 . . 806 . . 15 PHE HE1 . 26802 1 172 . 1 . 1 15 15 PHE HE2 H 1 7.579 0.002 . 1 . . 806 . . 15 PHE HE2 . 26802 1 173 . 1 . 1 15 15 PHE C C 13 171.922 0.002 . 1 . . 466 . . 15 PHE C . 26802 1 174 . 1 . 1 15 15 PHE CA C 13 55.192 0.002 . 1 . . 267 . . 15 PHE CA . 26802 1 175 . 1 . 1 15 15 PHE CB C 13 42.413 0.002 . 1 . . 391 . . 15 PHE CB . 26802 1 176 . 1 . 1 15 15 PHE CD1 C 13 132.686 0.002 . 1 . . 917 . . 15 PHE CD1 . 26802 1 177 . 1 . 1 15 15 PHE CD2 C 13 132.686 0.002 . 1 . . 917 . . 15 PHE CD2 . 26802 1 178 . 1 . 1 15 15 PHE CE1 C 13 131.423 0.002 . 1 . . 908 . . 15 PHE CE1 . 26802 1 179 . 1 . 1 15 15 PHE CE2 C 13 131.423 0.002 . 1 . . 908 . . 15 PHE CE2 . 26802 1 180 . 1 . 1 15 15 PHE N N 15 112.701 0.010 . 1 . . 18 . . 15 PHE N . 26802 1 181 . 1 . 1 16 16 GLY H H 1 8.094 0.002 . 1 . . 147 . . 16 GLY H . 26802 1 182 . 1 . 1 16 16 GLY HA2 H 1 3.866 0.002 . 2 . . 681 . . 16 GLY HA2 . 26802 1 183 . 1 . 1 16 16 GLY HA3 H 1 2.883 0.002 . 2 . . 682 . . 16 GLY HA3 . 26802 1 184 . 1 . 1 16 16 GLY C C 13 170.517 0.002 . 1 . . 452 . . 16 GLY C . 26802 1 185 . 1 . 1 16 16 GLY CA C 13 45.262 0.002 . 1 . . 268 . . 16 GLY CA . 26802 1 186 . 1 . 1 16 16 GLY N N 15 105.694 0.010 . 1 . . 148 . . 16 GLY N . 26802 1 187 . 1 . 1 17 17 PHE H H 1 7.673 0.002 . 1 . . 165 . . 17 PHE H . 26802 1 188 . 1 . 1 17 17 PHE HA H 1 5.241 0.002 . 1 . . 558 . . 17 PHE HA . 26802 1 189 . 1 . 1 17 17 PHE HB2 H 1 2.575 0.002 . 2 . . 559 . . 17 PHE HB2 . 26802 1 190 . 1 . 1 17 17 PHE HB3 H 1 2.244 0.002 . 2 . . 560 . . 17 PHE HB3 . 26802 1 191 . 1 . 1 17 17 PHE HD1 H 1 6.790 0.002 . 1 . . 811 . . 17 PHE HD1 . 26802 1 192 . 1 . 1 17 17 PHE HD2 H 1 6.790 0.002 . 1 . . 811 . . 17 PHE HD2 . 26802 1 193 . 1 . 1 17 17 PHE HE1 H 1 7.553 0.002 . 1 . . 810 . . 17 PHE HE1 . 26802 1 194 . 1 . 1 17 17 PHE HE2 H 1 7.553 0.002 . 1 . . 810 . . 17 PHE HE2 . 26802 1 195 . 1 . 1 17 17 PHE C C 13 174.739 0.002 . 1 . . 416 . . 17 PHE C . 26802 1 196 . 1 . 1 17 17 PHE CA C 13 56.806 0.002 . 1 . . 269 . . 17 PHE CA . 26802 1 197 . 1 . 1 17 17 PHE CB C 13 45.313 0.002 . 1 . . 324 . . 17 PHE CB . 26802 1 198 . 1 . 1 17 17 PHE CD1 C 13 131.750 0.002 . 1 . . 905 . . 17 PHE CD1 . 26802 1 199 . 1 . 1 17 17 PHE CD2 C 13 131.750 0.002 . 1 . . 905 . . 17 PHE CD2 . 26802 1 200 . 1 . 1 17 17 PHE CE1 C 13 131.484 0.002 . 1 . . 907 . . 17 PHE CE1 . 26802 1 201 . 1 . 1 17 17 PHE CE2 C 13 131.484 0.002 . 1 . . 907 . . 17 PHE CE2 . 26802 1 202 . 1 . 1 17 17 PHE N N 15 114.695 0.010 . 1 . . 166 . . 17 PHE N . 26802 1 203 . 1 . 1 18 18 ILE H H 1 9.387 0.002 . 1 . . 183 . . 18 ILE H . 26802 1 204 . 1 . 1 18 18 ILE HA H 1 4.167 0.002 . 1 . . 474 . . 18 ILE HA . 26802 1 205 . 1 . 1 18 18 ILE HB H 1 0.969 0.002 . 1 . . 494 . . 18 ILE HB . 26802 1 206 . 1 . 1 18 18 ILE HG12 H 1 0.340 0.002 . 2 . . 495 . . 18 ILE HG12 . 26802 1 207 . 1 . 1 18 18 ILE HG13 H 1 1.144 0.002 . 2 . . 496 . . 18 ILE HG13 . 26802 1 208 . 1 . 1 18 18 ILE HG21 H 1 0.108 0.002 . 1 . . 493 . . 18 ILE HG21 . 26802 1 209 . 1 . 1 18 18 ILE HG22 H 1 0.108 0.002 . 1 . . 493 . . 18 ILE HG22 . 26802 1 210 . 1 . 1 18 18 ILE HG23 H 1 0.108 0.002 . 1 . . 493 . . 18 ILE HG23 . 26802 1 211 . 1 . 1 18 18 ILE HD11 H 1 -0.091 0.002 . 1 . . 492 . . 18 ILE HD11 . 26802 1 212 . 1 . 1 18 18 ILE HD12 H 1 -0.091 0.002 . 1 . . 492 . . 18 ILE HD12 . 26802 1 213 . 1 . 1 18 18 ILE HD13 H 1 -0.091 0.002 . 1 . . 492 . . 18 ILE HD13 . 26802 1 214 . 1 . 1 18 18 ILE C C 13 173.779 0.002 . 1 . . 394 . . 18 ILE C . 26802 1 215 . 1 . 1 18 18 ILE CA C 13 59.393 0.002 . 1 . . 270 . . 18 ILE CA . 26802 1 216 . 1 . 1 18 18 ILE CB C 13 41.984 0.002 . 1 . . 294 . . 18 ILE CB . 26802 1 217 . 1 . 1 18 18 ILE CG1 C 13 27.948 0.002 . 1 . . 295 . . 18 ILE CG1 . 26802 1 218 . 1 . 1 18 18 ILE CG2 C 13 17.670 0.002 . 1 . . 296 . . 18 ILE CG2 . 26802 1 219 . 1 . 1 18 18 ILE CD1 C 13 14.053 0.002 . 1 . . 297 . . 18 ILE CD1 . 26802 1 220 . 1 . 1 18 18 ILE N N 15 121.868 0.010 . 1 . . 184 . . 18 ILE N . 26802 1 221 . 1 . 1 19 19 ALA H H 1 9.216 0.002 . 1 . . 25 . . 19 ALA H . 26802 1 222 . 1 . 1 19 19 ALA HA H 1 5.333 0.002 . 1 . . 746 . . 19 ALA HA . 26802 1 223 . 1 . 1 19 19 ALA HB1 H 1 1.431 0.002 . 1 . . 801 . . 19 ALA HB1 . 26802 1 224 . 1 . 1 19 19 ALA HB2 H 1 1.431 0.002 . 1 . . 801 . . 19 ALA HB2 . 26802 1 225 . 1 . 1 19 19 ALA HB3 H 1 1.431 0.002 . 1 . . 801 . . 19 ALA HB3 . 26802 1 226 . 1 . 1 19 19 ALA CA C 13 48.624 0.002 . 1 . . 271 . . 19 ALA CA . 26802 1 227 . 1 . 1 19 19 ALA CB C 13 19.641 0.002 . 1 . . 800 . . 19 ALA CB . 26802 1 228 . 1 . 1 19 19 ALA N N 15 131.144 0.010 . 1 . . 26 . . 19 ALA N . 26802 1 229 . 1 . 1 20 20 PRO HA H 1 4.692 0.002 . 1 . . 504 . . 20 PRO HA . 26802 1 230 . 1 . 1 20 20 PRO HB2 H 1 2.472 0.002 . 2 . . 507 . . 20 PRO HB2 . 26802 1 231 . 1 . 1 20 20 PRO HB3 H 1 2.280 0.002 . 2 . . 508 . . 20 PRO HB3 . 26802 1 232 . 1 . 1 20 20 PRO HG2 H 1 1.793 0.002 . 2 . . 510 . . 20 PRO HG2 . 26802 1 233 . 1 . 1 20 20 PRO HG3 H 1 2.263 0.002 . 2 . . 882 . . 20 PRO HG3 . 26802 1 234 . 1 . 1 20 20 PRO HD2 H 1 4.505 0.002 . 2 . . 505 . . 20 PRO HD2 . 26802 1 235 . 1 . 1 20 20 PRO HD3 H 1 3.809 0.002 . 2 . . 506 . . 20 PRO HD3 . 26802 1 236 . 1 . 1 20 20 PRO C C 13 177.945 0.002 . 1 . . 404 . . 20 PRO C . 26802 1 237 . 1 . 1 20 20 PRO CA C 13 63.477 0.002 . 1 . . 209 . . 20 PRO CA . 26802 1 238 . 1 . 1 20 20 PRO CB C 13 33.175 0.002 . 1 . . 313 . . 20 PRO CB . 26802 1 239 . 1 . 1 20 20 PRO CG C 13 28.779 0.002 . 1 . . 314 . . 20 PRO CG . 26802 1 240 . 1 . 1 20 20 PRO CD C 13 52.638 0.002 . 1 . . 312 . . 20 PRO CD . 26802 1 241 . 1 . 1 21 21 ASP H H 1 9.197 0.002 . 1 . . 29 . . 21 ASP H . 26802 1 242 . 1 . 1 21 21 ASP HA H 1 4.485 0.002 . 1 . . 654 . . 21 ASP HA . 26802 1 243 . 1 . 1 21 21 ASP HB2 H 1 2.683 0.002 . 1 . . 655 . . 21 ASP HB2 . 26802 1 244 . 1 . 1 21 21 ASP HB3 H 1 2.683 0.002 . 1 . . 656 . . 21 ASP HB3 . 26802 1 245 . 1 . 1 21 21 ASP C C 13 176.885 0.002 . 1 . . 445 . . 21 ASP C . 26802 1 246 . 1 . 1 21 21 ASP CA C 13 56.647 0.002 . 1 . . 208 . . 21 ASP CA . 26802 1 247 . 1 . 1 21 21 ASP CB C 13 40.153 0.002 . 1 . . 356 . . 21 ASP CB . 26802 1 248 . 1 . 1 21 21 ASP N N 15 125.232 0.010 . 1 . . 30 . . 21 ASP N . 26802 1 249 . 1 . 1 22 22 ASP H H 1 8.041 0.002 . 1 . . 61 . . 22 ASP H . 26802 1 250 . 1 . 1 22 22 ASP HA H 1 4.511 0.002 . 1 . . 724 . . 22 ASP HA . 26802 1 251 . 1 . 1 22 22 ASP HB2 H 1 3.123 0.002 . 2 . . 725 . . 22 ASP HB2 . 26802 1 252 . 1 . 1 22 22 ASP HB3 H 1 2.672 0.002 . 2 . . 726 . . 22 ASP HB3 . 26802 1 253 . 1 . 1 22 22 ASP C C 13 177.796 0.002 . 1 . . 465 . . 22 ASP C . 26802 1 254 . 1 . 1 22 22 ASP CA C 13 53.766 0.002 . 1 . . 210 . . 22 ASP CA . 26802 1 255 . 1 . 1 22 22 ASP CB C 13 39.921 0.002 . 1 . . 390 . . 22 ASP CB . 26802 1 256 . 1 . 1 22 22 ASP N N 15 116.690 0.010 . 1 . . 62 . . 22 ASP N . 26802 1 257 . 1 . 1 23 23 GLY H H 1 7.822 0.002 . 1 . . 21 . . 23 GLY H . 26802 1 258 . 1 . 1 23 23 GLY HA2 H 1 4.154 0.002 . 2 . . 664 . . 23 GLY HA2 . 26802 1 259 . 1 . 1 23 23 GLY HA3 H 1 3.968 0.002 . 2 . . 665 . . 23 GLY HA3 . 26802 1 260 . 1 . 1 23 23 GLY C C 13 174.785 0.002 . 1 . . 448 . . 23 GLY C . 26802 1 261 . 1 . 1 23 23 GLY CA C 13 45.888 0.002 . 1 . . 211 . . 23 GLY CA . 26802 1 262 . 1 . 1 23 23 GLY N N 15 107.454 0.010 . 1 . . 22 . . 23 GLY N . 26802 1 263 . 1 . 1 24 24 SER H H 1 7.974 0.002 . 1 . . 127 . . 24 SER H . 26802 1 264 . 1 . 1 24 24 SER HA H 1 4.333 0.002 . 1 . . 606 . . 24 SER HA . 26802 1 265 . 1 . 1 24 24 SER HB2 H 1 4.162 0.002 . 2 . . 607 . . 24 SER HB2 . 26802 1 266 . 1 . 1 24 24 SER HB3 H 1 3.939 0.002 . 2 . . 608 . . 24 SER HB3 . 26802 1 267 . 1 . 1 24 24 SER C C 13 171.788 0.002 . 1 . . 432 . . 24 SER C . 26802 1 268 . 1 . 1 24 24 SER CA C 13 58.585 0.002 . 1 . . 212 . . 24 SER CA . 26802 1 269 . 1 . 1 24 24 SER CB C 13 63.336 0.002 . 1 . . 335 . . 24 SER CB . 26802 1 270 . 1 . 1 24 24 SER N N 15 115.829 0.010 . 1 . . 128 . . 24 SER N . 26802 1 271 . 1 . 1 25 25 ALA H H 1 7.857 0.002 . 1 . . 41 . . 25 ALA H . 26802 1 272 . 1 . 1 25 25 ALA HA H 1 4.099 0.002 . 1 . . 652 . . 25 ALA HA . 26802 1 273 . 1 . 1 25 25 ALA HB1 H 1 1.448 0.002 . 1 . . 653 . . 25 ALA HB1 . 26802 1 274 . 1 . 1 25 25 ALA HB2 H 1 1.448 0.002 . 1 . . 653 . . 25 ALA HB2 . 26802 1 275 . 1 . 1 25 25 ALA HB3 H 1 1.448 0.002 . 1 . . 653 . . 25 ALA HB3 . 26802 1 276 . 1 . 1 25 25 ALA C C 13 176.370 0.002 . 1 . . 442 . . 25 ALA C . 26802 1 277 . 1 . 1 25 25 ALA CA C 13 52.941 0.002 . 1 . . 213 . . 25 ALA CA . 26802 1 278 . 1 . 1 25 25 ALA CB C 13 19.506 0.002 . 1 . . 354 . . 25 ALA CB . 26802 1 279 . 1 . 1 25 25 ALA N N 15 119.692 0.010 . 1 . . 42 . . 25 ALA N . 26802 1 280 . 1 . 1 26 26 ASP H H 1 8.018 0.002 . 1 . . 59 . . 26 ASP H . 26802 1 281 . 1 . 1 26 26 ASP HA H 1 4.846 0.002 . 1 . . 596 . . 26 ASP HA . 26802 1 282 . 1 . 1 26 26 ASP HB2 H 1 2.426 0.002 . 1 . . 597 . . 26 ASP HB2 . 26802 1 283 . 1 . 1 26 26 ASP HB3 H 1 2.426 0.002 . 1 . . 598 . . 26 ASP HB3 . 26802 1 284 . 1 . 1 26 26 ASP C C 13 176.656 0.002 . 1 . . 429 . . 26 ASP C . 26802 1 285 . 1 . 1 26 26 ASP CA C 13 55.247 0.002 . 1 . . 214 . . 26 ASP CA . 26802 1 286 . 1 . 1 26 26 ASP CB C 13 41.356 0.002 . 1 . . 334 . . 26 ASP CB . 26802 1 287 . 1 . 1 26 26 ASP N N 15 117.553 0.010 . 1 . . 60 . . 26 ASP N . 26802 1 288 . 1 . 1 27 27 VAL H H 1 9.338 0.002 . 1 . . 217 . . 27 VAL H . 26802 1 289 . 1 . 1 27 27 VAL HA H 1 4.425 0.002 . 1 . . 475 . . 27 VAL HA . 26802 1 290 . 1 . 1 27 27 VAL HB H 1 1.668 0.002 . 1 . . 476 . . 27 VAL HB . 26802 1 291 . 1 . 1 27 27 VAL HG11 H 1 0.932 0.002 . 2 . . 477 . . 27 VAL HG11 . 26802 1 292 . 1 . 1 27 27 VAL HG12 H 1 0.932 0.002 . 2 . . 477 . . 27 VAL HG12 . 26802 1 293 . 1 . 1 27 27 VAL HG13 H 1 0.932 0.002 . 2 . . 477 . . 27 VAL HG13 . 26802 1 294 . 1 . 1 27 27 VAL HG21 H 1 0.810 0.002 . 2 . . 478 . . 27 VAL HG21 . 26802 1 295 . 1 . 1 27 27 VAL HG22 H 1 0.810 0.002 . 2 . . 478 . . 27 VAL HG22 . 26802 1 296 . 1 . 1 27 27 VAL HG23 H 1 0.810 0.002 . 2 . . 478 . . 27 VAL HG23 . 26802 1 297 . 1 . 1 27 27 VAL C C 13 174.631 0.002 . 1 . . 396 . . 27 VAL C . 26802 1 298 . 1 . 1 27 27 VAL CA C 13 60.510 0.002 . 1 . . 215 . . 27 VAL CA . 26802 1 299 . 1 . 1 27 27 VAL CB C 13 34.888 0.002 . 1 . . 298 . . 27 VAL CB . 26802 1 300 . 1 . 1 27 27 VAL CG1 C 13 21.460 0.002 . 2 . . 775 . . 27 VAL CG1 . 26802 1 301 . 1 . 1 27 27 VAL CG2 C 13 22.234 0.002 . 2 . . 774 . . 27 VAL CG2 . 26802 1 302 . 1 . 1 27 27 VAL N N 15 119.920 0.010 . 1 . . 216 . . 27 VAL N . 26802 1 303 . 1 . 1 28 28 PHE H H 1 8.386 0.002 . 1 . . 95 . . 28 PHE H . 26802 1 304 . 1 . 1 28 28 PHE HA H 1 3.760 0.002 . 1 . . 536 . . 28 PHE HA . 26802 1 305 . 1 . 1 28 28 PHE HB2 H 1 3.062 0.002 . 2 . . 537 . . 28 PHE HB2 . 26802 1 306 . 1 . 1 28 28 PHE HB3 H 1 2.755 0.002 . 2 . . 538 . . 28 PHE HB3 . 26802 1 307 . 1 . 1 28 28 PHE HD1 H 1 6.822 0.002 . 1 . . 872 . . 28 PHE HD1 . 26802 1 308 . 1 . 1 28 28 PHE HD2 H 1 6.822 0.002 . 1 . . 872 . . 28 PHE HD2 . 26802 1 309 . 1 . 1 28 28 PHE C C 13 172.711 0.002 . 1 . . 407 . . 28 PHE C . 26802 1 310 . 1 . 1 28 28 PHE CA C 13 58.342 0.002 . 1 . . 218 . . 28 PHE CA . 26802 1 311 . 1 . 1 28 28 PHE CB C 13 40.440 0.002 . 1 . . 316 . . 28 PHE CB . 26802 1 312 . 1 . 1 28 28 PHE CD1 C 13 131.887 0.002 . 1 . . 906 . . 28 PHE CD1 . 26802 1 313 . 1 . 1 28 28 PHE CD2 C 13 131.887 0.002 . 1 . . 906 . . 28 PHE CD2 . 26802 1 314 . 1 . 1 28 28 PHE N N 15 129.889 0.010 . 1 . . 96 . . 28 PHE N . 26802 1 315 . 1 . 1 29 29 VAL H H 1 7.710 0.002 . 1 . . 157 . . 29 VAL H . 26802 1 316 . 1 . 1 29 29 VAL HA H 1 4.607 0.002 . 1 . . 482 . . 29 VAL HA . 26802 1 317 . 1 . 1 29 29 VAL HB H 1 1.442 0.002 . 1 . . 483 . . 29 VAL HB . 26802 1 318 . 1 . 1 29 29 VAL HG11 H 1 0.545 0.002 . 2 . . 484 . . 29 VAL HG11 . 26802 1 319 . 1 . 1 29 29 VAL HG12 H 1 0.545 0.002 . 2 . . 484 . . 29 VAL HG12 . 26802 1 320 . 1 . 1 29 29 VAL HG13 H 1 0.545 0.002 . 2 . . 484 . . 29 VAL HG13 . 26802 1 321 . 1 . 1 29 29 VAL HG21 H 1 0.411 0.002 . 2 . . 485 . . 29 VAL HG21 . 26802 1 322 . 1 . 1 29 29 VAL HG22 H 1 0.411 0.002 . 2 . . 485 . . 29 VAL HG22 . 26802 1 323 . 1 . 1 29 29 VAL HG23 H 1 0.411 0.002 . 2 . . 485 . . 29 VAL HG23 . 26802 1 324 . 1 . 1 29 29 VAL C C 13 170.181 0.002 . 1 . . 467 . . 29 VAL C . 26802 1 325 . 1 . 1 29 29 VAL CA C 13 58.033 0.002 . 1 . . 278 . . 29 VAL CA . 26802 1 326 . 1 . 1 29 29 VAL CB C 13 34.391 0.002 . 1 . . 288 . . 29 VAL CB . 26802 1 327 . 1 . 1 29 29 VAL CG1 C 13 22.808 0.002 . 2 . . 289 . . 29 VAL CG1 . 26802 1 328 . 1 . 1 29 29 VAL CG2 C 13 18.006 0.002 . 2 . . 290 . . 29 VAL CG2 . 26802 1 329 . 1 . 1 29 29 VAL N N 15 124.229 0.010 . 1 . . 158 . . 29 VAL N . 26802 1 330 . 1 . 1 30 30 HIS H H 1 8.966 0.002 . 1 . . 85 . . 30 HIS H . 26802 1 331 . 1 . 1 30 30 HIS HA H 1 4.809 0.002 . 1 . . 870 . . 30 HIS HA . 26802 1 332 . 1 . 1 30 30 HIS HB2 H 1 3.123 0.002 . 2 . . 551 . . 30 HIS HB2 . 26802 1 333 . 1 . 1 30 30 HIS HB3 H 1 2.885 0.002 . 2 . . 552 . . 30 HIS HB3 . 26802 1 334 . 1 . 1 30 30 HIS HD2 H 1 7.313 0.002 . 1 . . 871 . . 30 HIS HD2 . 26802 1 335 . 1 . 1 30 30 HIS C C 13 177.054 0.002 . 1 . . 875 . . 30 HIS C . 26802 1 336 . 1 . 1 30 30 HIS CA C 13 55.736 0.002 . 1 . . 861 . . 30 HIS CA . 26802 1 337 . 1 . 1 30 30 HIS CB C 13 34.678 0.002 . 1 . . 862 . . 30 HIS CB . 26802 1 338 . 1 . 1 30 30 HIS CD2 C 13 118.654 0.002 . 1 . . 899 . . 30 HIS CD2 . 26802 1 339 . 1 . 1 30 30 HIS N N 15 127.780 0.010 . 1 . . 86 . . 30 HIS N . 26802 1 340 . 1 . 1 31 31 TYR H H 1 8.259 0.002 . 1 . . 145 . . 31 TYR H . 26802 1 341 . 1 . 1 31 31 TYR HA H 1 4.024 0.002 . 1 . . 869 . . 31 TYR HA . 26802 1 342 . 1 . 1 31 31 TYR HB2 H 1 3.118 0.002 . 2 . . 880 . . 31 TYR HB2 . 26802 1 343 . 1 . 1 31 31 TYR HB3 H 1 2.853 0.002 . 2 . . 881 . . 31 TYR HB3 . 26802 1 344 . 1 . 1 31 31 TYR HD1 H 1 6.975 0.002 . 1 . . 868 . . 31 TYR HD1 . 26802 1 345 . 1 . 1 31 31 TYR HD2 H 1 6.975 0.002 . 1 . . 868 . . 31 TYR HD2 . 26802 1 346 . 1 . 1 31 31 TYR HE1 H 1 6.868 0.002 . 1 . . 867 . . 31 TYR HE1 . 26802 1 347 . 1 . 1 31 31 TYR HE2 H 1 6.868 0.002 . 1 . . 867 . . 31 TYR HE2 . 26802 1 348 . 1 . 1 31 31 TYR C C 13 176.252 0.002 . 1 . . 874 . . 31 TYR C . 26802 1 349 . 1 . 1 31 31 TYR CA C 13 60.317 0.002 . 1 . . 855 . . 31 TYR CA . 26802 1 350 . 1 . 1 31 31 TYR CB C 13 37.084 0.002 . 1 . . 859 . . 31 TYR CB . 26802 1 351 . 1 . 1 31 31 TYR CD1 C 13 133.250 0.002 . 1 . . 903 . . 31 TYR CD1 . 26802 1 352 . 1 . 1 31 31 TYR CD2 C 13 133.250 0.002 . 1 . . 903 . . 31 TYR CD2 . 26802 1 353 . 1 . 1 31 31 TYR CE1 C 13 118.457 0.002 . 1 . . 904 . . 31 TYR CE1 . 26802 1 354 . 1 . 1 31 31 TYR CE2 C 13 118.457 0.002 . 1 . . 904 . . 31 TYR CE2 . 26802 1 355 . 1 . 1 31 31 TYR N N 15 123.112 0.010 . 1 . . 146 . . 31 TYR N . 26802 1 356 . 1 . 1 32 32 SER H H 1 7.808 0.002 . 1 . . 857 . . 32 SER H . 26802 1 357 . 1 . 1 32 32 SER HA H 1 3.828 0.002 . 1 . . 863 . . 32 SER HA . 26802 1 358 . 1 . 1 32 32 SER HB2 H 1 3.930 0.002 . 2 . . 865 . . 32 SER HB2 . 26802 1 359 . 1 . 1 32 32 SER HB3 H 1 3.631 0.002 . 2 . . 866 . . 32 SER HB3 . 26802 1 360 . 1 . 1 32 32 SER C C 13 175.749 0.002 . 1 . . 873 . . 32 SER C . 26802 1 361 . 1 . 1 32 32 SER CA C 13 60.606 0.002 . 1 . . 207 . . 32 SER CA . 26802 1 362 . 1 . 1 32 32 SER CB C 13 62.596 0.002 . 1 . . 860 . . 32 SER CB . 26802 1 363 . 1 . 1 32 32 SER N N 15 117.415 0.010 . 1 . . 856 . . 32 SER N . 26802 1 364 . 1 . 1 33 33 GLU H H 1 7.791 0.002 . 1 . . 23 . . 33 GLU H . 26802 1 365 . 1 . 1 33 33 GLU HA H 1 4.458 0.002 . 1 . . 567 . . 33 GLU HA . 26802 1 366 . 1 . 1 33 33 GLU HB2 H 1 2.565 0.002 . 2 . . 570 . . 33 GLU HB2 . 26802 1 367 . 1 . 1 33 33 GLU HB3 H 1 1.871 0.002 . 2 . . 571 . . 33 GLU HB3 . 26802 1 368 . 1 . 1 33 33 GLU HG2 H 1 2.775 0.002 . 2 . . 568 . . 33 GLU HG2 . 26802 1 369 . 1 . 1 33 33 GLU HG3 H 1 2.300 0.002 . 2 . . 569 . . 33 GLU HG3 . 26802 1 370 . 1 . 1 33 33 GLU C C 13 176.311 0.002 . 1 . . 419 . . 33 GLU C . 26802 1 371 . 1 . 1 33 33 GLU CA C 13 55.859 0.002 . 1 . . 206 . . 33 GLU CA . 26802 1 372 . 1 . 1 33 33 GLU CB C 13 30.377 0.002 . 1 . . 325 . . 33 GLU CB . 26802 1 373 . 1 . 1 33 33 GLU CG C 13 35.666 0.002 . 1 . . 326 . . 33 GLU CG . 26802 1 374 . 1 . 1 33 33 GLU N N 15 120.161 0.010 . 1 . . 24 . . 33 GLU N . 26802 1 375 . 1 . 1 34 34 ILE H H 1 7.476 0.002 . 1 . . 53 . . 34 ILE H . 26802 1 376 . 1 . 1 34 34 ILE HA H 1 3.984 0.002 . 1 . . 486 . . 34 ILE HA . 26802 1 377 . 1 . 1 34 34 ILE HB H 1 1.660 0.002 . 1 . . 488 . . 34 ILE HB . 26802 1 378 . 1 . 1 34 34 ILE HG12 H 1 0.325 0.002 . 2 . . 887 . . 34 ILE HG12 . 26802 1 379 . 1 . 1 34 34 ILE HG13 H 1 1.533 0.002 . 2 . . 888 . . 34 ILE HG13 . 26802 1 380 . 1 . 1 34 34 ILE HG21 H 1 0.658 0.002 . 1 . . 489 . . 34 ILE HG21 . 26802 1 381 . 1 . 1 34 34 ILE HG22 H 1 0.658 0.002 . 1 . . 489 . . 34 ILE HG22 . 26802 1 382 . 1 . 1 34 34 ILE HG23 H 1 0.658 0.002 . 1 . . 489 . . 34 ILE HG23 . 26802 1 383 . 1 . 1 34 34 ILE HD11 H 1 0.331 0.002 . 1 . . 487 . . 34 ILE HD11 . 26802 1 384 . 1 . 1 34 34 ILE HD12 H 1 0.331 0.002 . 1 . . 487 . . 34 ILE HD12 . 26802 1 385 . 1 . 1 34 34 ILE HD13 H 1 0.331 0.002 . 1 . . 487 . . 34 ILE HD13 . 26802 1 386 . 1 . 1 34 34 ILE C C 13 175.992 0.002 . 1 . . 399 . . 34 ILE C . 26802 1 387 . 1 . 1 34 34 ILE CA C 13 62.303 0.002 . 1 . . 205 . . 34 ILE CA . 26802 1 388 . 1 . 1 34 34 ILE CB C 13 37.748 0.002 . 1 . . 302 . . 34 ILE CB . 26802 1 389 . 1 . 1 34 34 ILE CG1 C 13 27.406 0.002 . 1 . . 303 . . 34 ILE CG1 . 26802 1 390 . 1 . 1 34 34 ILE CG2 C 13 17.203 0.002 . 1 . . 304 . . 34 ILE CG2 . 26802 1 391 . 1 . 1 34 34 ILE CD1 C 13 14.385 0.002 . 1 . . 305 . . 34 ILE CD1 . 26802 1 392 . 1 . 1 34 34 ILE N N 15 121.476 0.010 . 1 . . 54 . . 34 ILE N . 26802 1 393 . 1 . 1 35 35 GLN H H 1 8.789 0.002 . 1 . . 75 . . 35 GLN H . 26802 1 394 . 1 . 1 35 35 GLN HA H 1 4.292 0.002 . 1 . . 705 . . 35 GLN HA . 26802 1 395 . 1 . 1 35 35 GLN HB2 H 1 1.722 0.002 . 2 . . 780 . . 35 GLN HB2 . 26802 1 396 . 1 . 1 35 35 GLN HB3 H 1 1.979 0.002 . 2 . . 782 . . 35 GLN HB3 . 26802 1 397 . 1 . 1 35 35 GLN HG2 H 1 2.137 0.002 . 2 . . 784 . . 35 GLN HG2 . 26802 1 398 . 1 . 1 35 35 GLN HG3 H 1 2.190 0.002 . 2 . . 785 . . 35 GLN HG3 . 26802 1 399 . 1 . 1 35 35 GLN HE21 H 1 7.219 0.002 . 1 . . 843 . . 35 GLN HE21 . 26802 1 400 . 1 . 1 35 35 GLN HE22 H 1 6.901 0.002 . 1 . . 845 . . 35 GLN HE22 . 26802 1 401 . 1 . 1 35 35 GLN C C 13 175.965 0.002 . 1 . . 458 . . 35 GLN C . 26802 1 402 . 1 . 1 35 35 GLN CA C 13 55.728 0.002 . 1 . . 204 . . 35 GLN CA . 26802 1 403 . 1 . 1 35 35 GLN CB C 13 29.764 0.002 . 1 . . 779 . . 35 GLN CB . 26802 1 404 . 1 . 1 35 35 GLN CG C 13 33.840 0.002 . 1 . . 377 . . 35 GLN CG . 26802 1 405 . 1 . 1 35 35 GLN CD C 13 179.551 0.002 . 1 . . 931 . . 35 GLN CD . 26802 1 406 . 1 . 1 35 35 GLN N N 15 127.625 0.010 . 1 . . 76 . . 35 GLN N . 26802 1 407 . 1 . 1 35 35 GLN NE2 N 15 112.459 0.010 . 1 . . 844 . . 35 GLN NE2 . 26802 1 408 . 1 . 1 36 36 GLY H H 1 8.337 0.002 . 1 . . 125 . . 36 GLY H . 26802 1 409 . 1 . 1 36 36 GLY HA2 H 1 4.227 0.002 . 2 . . 650 . . 36 GLY HA2 . 26802 1 410 . 1 . 1 36 36 GLY HA3 H 1 3.768 0.002 . 2 . . 651 . . 36 GLY HA3 . 26802 1 411 . 1 . 1 36 36 GLY C C 13 173.291 0.002 . 1 . . 441 . . 36 GLY C . 26802 1 412 . 1 . 1 36 36 GLY CA C 13 44.923 0.002 . 1 . . 203 . . 36 GLY CA . 26802 1 413 . 1 . 1 36 36 GLY N N 15 109.833 0.010 . 1 . . 126 . . 36 GLY N . 26802 1 414 . 1 . 1 37 37 ASN H H 1 8.370 0.002 . 1 . . 244 . . 37 ASN H . 26802 1 415 . 1 . 1 37 37 ASN HA H 1 4.820 0.002 . 1 . . 706 . . 37 ASN HA . 26802 1 416 . 1 . 1 37 37 ASN HB2 H 1 2.717 0.002 . 2 . . 707 . . 37 ASN HB2 . 26802 1 417 . 1 . 1 37 37 ASN HB3 H 1 2.796 0.002 . 2 . . 708 . . 37 ASN HB3 . 26802 1 418 . 1 . 1 37 37 ASN HD21 H 1 7.564 0.002 . 1 . . 849 . . 37 ASN HD21 . 26802 1 419 . 1 . 1 37 37 ASN HD22 H 1 6.925 0.002 . 1 . . 851 . . 37 ASN HD22 . 26802 1 420 . 1 . 1 37 37 ASN C C 13 175.539 0.002 . 1 . . 459 . . 37 ASN C . 26802 1 421 . 1 . 1 37 37 ASN CA C 13 52.935 0.002 . 1 . . 243 . . 37 ASN CA . 26802 1 422 . 1 . 1 37 37 ASN CB C 13 39.636 0.002 . 1 . . 387 . . 37 ASN CB . 26802 1 423 . 1 . 1 37 37 ASN CG C 13 177.156 0.002 . 1 . . 937 . . 37 ASN CG . 26802 1 424 . 1 . 1 37 37 ASN N N 15 117.864 0.010 . 1 . . 245 . . 37 ASN N . 26802 1 425 . 1 . 1 37 37 ASN ND2 N 15 112.974 0.010 . 1 . . 850 . . 37 ASN ND2 . 26802 1 426 . 1 . 1 38 38 GLY H H 1 8.422 0.002 . 1 . . 155 . . 38 GLY H . 26802 1 427 . 1 . 1 38 38 GLY HA2 H 1 3.836 0.002 . 1 . . 575 . . 38 GLY HA2 . 26802 1 428 . 1 . 1 38 38 GLY HA3 H 1 3.836 0.002 . 1 . . 576 . . 38 GLY HA3 . 26802 1 429 . 1 . 1 38 38 GLY C C 13 173.874 0.002 . 1 . . 421 . . 38 GLY C . 26802 1 430 . 1 . 1 38 38 GLY CA C 13 45.273 0.002 . 1 . . 242 . . 38 GLY CA . 26802 1 431 . 1 . 1 38 38 GLY N N 15 109.398 0.010 . 1 . . 156 . . 38 GLY N . 26802 1 432 . 1 . 1 39 39 PHE H H 1 8.162 0.002 . 1 . . 79 . . 39 PHE H . 26802 1 433 . 1 . 1 39 39 PHE HA H 1 4.496 0.002 . 1 . . 541 . . 39 PHE HA . 26802 1 434 . 1 . 1 39 39 PHE HB2 H 1 2.958 0.002 . 2 . . 542 . . 39 PHE HB2 . 26802 1 435 . 1 . 1 39 39 PHE HB3 H 1 3.019 0.002 . 2 . . 543 . . 39 PHE HB3 . 26802 1 436 . 1 . 1 39 39 PHE HD1 H 1 7.138 0.002 . 1 . . 815 . . 39 PHE HD1 . 26802 1 437 . 1 . 1 39 39 PHE HD2 H 1 7.138 0.002 . 1 . . 815 . . 39 PHE HD2 . 26802 1 438 . 1 . 1 39 39 PHE HE1 H 1 7.218 0.002 . 1 . . 814 . . 39 PHE HE1 . 26802 1 439 . 1 . 1 39 39 PHE HE2 H 1 7.218 0.002 . 1 . . 814 . . 39 PHE HE2 . 26802 1 440 . 1 . 1 39 39 PHE C C 13 175.728 0.002 . 1 . . 411 . . 39 PHE C . 26802 1 441 . 1 . 1 39 39 PHE CA C 13 58.132 0.002 . 1 . . 241 . . 39 PHE CA . 26802 1 442 . 1 . 1 39 39 PHE CB C 13 38.989 0.002 . 1 . . 317 . . 39 PHE CB . 26802 1 443 . 1 . 1 39 39 PHE CD1 C 13 131.609 0.002 . 1 . . 911 . . 39 PHE CD1 . 26802 1 444 . 1 . 1 39 39 PHE CD2 C 13 131.609 0.002 . 1 . . 911 . . 39 PHE CD2 . 26802 1 445 . 1 . 1 39 39 PHE N N 15 121.234 0.010 . 1 . . 80 . . 39 PHE N . 26802 1 446 . 1 . 1 40 40 ARG H H 1 8.141 0.002 . 1 . . 33 . . 40 ARG H . 26802 1 447 . 1 . 1 40 40 ARG HA H 1 4.250 0.002 . 1 . . 689 . . 40 ARG HA . 26802 1 448 . 1 . 1 40 40 ARG HB2 H 1 1.704 0.002 . 2 . . 692 . . 40 ARG HB2 . 26802 1 449 . 1 . 1 40 40 ARG HB3 H 1 1.740 0.002 . 2 . . 695 . . 40 ARG HB3 . 26802 1 450 . 1 . 1 40 40 ARG HG2 H 1 1.493 0.002 . 1 . . 693 . . 40 ARG HG2 . 26802 1 451 . 1 . 1 40 40 ARG HG3 H 1 1.493 0.002 . 1 . . 694 . . 40 ARG HG3 . 26802 1 452 . 1 . 1 40 40 ARG HD2 H 1 3.067 0.002 . 1 . . 690 . . 40 ARG HD2 . 26802 1 453 . 1 . 1 40 40 ARG HD3 H 1 3.067 0.002 . 1 . . 691 . . 40 ARG HD3 . 26802 1 454 . 1 . 1 40 40 ARG C C 13 174.091 0.002 . 1 . . 455 . . 40 ARG C . 26802 1 455 . 1 . 1 40 40 ARG CA C 13 55.683 0.002 . 1 . . 240 . . 40 ARG CA . 26802 1 456 . 1 . 1 40 40 ARG CB C 13 30.962 0.002 . 1 . . 367 . . 40 ARG CB . 26802 1 457 . 1 . 1 40 40 ARG CG C 13 26.694 0.002 . 1 . . 368 . . 40 ARG CG . 26802 1 458 . 1 . 1 40 40 ARG CD C 13 43.541 0.002 . 1 . . 366 . . 40 ARG CD . 26802 1 459 . 1 . 1 40 40 ARG N N 15 123.537 0.010 . 1 . . 34 . . 40 ARG N . 26802 1 460 . 1 . 1 41 41 THR H H 1 7.564 0.002 . 1 . . 113 . . 41 THR H . 26802 1 461 . 1 . 1 41 41 THR HA H 1 4.038 0.002 . 1 . . 610 . . 41 THR HA . 26802 1 462 . 1 . 1 41 41 THR HB H 1 3.878 0.002 . 1 . . 611 . . 41 THR HB . 26802 1 463 . 1 . 1 41 41 THR HG21 H 1 1.029 0.002 . 1 . . 609 . . 41 THR HG21 . 26802 1 464 . 1 . 1 41 41 THR HG22 H 1 1.029 0.002 . 1 . . 609 . . 41 THR HG22 . 26802 1 465 . 1 . 1 41 41 THR HG23 H 1 1.029 0.002 . 1 . . 609 . . 41 THR HG23 . 26802 1 466 . 1 . 1 41 41 THR C C 13 171.918 0.002 . 1 . . 392 . . 41 THR C . 26802 1 467 . 1 . 1 41 41 THR CA C 13 59.898 0.002 . 1 . . 239 . . 41 THR CA . 26802 1 468 . 1 . 1 41 41 THR CB C 13 70.287 0.002 . 1 . . 786 . . 41 THR CB . 26802 1 469 . 1 . 1 41 41 THR CG2 C 13 20.500 0.002 . 1 . . 344 . . 41 THR CG2 . 26802 1 470 . 1 . 1 41 41 THR N N 15 112.116 0.010 . 1 . . 114 . . 41 THR N . 26802 1 471 . 1 . 1 42 42 LEU H H 1 6.071 0.002 . 1 . . 83 . . 42 LEU H . 26802 1 472 . 1 . 1 42 42 LEU HA H 1 4.503 0.002 . 1 . . 644 . . 42 LEU HA . 26802 1 473 . 1 . 1 42 42 LEU HB2 H 1 1.005 0.002 . 2 . . 648 . . 42 LEU HB2 . 26802 1 474 . 1 . 1 42 42 LEU HB3 H 1 0.431 0.002 . 2 . . 649 . . 42 LEU HB3 . 26802 1 475 . 1 . 1 42 42 LEU HG H 1 0.248 0.002 . 1 . . 647 . . 42 LEU HG . 26802 1 476 . 1 . 1 42 42 LEU HD11 H 1 0.471 0.002 . 1 . . 645 . . 42 LEU HD11 . 26802 1 477 . 1 . 1 42 42 LEU HD12 H 1 0.471 0.002 . 1 . . 645 . . 42 LEU HD12 . 26802 1 478 . 1 . 1 42 42 LEU HD13 H 1 0.471 0.002 . 1 . . 645 . . 42 LEU HD13 . 26802 1 479 . 1 . 1 42 42 LEU HD21 H 1 0.471 0.002 . 1 . . 646 . . 42 LEU HD21 . 26802 1 480 . 1 . 1 42 42 LEU HD22 H 1 0.471 0.002 . 1 . . 646 . . 42 LEU HD22 . 26802 1 481 . 1 . 1 42 42 LEU HD23 H 1 0.471 0.002 . 1 . . 646 . . 42 LEU HD23 . 26802 1 482 . 1 . 1 42 42 LEU C C 13 174.596 0.002 . 1 . . 440 . . 42 LEU C . 26802 1 483 . 1 . 1 42 42 LEU CA C 13 52.843 0.002 . 1 . . 238 . . 42 LEU CA . 26802 1 484 . 1 . 1 42 42 LEU CB C 13 45.291 0.002 . 1 . . 350 . . 42 LEU CB . 26802 1 485 . 1 . 1 42 42 LEU CG C 13 25.759 0.002 . 1 . . 351 . . 42 LEU CG . 26802 1 486 . 1 . 1 42 42 LEU CD1 C 13 22.544 0.002 . 1 . . 352 . . 42 LEU CD1 . 26802 1 487 . 1 . 1 42 42 LEU CD2 C 13 22.544 0.002 . 1 . . 353 . . 42 LEU CD2 . 26802 1 488 . 1 . 1 42 42 LEU N N 15 119.123 0.010 . 1 . . 84 . . 42 LEU N . 26802 1 489 . 1 . 1 43 43 GLU H H 1 8.057 0.002 . 1 . . 236 . . 43 GLU H . 26802 1 490 . 1 . 1 43 43 GLU HA H 1 4.566 0.002 . 1 . . 579 . . 43 GLU HA . 26802 1 491 . 1 . 1 43 43 GLU HB2 H 1 1.992 0.002 . 2 . . 741 . . 43 GLU HB2 . 26802 1 492 . 1 . 1 43 43 GLU HB3 H 1 1.713 0.002 . 2 . . 742 . . 43 GLU HB3 . 26802 1 493 . 1 . 1 43 43 GLU HG2 H 1 2.178 0.002 . 1 . . 581 . . 43 GLU HG2 . 26802 1 494 . 1 . 1 43 43 GLU HG3 H 1 2.178 0.002 . 1 . . 582 . . 43 GLU HG3 . 26802 1 495 . 1 . 1 43 43 GLU C C 13 175.249 0.002 . 1 . . 423 . . 43 GLU C . 26802 1 496 . 1 . 1 43 43 GLU CA C 13 54.009 0.002 . 1 . . 235 . . 43 GLU CA . 26802 1 497 . 1 . 1 43 43 GLU CB C 13 32.785 0.002 . 1 . . 740 . . 43 GLU CB . 26802 1 498 . 1 . 1 43 43 GLU CG C 13 35.985 0.002 . 1 . . 580 . . 43 GLU CG . 26802 1 499 . 1 . 1 43 43 GLU N N 15 118.078 0.010 . 1 . . 237 . . 43 GLU N . 26802 1 500 . 1 . 1 44 44 GLU H H 1 8.682 0.002 . 1 . . 234 . . 44 GLU H . 26802 1 501 . 1 . 1 44 44 GLU HA H 1 3.523 0.002 . 1 . . 658 . . 44 GLU HA . 26802 1 502 . 1 . 1 44 44 GLU HB2 H 1 1.995 0.002 . 2 . . 885 . . 44 GLU HB2 . 26802 1 503 . 1 . 1 44 44 GLU HB3 H 1 2.071 0.002 . 2 . . 886 . . 44 GLU HB3 . 26802 1 504 . 1 . 1 44 44 GLU HG2 H 1 2.494 0.002 . 2 . . 659 . . 44 GLU HG2 . 26802 1 505 . 1 . 1 44 44 GLU HG3 H 1 2.329 0.002 . 2 . . 660 . . 44 GLU HG3 . 26802 1 506 . 1 . 1 44 44 GLU C C 13 176.877 0.002 . 1 . . 443 . . 44 GLU C . 26802 1 507 . 1 . 1 44 44 GLU CA C 13 58.441 0.002 . 1 . . 232 . . 44 GLU CA . 26802 1 508 . 1 . 1 44 44 GLU CB C 13 29.752 0.002 . 1 . . 884 . . 44 GLU CB . 26802 1 509 . 1 . 1 44 44 GLU CG C 13 35.983 0.002 . 1 . . 657 . . 44 GLU CG . 26802 1 510 . 1 . 1 44 44 GLU N N 15 121.208 0.010 . 1 . . 233 . . 44 GLU N . 26802 1 511 . 1 . 1 45 45 ASN H H 1 8.988 0.002 . 1 . . 231 . . 45 ASN H . 26802 1 512 . 1 . 1 45 45 ASN HA H 1 4.245 0.002 . 1 . . 592 . . 45 ASN HA . 26802 1 513 . 1 . 1 45 45 ASN HB2 H 1 3.228 0.002 . 2 . . 593 . . 45 ASN HB2 . 26802 1 514 . 1 . 1 45 45 ASN HB3 H 1 3.032 0.002 . 2 . . 594 . . 45 ASN HB3 . 26802 1 515 . 1 . 1 45 45 ASN HD21 H 1 7.646 0.002 . 1 . . 822 . . 45 ASN HD21 . 26802 1 516 . 1 . 1 45 45 ASN HD22 H 1 7.041 0.002 . 1 . . 823 . . 45 ASN HD22 . 26802 1 517 . 1 . 1 45 45 ASN C C 13 174.159 0.002 . 1 . . 427 . . 45 ASN C . 26802 1 518 . 1 . 1 45 45 ASN CA C 13 55.657 0.002 . 1 . . 229 . . 45 ASN CA . 26802 1 519 . 1 . 1 45 45 ASN CB C 13 37.644 0.002 . 1 . . 332 . . 45 ASN CB . 26802 1 520 . 1 . 1 45 45 ASN CG C 13 177.933 0.002 . 1 . . 927 . . 45 ASN CG . 26802 1 521 . 1 . 1 45 45 ASN N N 15 116.476 0.010 . 1 . . 230 . . 45 ASN N . 26802 1 522 . 1 . 1 45 45 ASN ND2 N 15 114.251 0.010 . 1 . . 821 . . 45 ASN ND2 . 26802 1 523 . 1 . 1 46 46 GLN H H 1 7.863 0.002 . 1 . . 1 . . 46 GLN H . 26802 1 524 . 1 . 1 46 46 GLN HA H 1 4.213 0.002 . 1 . . 531 . . 46 GLN HA . 26802 1 525 . 1 . 1 46 46 GLN HB2 H 1 1.998 0.002 . 2 . . 534 . . 46 GLN HB2 . 26802 1 526 . 1 . 1 46 46 GLN HB3 H 1 2.095 0.002 . 2 . . 535 . . 46 GLN HB3 . 26802 1 527 . 1 . 1 46 46 GLN HG2 H 1 2.318 0.002 . 2 . . 532 . . 46 GLN HG2 . 26802 1 528 . 1 . 1 46 46 GLN HG3 H 1 2.398 0.002 . 2 . . 533 . . 46 GLN HG3 . 26802 1 529 . 1 . 1 46 46 GLN HE21 H 1 7.363 0.002 . 1 . . 890 . . 46 GLN HE21 . 26802 1 530 . 1 . 1 46 46 GLN HE22 H 1 6.646 0.002 . 1 . . 891 . . 46 GLN HE22 . 26802 1 531 . 1 . 1 46 46 GLN C C 13 175.796 0.002 . 1 . . 402 . . 46 GLN C . 26802 1 532 . 1 . 1 46 46 GLN CA C 13 56.896 0.002 . 1 . . 228 . . 46 GLN CA . 26802 1 533 . 1 . 1 46 46 GLN CB C 13 30.330 0.002 . 1 . . 883 . . 46 GLN CB . 26802 1 534 . 1 . 1 46 46 GLN CG C 13 34.055 0.002 . 1 . . 310 . . 46 GLN CG . 26802 1 535 . 1 . 1 46 46 GLN CD C 13 179.330 0.002 . 1 . . 935 . . 46 GLN CD . 26802 1 536 . 1 . 1 46 46 GLN N N 15 120.878 0.010 . 1 . . 2 . . 46 GLN N . 26802 1 537 . 1 . 1 46 46 GLN NE2 N 15 109.878 0.010 . 1 . . 889 . . 46 GLN NE2 . 26802 1 538 . 1 . 1 47 47 LYS H H 1 8.843 0.002 . 1 . . 227 . . 47 LYS H . 26802 1 539 . 1 . 1 47 47 LYS HA H 1 5.071 0.002 . 1 . . 668 . . 47 LYS HA . 26802 1 540 . 1 . 1 47 47 LYS HB2 H 1 1.852 0.002 . 1 . . 675 . . 47 LYS HB2 . 26802 1 541 . 1 . 1 47 47 LYS HB3 H 1 1.852 0.002 . 1 . . 676 . . 47 LYS HB3 . 26802 1 542 . 1 . 1 47 47 LYS HG2 H 1 1.621 0.002 . 2 . . 672 . . 47 LYS HG2 . 26802 1 543 . 1 . 1 47 47 LYS HG3 H 1 1.545 0.002 . 2 . . 674 . . 47 LYS HG3 . 26802 1 544 . 1 . 1 47 47 LYS HD2 H 1 1.705 0.002 . 1 . . 677 . . 47 LYS HD2 . 26802 1 545 . 1 . 1 47 47 LYS HD3 H 1 1.705 0.002 . 1 . . 678 . . 47 LYS HD3 . 26802 1 546 . 1 . 1 47 47 LYS HE2 H 1 2.955 0.002 . 2 . . 669 . . 47 LYS HE2 . 26802 1 547 . 1 . 1 47 47 LYS HE3 H 1 3.003 0.002 . 2 . . 670 . . 47 LYS HE3 . 26802 1 548 . 1 . 1 47 47 LYS C C 13 177.001 0.002 . 1 . . 450 . . 47 LYS C . 26802 1 549 . 1 . 1 47 47 LYS CA C 13 55.588 0.002 . 1 . . 225 . . 47 LYS CA . 26802 1 550 . 1 . 1 47 47 LYS CB C 13 32.539 0.002 . 1 . . 362 . . 47 LYS CB . 26802 1 551 . 1 . 1 47 47 LYS CG C 13 24.722 0.002 . 1 . . 364 . . 47 LYS CG . 26802 1 552 . 1 . 1 47 47 LYS CD C 13 28.557 0.002 . 1 . . 363 . . 47 LYS CD . 26802 1 553 . 1 . 1 47 47 LYS CE C 13 41.744 0.002 . 1 . . 361 . . 47 LYS CE . 26802 1 554 . 1 . 1 47 47 LYS N N 15 125.436 0.010 . 1 . . 226 . . 47 LYS N . 26802 1 555 . 1 . 1 48 48 VAL H H 1 8.649 0.002 . 1 . . 151 . . 48 VAL H . 26802 1 556 . 1 . 1 48 48 VAL HA H 1 5.129 0.002 . 1 . . 583 . . 48 VAL HA . 26802 1 557 . 1 . 1 48 48 VAL HB H 1 1.974 0.002 . 1 . . 584 . . 48 VAL HB . 26802 1 558 . 1 . 1 48 48 VAL HG11 H 1 0.493 0.002 . 2 . . 585 . . 48 VAL HG11 . 26802 1 559 . 1 . 1 48 48 VAL HG12 H 1 0.493 0.002 . 2 . . 585 . . 48 VAL HG12 . 26802 1 560 . 1 . 1 48 48 VAL HG13 H 1 0.493 0.002 . 2 . . 585 . . 48 VAL HG13 . 26802 1 561 . 1 . 1 48 48 VAL HG21 H 1 0.551 0.002 . 2 . . 586 . . 48 VAL HG21 . 26802 1 562 . 1 . 1 48 48 VAL HG22 H 1 0.551 0.002 . 2 . . 586 . . 48 VAL HG22 . 26802 1 563 . 1 . 1 48 48 VAL HG23 H 1 0.551 0.002 . 2 . . 586 . . 48 VAL HG23 . 26802 1 564 . 1 . 1 48 48 VAL C C 13 173.648 0.002 . 1 . . 424 . . 48 VAL C . 26802 1 565 . 1 . 1 48 48 VAL CA C 13 58.638 0.002 . 1 . . 224 . . 48 VAL CA . 26802 1 566 . 1 . 1 48 48 VAL CB C 13 36.768 0.002 . 1 . . 328 . . 48 VAL CB . 26802 1 567 . 1 . 1 48 48 VAL CG1 C 13 18.518 0.002 . 2 . . 330 . . 48 VAL CG1 . 26802 1 568 . 1 . 1 48 48 VAL CG2 C 13 22.918 0.002 . 2 . . 329 . . 48 VAL CG2 . 26802 1 569 . 1 . 1 48 48 VAL N N 15 114.955 0.010 . 1 . . 152 . . 48 VAL N . 26802 1 570 . 1 . 1 49 49 GLU H H 1 8.721 0.002 . 1 . . 69 . . 49 GLU H . 26802 1 571 . 1 . 1 49 49 GLU HA H 1 5.397 0.002 . 1 . . 638 . . 49 GLU HA . 26802 1 572 . 1 . 1 49 49 GLU HB2 H 1 1.824 0.002 . 2 . . 641 . . 49 GLU HB2 . 26802 1 573 . 1 . 1 49 49 GLU HB3 H 1 1.674 0.002 . 2 . . 642 . . 49 GLU HB3 . 26802 1 574 . 1 . 1 49 49 GLU HG2 H 1 2.316 0.002 . 1 . . 639 . . 49 GLU HG2 . 26802 1 575 . 1 . 1 49 49 GLU HG3 H 1 2.316 0.002 . 1 . . 640 . . 49 GLU HG3 . 26802 1 576 . 1 . 1 49 49 GLU C C 13 174.416 0.002 . 1 . . 438 . . 49 GLU C . 26802 1 577 . 1 . 1 49 49 GLU CA C 13 54.130 0.002 . 1 . . 223 . . 49 GLU CA . 26802 1 578 . 1 . 1 49 49 GLU CB C 13 33.260 0.002 . 1 . . 743 . . 49 GLU CB . 26802 1 579 . 1 . 1 49 49 GLU CG C 13 36.695 0.002 . 1 . . 637 . . 49 GLU CG . 26802 1 580 . 1 . 1 49 49 GLU N N 15 121.181 0.010 . 1 . . 70 . . 49 GLU N . 26802 1 581 . 1 . 1 50 50 PHE H H 1 8.387 0.002 . 1 . . 55 . . 50 PHE H . 26802 1 582 . 1 . 1 50 50 PHE HA H 1 5.039 0.002 . 1 . . 634 . . 50 PHE HA . 26802 1 583 . 1 . 1 50 50 PHE HB2 H 1 2.969 0.002 . 2 . . 635 . . 50 PHE HB2 . 26802 1 584 . 1 . 1 50 50 PHE HB3 H 1 3.021 0.002 . 2 . . 636 . . 50 PHE HB3 . 26802 1 585 . 1 . 1 50 50 PHE HD1 H 1 6.731 0.002 . 1 . . 805 . . 50 PHE HD1 . 26802 1 586 . 1 . 1 50 50 PHE HD2 H 1 6.731 0.002 . 1 . . 805 . . 50 PHE HD2 . 26802 1 587 . 1 . 1 50 50 PHE HE1 H 1 6.808 0.002 . 1 . . 804 . . 50 PHE HE1 . 26802 1 588 . 1 . 1 50 50 PHE HE2 H 1 6.808 0.002 . 1 . . 804 . . 50 PHE HE2 . 26802 1 589 . 1 . 1 50 50 PHE C C 13 172.260 0.002 . 1 . . 437 . . 50 PHE C . 26802 1 590 . 1 . 1 50 50 PHE CA C 13 56.207 0.002 . 1 . . 222 . . 50 PHE CA . 26802 1 591 . 1 . 1 50 50 PHE CB C 13 41.324 0.002 . 1 . . 348 . . 50 PHE CB . 26802 1 592 . 1 . 1 50 50 PHE CD1 C 13 132.242 0.002 . 1 . . 909 . . 50 PHE CD1 . 26802 1 593 . 1 . 1 50 50 PHE CD2 C 13 132.242 0.002 . 1 . . 909 . . 50 PHE CD2 . 26802 1 594 . 1 . 1 50 50 PHE CE1 C 13 130.296 0.002 . 1 . . 913 . . 50 PHE CE1 . 26802 1 595 . 1 . 1 50 50 PHE CE2 C 13 130.296 0.002 . 1 . . 913 . . 50 PHE CE2 . 26802 1 596 . 1 . 1 50 50 PHE N N 15 118.095 0.010 . 1 . . 56 . . 50 PHE N . 26802 1 597 . 1 . 1 51 51 GLU H H 1 8.788 0.002 . 1 . . 27 . . 51 GLU H . 26802 1 598 . 1 . 1 51 51 GLU HA H 1 4.659 0.002 . 1 . . 553 . . 51 GLU HA . 26802 1 599 . 1 . 1 51 51 GLU HB2 H 1 2.058 0.002 . 2 . . 556 . . 51 GLU HB2 . 26802 1 600 . 1 . 1 51 51 GLU HB3 H 1 1.662 0.002 . 2 . . 557 . . 51 GLU HB3 . 26802 1 601 . 1 . 1 51 51 GLU HG2 H 1 2.218 0.002 . 2 . . 554 . . 51 GLU HG2 . 26802 1 602 . 1 . 1 51 51 GLU HG3 H 1 2.294 0.002 . 2 . . 555 . . 51 GLU HG3 . 26802 1 603 . 1 . 1 51 51 GLU C C 13 175.898 0.002 . 1 . . 415 . . 51 GLU C . 26802 1 604 . 1 . 1 51 51 GLU CA C 13 53.738 0.002 . 1 . . 221 . . 51 GLU CA . 26802 1 605 . 1 . 1 51 51 GLU CB C 13 32.402 0.002 . 1 . . 744 . . 51 GLU CB . 26802 1 606 . 1 . 1 51 51 GLU CG C 13 35.682 0.002 . 1 . . 745 . . 51 GLU CG . 26802 1 607 . 1 . 1 51 51 GLU N N 15 118.362 0.010 . 1 . . 28 . . 51 GLU N . 26802 1 608 . 1 . 1 52 52 ILE H H 1 8.866 0.002 . 1 . . 159 . . 52 ILE H . 26802 1 609 . 1 . 1 52 52 ILE HA H 1 4.730 0.002 . 1 . . 730 . . 52 ILE HA . 26802 1 610 . 1 . 1 52 52 ILE HB H 1 1.790 0.002 . 1 . . 735 . . 52 ILE HB . 26802 1 611 . 1 . 1 52 52 ILE HG12 H 1 1.115 0.002 . 2 . . 792 . . 52 ILE HG12 . 26802 1 612 . 1 . 1 52 52 ILE HG13 H 1 1.650 0.002 . 2 . . 793 . . 52 ILE HG13 . 26802 1 613 . 1 . 1 52 52 ILE HG21 H 1 0.967 0.002 . 1 . . 732 . . 52 ILE HG21 . 26802 1 614 . 1 . 1 52 52 ILE HG22 H 1 0.967 0.002 . 1 . . 732 . . 52 ILE HG22 . 26802 1 615 . 1 . 1 52 52 ILE HG23 H 1 0.967 0.002 . 1 . . 732 . . 52 ILE HG23 . 26802 1 616 . 1 . 1 52 52 ILE HD11 H 1 0.973 0.002 . 1 . . 731 . . 52 ILE HD11 . 26802 1 617 . 1 . 1 52 52 ILE HD12 H 1 0.973 0.002 . 1 . . 731 . . 52 ILE HD12 . 26802 1 618 . 1 . 1 52 52 ILE HD13 H 1 0.973 0.002 . 1 . . 731 . . 52 ILE HD13 . 26802 1 619 . 1 . 1 52 52 ILE C C 13 176.372 0.002 . 1 . . 446 . . 52 ILE C . 26802 1 620 . 1 . 1 52 52 ILE CA C 13 61.249 0.002 . 1 . . 220 . . 52 ILE CA . 26802 1 621 . 1 . 1 52 52 ILE CB C 13 39.062 0.002 . 1 . . 357 . . 52 ILE CB . 26802 1 622 . 1 . 1 52 52 ILE CG1 C 13 28.903 0.002 . 1 . . 358 . . 52 ILE CG1 . 26802 1 623 . 1 . 1 52 52 ILE CG2 C 13 18.182 0.002 . 1 . . 359 . . 52 ILE CG2 . 26802 1 624 . 1 . 1 52 52 ILE CD1 C 13 13.350 0.002 . 1 . . 360 . . 52 ILE CD1 . 26802 1 625 . 1 . 1 52 52 ILE N N 15 122.657 0.010 . 1 . . 160 . . 52 ILE N . 26802 1 626 . 1 . 1 53 53 GLY H H 1 8.988 0.002 . 1 . . 248 . . 53 GLY H . 26802 1 627 . 1 . 1 53 53 GLY HA2 H 1 4.576 0.002 . 2 . . 577 . . 53 GLY HA2 . 26802 1 628 . 1 . 1 53 53 GLY HA3 H 1 3.683 0.002 . 2 . . 578 . . 53 GLY HA3 . 26802 1 629 . 1 . 1 53 53 GLY C C 13 172.831 0.002 . 1 . . 422 . . 53 GLY C . 26802 1 630 . 1 . 1 53 53 GLY CA C 13 43.800 0.002 . 1 . . 246 . . 53 GLY CA . 26802 1 631 . 1 . 1 53 53 GLY N N 15 116.052 0.010 . 1 . . 247 . . 53 GLY N . 26802 1 632 . 1 . 1 54 54 GLU H H 1 8.547 0.002 . 1 . . 251 . . 54 GLU H . 26802 1 633 . 1 . 1 54 54 GLU HA H 1 4.449 0.002 . 1 . . 683 . . 54 GLU HA . 26802 1 634 . 1 . 1 54 54 GLU HB2 H 1 1.965 0.002 . 2 . . 748 . . 54 GLU HB2 . 26802 1 635 . 1 . 1 54 54 GLU HB3 H 1 1.873 0.002 . 2 . . 749 . . 54 GLU HB3 . 26802 1 636 . 1 . 1 54 54 GLU HG2 H 1 2.202 0.002 . 1 . . 685 . . 54 GLU HG2 . 26802 1 637 . 1 . 1 54 54 GLU HG3 H 1 2.202 0.002 . 1 . . 686 . . 54 GLU HG3 . 26802 1 638 . 1 . 1 54 54 GLU C C 13 176.232 0.002 . 1 . . 454 . . 54 GLU C . 26802 1 639 . 1 . 1 54 54 GLU CA C 13 56.279 0.002 . 1 . . 249 . . 54 GLU CA . 26802 1 640 . 1 . 1 54 54 GLU CB C 13 31.093 0.002 . 1 . . 747 . . 54 GLU CB . 26802 1 641 . 1 . 1 54 54 GLU CG C 13 35.854 0.002 . 1 . . 684 . . 54 GLU CG . 26802 1 642 . 1 . 1 54 54 GLU N N 15 121.175 0.010 . 1 . . 250 . . 54 GLU N . 26802 1 643 . 1 . 1 55 55 GLY H H 1 7.956 0.002 . 1 . . 254 . . 55 GLY H . 26802 1 644 . 1 . 1 55 55 GLY HA2 H 1 4.409 0.002 . 2 . . 539 . . 55 GLY HA2 . 26802 1 645 . 1 . 1 55 55 GLY HA3 H 1 3.769 0.002 . 2 . . 540 . . 55 GLY HA3 . 26802 1 646 . 1 . 1 55 55 GLY C C 13 174.530 0.002 . 1 . . 410 . . 55 GLY C . 26802 1 647 . 1 . 1 55 55 GLY CA C 13 44.300 0.002 . 1 . . 252 . . 55 GLY CA . 26802 1 648 . 1 . 1 55 55 GLY N N 15 112.622 0.010 . 1 . . 253 . . 55 GLY N . 26802 1 649 . 1 . 1 56 56 ALA H H 1 8.628 0.002 . 1 . . 181 . . 56 ALA H . 26802 1 650 . 1 . 1 56 56 ALA HA H 1 4.071 0.002 . 1 . . 679 . . 56 ALA HA . 26802 1 651 . 1 . 1 56 56 ALA HB1 H 1 1.361 0.002 . 1 . . 680 . . 56 ALA HB1 . 26802 1 652 . 1 . 1 56 56 ALA HB2 H 1 1.361 0.002 . 1 . . 680 . . 56 ALA HB2 . 26802 1 653 . 1 . 1 56 56 ALA HB3 H 1 1.361 0.002 . 1 . . 680 . . 56 ALA HB3 . 26802 1 654 . 1 . 1 56 56 ALA C C 13 179.252 0.002 . 1 . . 451 . . 56 ALA C . 26802 1 655 . 1 . 1 56 56 ALA CA C 13 54.738 0.002 . 1 . . 255 . . 56 ALA CA . 26802 1 656 . 1 . 1 56 56 ALA CB C 13 18.749 0.002 . 1 . . 365 . . 56 ALA CB . 26802 1 657 . 1 . 1 56 56 ALA N N 15 123.693 0.010 . 1 . . 182 . . 56 ALA N . 26802 1 658 . 1 . 1 57 57 LYS H H 1 8.365 0.002 . 1 . . 171 . . 57 LYS H . 26802 1 659 . 1 . 1 57 57 LYS HA H 1 4.414 0.002 . 1 . . 519 . . 57 LYS HA . 26802 1 660 . 1 . 1 57 57 LYS HB2 H 1 1.791 0.002 . 2 . . 523 . . 57 LYS HB2 . 26802 1 661 . 1 . 1 57 57 LYS HB3 H 1 1.369 0.002 . 2 . . 794 . . 57 LYS HB3 . 26802 1 662 . 1 . 1 57 57 LYS HG2 H 1 1.125 0.002 . 1 . . 526 . . 57 LYS HG2 . 26802 1 663 . 1 . 1 57 57 LYS HG3 H 1 1.125 0.002 . 1 . . 527 . . 57 LYS HG3 . 26802 1 664 . 1 . 1 57 57 LYS HD2 H 1 1.358 0.002 . 2 . . 524 . . 57 LYS HD2 . 26802 1 665 . 1 . 1 57 57 LYS HD3 H 1 1.420 0.002 . 2 . . 525 . . 57 LYS HD3 . 26802 1 666 . 1 . 1 57 57 LYS HE2 H 1 2.770 0.002 . 1 . . 520 . . 57 LYS HE2 . 26802 1 667 . 1 . 1 57 57 LYS HE3 H 1 2.770 0.002 . 1 . . 521 . . 57 LYS HE3 . 26802 1 668 . 1 . 1 57 57 LYS C C 13 175.920 0.002 . 1 . . 462 . . 57 LYS C . 26802 1 669 . 1 . 1 57 57 LYS CA C 13 54.860 0.002 . 1 . . 256 . . 57 LYS CA . 26802 1 670 . 1 . 1 57 57 LYS CB C 13 32.122 0.002 . 1 . . 384 . . 57 LYS CB . 26802 1 671 . 1 . 1 57 57 LYS CG C 13 24.690 0.002 . 1 . . 386 . . 57 LYS CG . 26802 1 672 . 1 . 1 57 57 LYS CD C 13 28.655 0.002 . 1 . . 385 . . 57 LYS CD . 26802 1 673 . 1 . 1 57 57 LYS CE C 13 42.002 0.002 . 1 . . 383 . . 57 LYS CE . 26802 1 674 . 1 . 1 57 57 LYS N N 15 114.813 0.010 . 1 . . 172 . . 57 LYS N . 26802 1 675 . 1 . 1 58 58 GLY H H 1 7.431 0.002 . 1 . . 161 . . 58 GLY H . 26802 1 676 . 1 . 1 58 58 GLY HA2 H 1 4.532 0.002 . 2 . . 878 . . 58 GLY HA2 . 26802 1 677 . 1 . 1 58 58 GLY HA3 H 1 3.861 0.002 . 2 . . 879 . . 58 GLY HA3 . 26802 1 678 . 1 . 1 58 58 GLY CA C 13 44.150 0.002 . 1 . . 277 . . 58 GLY CA . 26802 1 679 . 1 . 1 58 58 GLY N N 15 108.794 0.010 . 1 . . 162 . . 58 GLY N . 26802 1 680 . 1 . 1 59 59 PRO HA H 1 4.828 0.002 . 1 . . 512 . . 59 PRO HA . 26802 1 681 . 1 . 1 59 59 PRO HB2 H 1 2.338 0.002 . 2 . . 515 . . 59 PRO HB2 . 26802 1 682 . 1 . 1 59 59 PRO HB3 H 1 1.914 0.002 . 2 . . 516 . . 59 PRO HB3 . 26802 1 683 . 1 . 1 59 59 PRO HG2 H 1 2.173 0.002 . 2 . . 517 . . 59 PRO HG2 . 26802 1 684 . 1 . 1 59 59 PRO HG3 H 1 2.085 0.002 . 2 . . 518 . . 59 PRO HG3 . 26802 1 685 . 1 . 1 59 59 PRO HD2 H 1 3.726 0.002 . 1 . . 513 . . 59 PRO HD2 . 26802 1 686 . 1 . 1 59 59 PRO HD3 H 1 3.726 0.002 . 1 . . 514 . . 59 PRO HD3 . 26802 1 687 . 1 . 1 59 59 PRO C C 13 176.825 0.002 . 1 . . 430 . . 59 PRO C . 26802 1 688 . 1 . 1 59 59 PRO CA C 13 63.151 0.002 . 1 . . 202 . . 59 PRO CA . 26802 1 689 . 1 . 1 59 59 PRO CB C 13 32.522 0.002 . 1 . . 341 . . 59 PRO CB . 26802 1 690 . 1 . 1 59 59 PRO CG C 13 27.627 0.002 . 1 . . 342 . . 59 PRO CG . 26802 1 691 . 1 . 1 59 59 PRO CD C 13 49.837 0.002 . 1 . . 340 . . 59 PRO CD . 26802 1 692 . 1 . 1 60 60 GLN H H 1 8.832 0.002 . 1 . . 49 . . 60 GLN H . 26802 1 693 . 1 . 1 60 60 GLN HA H 1 5.275 0.002 . 1 . . 750 . . 60 GLN HA . 26802 1 694 . 1 . 1 60 60 GLN HB2 H 1 2.121 0.002 . 1 . . 769 . . 60 GLN HB2 . 26802 1 695 . 1 . 1 60 60 GLN HB3 H 1 2.121 0.002 . 1 . . 770 . . 60 GLN HB3 . 26802 1 696 . 1 . 1 60 60 GLN HG2 H 1 2.222 0.002 . 1 . . 771 . . 60 GLN HG2 . 26802 1 697 . 1 . 1 60 60 GLN HG3 H 1 2.222 0.002 . 1 . . 772 . . 60 GLN HG3 . 26802 1 698 . 1 . 1 60 60 GLN HE21 H 1 7.614 0.002 . 1 . . 923 . . 60 GLN HE21 . 26802 1 699 . 1 . 1 60 60 GLN HE22 H 1 6.896 0.002 . 1 . . 925 . . 60 GLN HE22 . 26802 1 700 . 1 . 1 60 60 GLN C C 13 173.441 0.002 . 1 . . 405 . . 60 GLN C . 26802 1 701 . 1 . 1 60 60 GLN CA C 13 53.647 0.002 . 1 . . 201 . . 60 GLN CA . 26802 1 702 . 1 . 1 60 60 GLN CB C 13 32.185 0.002 . 1 . . 768 . . 60 GLN CB . 26802 1 703 . 1 . 1 60 60 GLN CG C 13 32.171 0.002 . 1 . . 315 . . 60 GLN CG . 26802 1 704 . 1 . 1 60 60 GLN CD C 13 180.393 0.002 . 1 . . 930 . . 60 GLN CD . 26802 1 705 . 1 . 1 60 60 GLN N N 15 119.574 0.010 . 1 . . 50 . . 60 GLN N . 26802 1 706 . 1 . 1 60 60 GLN NE2 N 15 112.318 0.010 . 1 . . 924 . . 60 GLN NE2 . 26802 1 707 . 1 . 1 61 61 ALA H H 1 9.012 0.002 . 1 . . 31 . . 61 ALA H . 26802 1 708 . 1 . 1 61 61 ALA HA H 1 4.765 0.002 . 1 . . 632 . . 61 ALA HA . 26802 1 709 . 1 . 1 61 61 ALA HB1 H 1 0.784 0.002 . 1 . . 633 . . 61 ALA HB1 . 26802 1 710 . 1 . 1 61 61 ALA HB2 H 1 0.784 0.002 . 1 . . 633 . . 61 ALA HB2 . 26802 1 711 . 1 . 1 61 61 ALA HB3 H 1 0.784 0.002 . 1 . . 633 . . 61 ALA HB3 . 26802 1 712 . 1 . 1 61 61 ALA C C 13 176.198 0.002 . 1 . . 435 . . 61 ALA C . 26802 1 713 . 1 . 1 61 61 ALA CA C 13 51.145 0.002 . 1 . . 200 . . 61 ALA CA . 26802 1 714 . 1 . 1 61 61 ALA CB C 13 20.141 0.002 . 1 . . 345 . . 61 ALA CB . 26802 1 715 . 1 . 1 61 61 ALA N N 15 124.760 0.010 . 1 . . 32 . . 61 ALA N . 26802 1 716 . 1 . 1 62 62 GLN H H 1 9.294 0.002 . 1 . . 5 . . 62 GLN H . 26802 1 717 . 1 . 1 62 62 GLN HA H 1 4.772 0.002 . 1 . . 627 . . 62 GLN HA . 26802 1 718 . 1 . 1 62 62 GLN HB2 H 1 1.794 0.002 . 2 . . 630 . . 62 GLN HB2 . 26802 1 719 . 1 . 1 62 62 GLN HB3 H 1 2.053 0.002 . 2 . . 796 . . 62 GLN HB3 . 26802 1 720 . 1 . 1 62 62 GLN HG2 H 1 2.145 0.002 . 2 . . 628 . . 62 GLN HG2 . 26802 1 721 . 1 . 1 62 62 GLN HG3 H 1 2.197 0.002 . 2 . . 629 . . 62 GLN HG3 . 26802 1 722 . 1 . 1 62 62 GLN HE21 H 1 7.317 0.002 . 1 . . 824 . . 62 GLN HE21 . 26802 1 723 . 1 . 1 62 62 GLN HE22 H 1 6.829 0.002 . 1 . . 826 . . 62 GLN HE22 . 26802 1 724 . 1 . 1 62 62 GLN C C 13 174.905 0.002 . 1 . . 436 . . 62 GLN C . 26802 1 725 . 1 . 1 62 62 GLN CA C 13 53.610 0.002 . 1 . . 273 . . 62 GLN CA . 26802 1 726 . 1 . 1 62 62 GLN CB C 13 32.607 0.002 . 1 . . 795 . . 62 GLN CB . 26802 1 727 . 1 . 1 62 62 GLN CG C 13 34.570 0.002 . 1 . . 346 . . 62 GLN CG . 26802 1 728 . 1 . 1 62 62 GLN CD C 13 179.838 0.002 . 1 . . 934 . . 62 GLN CD . 26802 1 729 . 1 . 1 62 62 GLN N N 15 118.746 0.010 . 1 . . 6 . . 62 GLN N . 26802 1 730 . 1 . 1 62 62 GLN NE2 N 15 110.282 0.010 . 1 . . 825 . . 62 GLN NE2 . 26802 1 731 . 1 . 1 63 63 GLN H H 1 9.446 0.002 . 1 . . 3 . . 63 GLN H . 26802 1 732 . 1 . 1 63 63 GLN HA H 1 3.785 0.002 . 1 . . 612 . . 63 GLN HA . 26802 1 733 . 1 . 1 63 63 GLN HB2 H 1 2.142 0.002 . 2 . . 617 . . 63 GLN HB2 . 26802 1 734 . 1 . 1 63 63 GLN HB3 H 1 2.187 0.002 . 2 . . 618 . . 63 GLN HB3 . 26802 1 735 . 1 . 1 63 63 GLN HG2 H 1 2.347 0.002 . 1 . . 615 . . 63 GLN HG2 . 26802 1 736 . 1 . 1 63 63 GLN HG3 H 1 2.347 0.002 . 1 . . 616 . . 63 GLN HG3 . 26802 1 737 . 1 . 1 63 63 GLN HE21 H 1 7.807 0.002 . 1 . . 921 . . 63 GLN HE21 . 26802 1 738 . 1 . 1 63 63 GLN HE22 H 1 6.788 0.002 . 1 . . 922 . . 63 GLN HE22 . 26802 1 739 . 1 . 1 63 63 GLN C C 13 174.836 0.002 . 1 . . 433 . . 63 GLN C . 26802 1 740 . 1 . 1 63 63 GLN CA C 13 56.480 0.002 . 1 . . 272 . . 63 GLN CA . 26802 1 741 . 1 . 1 63 63 GLN CB C 13 26.765 0.002 . 1 . . 614 . . 63 GLN CB . 26802 1 742 . 1 . 1 63 63 GLN CG C 13 34.226 0.002 . 1 . . 613 . . 63 GLN CG . 26802 1 743 . 1 . 1 63 63 GLN CD C 13 180.983 0.002 . 1 . . 928 . . 63 GLN CD . 26802 1 744 . 1 . 1 63 63 GLN N N 15 118.823 0.010 . 1 . . 4 . . 63 GLN N . 26802 1 745 . 1 . 1 63 63 GLN NE2 N 15 113.319 0.010 . 1 . . 920 . . 63 GLN NE2 . 26802 1 746 . 1 . 1 64 64 VAL H H 1 8.291 0.002 . 1 . . 77 . . 64 VAL H . 26802 1 747 . 1 . 1 64 64 VAL HA H 1 4.464 0.002 . 1 . . 544 . . 64 VAL HA . 26802 1 748 . 1 . 1 64 64 VAL HB H 1 1.798 0.002 . 1 . . 545 . . 64 VAL HB . 26802 1 749 . 1 . 1 64 64 VAL HG11 H 1 0.635 0.002 . 2 . . 546 . . 64 VAL HG11 . 26802 1 750 . 1 . 1 64 64 VAL HG12 H 1 0.635 0.002 . 2 . . 546 . . 64 VAL HG12 . 26802 1 751 . 1 . 1 64 64 VAL HG13 H 1 0.635 0.002 . 2 . . 546 . . 64 VAL HG13 . 26802 1 752 . 1 . 1 64 64 VAL HG21 H 1 0.632 0.002 . 2 . . 547 . . 64 VAL HG21 . 26802 1 753 . 1 . 1 64 64 VAL HG22 H 1 0.632 0.002 . 2 . . 547 . . 64 VAL HG22 . 26802 1 754 . 1 . 1 64 64 VAL HG23 H 1 0.632 0.002 . 2 . . 547 . . 64 VAL HG23 . 26802 1 755 . 1 . 1 64 64 VAL C C 13 175.838 0.002 . 1 . . 413 . . 64 VAL C . 26802 1 756 . 1 . 1 64 64 VAL CA C 13 62.751 0.002 . 1 . . 195 . . 64 VAL CA . 26802 1 757 . 1 . 1 64 64 VAL CB C 13 32.167 0.002 . 1 . . 319 . . 64 VAL CB . 26802 1 758 . 1 . 1 64 64 VAL CG1 C 13 21.736 0.002 . 2 . . 320 . . 64 VAL CG1 . 26802 1 759 . 1 . 1 64 64 VAL CG2 C 13 22.349 0.002 . 2 . . 321 . . 64 VAL CG2 . 26802 1 760 . 1 . 1 64 64 VAL N N 15 119.141 0.010 . 1 . . 78 . . 64 VAL N . 26802 1 761 . 1 . 1 65 65 HIS H H 1 9.099 0.002 . 1 . . 135 . . 65 HIS H . 26802 1 762 . 1 . 1 65 65 HIS HA H 1 5.061 0.002 . 1 . . 528 . . 65 HIS HA . 26802 1 763 . 1 . 1 65 65 HIS HB2 H 1 3.182 0.002 . 2 . . 529 . . 65 HIS HB2 . 26802 1 764 . 1 . 1 65 65 HIS HB3 H 1 3.247 0.002 . 2 . . 530 . . 65 HIS HB3 . 26802 1 765 . 1 . 1 65 65 HIS HD2 H 1 7.235 0.002 . 1 . . 816 . . 65 HIS HD2 . 26802 1 766 . 1 . 1 65 65 HIS C C 13 173.450 0.002 . 1 . . 403 . . 65 HIS C . 26802 1 767 . 1 . 1 65 65 HIS CA C 13 53.679 0.002 . 1 . . 194 . . 65 HIS CA . 26802 1 768 . 1 . 1 65 65 HIS CB C 13 31.431 0.002 . 1 . . 311 . . 65 HIS CB . 26802 1 769 . 1 . 1 65 65 HIS CD2 C 13 120.964 0.002 . 1 . . 900 . . 65 HIS CD2 . 26802 1 770 . 1 . 1 65 65 HIS N N 15 123.199 0.010 . 1 . . 136 . . 65 HIS N . 26802 1 771 . 1 . 1 66 66 ALA H H 1 8.865 0.002 . 1 . . 43 . . 66 ALA H . 26802 1 772 . 1 . 1 66 66 ALA HA H 1 4.472 0.002 . 1 . . 548 . . 66 ALA HA . 26802 1 773 . 1 . 1 66 66 ALA HB1 H 1 1.341 0.002 . 1 . . 549 . . 66 ALA HB1 . 26802 1 774 . 1 . 1 66 66 ALA HB2 H 1 1.341 0.002 . 1 . . 549 . . 66 ALA HB2 . 26802 1 775 . 1 . 1 66 66 ALA HB3 H 1 1.341 0.002 . 1 . . 549 . . 66 ALA HB3 . 26802 1 776 . 1 . 1 66 66 ALA C C 13 177.454 0.002 . 1 . . 412 . . 66 ALA C . 26802 1 777 . 1 . 1 66 66 ALA CA C 13 52.486 0.002 . 1 . . 193 . . 66 ALA CA . 26802 1 778 . 1 . 1 66 66 ALA CB C 13 19.015 0.002 . 1 . . 318 . . 66 ALA CB . 26802 1 779 . 1 . 1 66 66 ALA N N 15 125.243 0.010 . 1 . . 44 . . 66 ALA N . 26802 1 780 . 1 . 1 67 67 LEU H H 1 8.203 0.002 . 1 . . 177 . . 67 LEU H . 26802 1 781 . 1 . 1 67 67 LEU HA H 1 4.417 0.002 . 1 . . 699 . . 67 LEU HA . 26802 1 782 . 1 . 1 67 67 LEU HB2 H 1 1.561 0.002 . 2 . . 702 . . 67 LEU HB2 . 26802 1 783 . 1 . 1 67 67 LEU HB3 H 1 1.424 0.002 . 2 . . 703 . . 67 LEU HB3 . 26802 1 784 . 1 . 1 67 67 LEU HG H 1 1.554 0.002 . 1 . . 704 . . 67 LEU HG . 26802 1 785 . 1 . 1 67 67 LEU HD11 H 1 0.828 0.002 . 2 . . 700 . . 67 LEU HD11 . 26802 1 786 . 1 . 1 67 67 LEU HD12 H 1 0.828 0.002 . 2 . . 700 . . 67 LEU HD12 . 26802 1 787 . 1 . 1 67 67 LEU HD13 H 1 0.828 0.002 . 2 . . 700 . . 67 LEU HD13 . 26802 1 788 . 1 . 1 67 67 LEU HD21 H 1 0.828 0.002 . 2 . . 701 . . 67 LEU HD21 . 26802 1 789 . 1 . 1 67 67 LEU HD22 H 1 0.828 0.002 . 2 . . 701 . . 67 LEU HD22 . 26802 1 790 . 1 . 1 67 67 LEU HD23 H 1 0.828 0.002 . 2 . . 701 . . 67 LEU HD23 . 26802 1 791 . 1 . 1 67 67 LEU C C 13 177.703 0.002 . 1 . . 457 . . 67 LEU C . 26802 1 792 . 1 . 1 67 67 LEU CA C 13 54.925 0.002 . 1 . . 274 . . 67 LEU CA . 26802 1 793 . 1 . 1 67 67 LEU CB C 13 42.713 0.002 . 1 . . 373 . . 67 LEU CB . 26802 1 794 . 1 . 1 67 67 LEU CG C 13 27.249 0.002 . 1 . . 374 . . 67 LEU CG . 26802 1 795 . 1 . 1 67 67 LEU CD1 C 13 23.689 0.002 . 2 . . 376 . . 67 LEU CD1 . 26802 1 796 . 1 . 1 67 67 LEU CD2 C 13 25.308 0.002 . 2 . . 375 . . 67 LEU CD2 . 26802 1 797 . 1 . 1 67 67 LEU N N 15 123.349 0.010 . 1 . . 178 . . 67 LEU N . 26802 1 798 . 1 . 1 68 68 GLY H H 1 8.630 0.002 . 1 . . 167 . . 68 GLY H . 26802 1 799 . 1 . 1 68 68 GLY HA2 H 1 4.005 0.002 . 1 . . 712 . . 68 GLY HA2 . 26802 1 800 . 1 . 1 68 68 GLY HA3 H 1 4.005 0.002 . 1 . . 713 . . 68 GLY HA3 . 26802 1 801 . 1 . 1 68 68 GLY C C 13 174.560 0.002 . 1 . . 460 . . 68 GLY C . 26802 1 802 . 1 . 1 68 68 GLY CA C 13 45.301 0.002 . 1 . . 275 . . 68 GLY CA . 26802 1 803 . 1 . 1 68 68 GLY N N 15 110.678 0.010 . 1 . . 168 . . 68 GLY N . 26802 1 804 . 1 . 1 69 69 GLY H H 1 8.318 0.002 . 1 . . 169 . . 69 GLY H . 26802 1 805 . 1 . 1 69 69 GLY HA2 H 1 3.973 0.002 . 1 . . 590 . . 69 GLY HA2 . 26802 1 806 . 1 . 1 69 69 GLY HA3 H 1 3.973 0.002 . 1 . . 591 . . 69 GLY HA3 . 26802 1 807 . 1 . 1 69 69 GLY C C 13 174.375 0.002 . 1 . . 426 . . 69 GLY C . 26802 1 808 . 1 . 1 69 69 GLY CA C 13 45.342 0.002 . 1 . . 219 . . 69 GLY CA . 26802 1 809 . 1 . 1 69 69 GLY N N 15 108.672 0.010 . 1 . . 170 . . 69 GLY N . 26802 1 810 . 1 . 1 70 70 GLU H H 1 8.578 0.002 . 1 . . 11 . . 70 GLU H . 26802 1 811 . 1 . 1 70 70 GLU HA H 1 4.227 0.002 . 1 . . 619 . . 70 GLU HA . 26802 1 812 . 1 . 1 70 70 GLU HB2 H 1 1.925 0.002 . 2 . . 624 . . 70 GLU HB2 . 26802 1 813 . 1 . 1 70 70 GLU HB3 H 1 2.020 0.002 . 2 . . 625 . . 70 GLU HB3 . 26802 1 814 . 1 . 1 70 70 GLU HG2 H 1 2.243 0.002 . 1 . . 621 . . 70 GLU HG2 . 26802 1 815 . 1 . 1 70 70 GLU HG3 H 1 2.243 0.002 . 1 . . 622 . . 70 GLU HG3 . 26802 1 816 . 1 . 1 70 70 GLU C C 13 176.368 0.002 . 1 . . 434 . . 70 GLU C . 26802 1 817 . 1 . 1 70 70 GLU CA C 13 56.980 0.002 . 1 . . 276 . . 70 GLU CA . 26802 1 818 . 1 . 1 70 70 GLU CB C 13 30.149 0.002 . 1 . . 623 . . 70 GLU CB . 26802 1 819 . 1 . 1 70 70 GLU CG C 13 36.271 0.002 . 1 . . 620 . . 70 GLU CG . 26802 1 820 . 1 . 1 70 70 GLU N N 15 120.740 0.010 . 1 . . 12 . . 70 GLU N . 26802 1 821 . 1 . 1 71 71 ASN H H 1 8.476 0.002 . 1 . . 91 . . 71 ASN H . 26802 1 822 . 1 . 1 71 71 ASN HA H 1 4.625 0.002 . 1 . . 564 . . 71 ASN HA . 26802 1 823 . 1 . 1 71 71 ASN HB2 H 1 2.705 0.002 . 2 . . 565 . . 71 ASN HB2 . 26802 1 824 . 1 . 1 71 71 ASN HB3 H 1 2.771 0.002 . 2 . . 566 . . 71 ASN HB3 . 26802 1 825 . 1 . 1 71 71 ASN HD21 H 1 7.583 0.002 . 1 . . 846 . . 71 ASN HD21 . 26802 1 826 . 1 . 1 71 71 ASN HD22 H 1 6.918 0.002 . 1 . . 848 . . 71 ASN HD22 . 26802 1 827 . 1 . 1 71 71 ASN C C 13 175.133 0.002 . 1 . . 418 . . 71 ASN C . 26802 1 828 . 1 . 1 71 71 ASN CA C 13 53.413 0.002 . 1 . . 279 . . 71 ASN CA . 26802 1 829 . 1 . 1 71 71 ASN CB C 13 38.733 0.002 . 1 . . 322 . . 71 ASN CB . 26802 1 830 . 1 . 1 71 71 ASN CG C 13 177.047 0.002 . 1 . . 936 . . 71 ASN CG . 26802 1 831 . 1 . 1 71 71 ASN N N 15 119.036 0.010 . 1 . . 92 . . 71 ASN N . 26802 1 832 . 1 . 1 71 71 ASN ND2 N 15 113.051 0.010 . 1 . . 847 . . 71 ASN ND2 . 26802 1 833 . 1 . 1 72 72 LEU H H 1 8.068 0.002 . 1 . . 163 . . 72 LEU H . 26802 1 834 . 1 . 1 72 72 LEU HA H 1 4.183 0.002 . 1 . . 600 . . 72 LEU HA . 26802 1 835 . 1 . 1 72 72 LEU HB2 H 1 1.444 0.002 . 2 . . 603 . . 72 LEU HB2 . 26802 1 836 . 1 . 1 72 72 LEU HB3 H 1 1.317 0.002 . 2 . . 604 . . 72 LEU HB3 . 26802 1 837 . 1 . 1 72 72 LEU HG H 1 1.443 0.002 . 1 . . 605 . . 72 LEU HG . 26802 1 838 . 1 . 1 72 72 LEU HD11 H 1 0.765 0.002 . 2 . . 601 . . 72 LEU HD11 . 26802 1 839 . 1 . 1 72 72 LEU HD12 H 1 0.765 0.002 . 2 . . 601 . . 72 LEU HD12 . 26802 1 840 . 1 . 1 72 72 LEU HD13 H 1 0.765 0.002 . 2 . . 601 . . 72 LEU HD13 . 26802 1 841 . 1 . 1 72 72 LEU HD21 H 1 0.834 0.002 . 2 . . 602 . . 72 LEU HD21 . 26802 1 842 . 1 . 1 72 72 LEU HD22 H 1 0.834 0.002 . 2 . . 602 . . 72 LEU HD22 . 26802 1 843 . 1 . 1 72 72 LEU HD23 H 1 0.834 0.002 . 2 . . 602 . . 72 LEU HD23 . 26802 1 844 . 1 . 1 72 72 LEU C C 13 177.081 0.002 . 1 . . 431 . . 72 LEU C . 26802 1 845 . 1 . 1 72 72 LEU CA C 13 55.568 0.002 . 1 . . 280 . . 72 LEU CA . 26802 1 846 . 1 . 1 72 72 LEU CB C 13 42.200 0.002 . 1 . . 336 . . 72 LEU CB . 26802 1 847 . 1 . 1 72 72 LEU CG C 13 26.866 0.002 . 1 . . 337 . . 72 LEU CG . 26802 1 848 . 1 . 1 72 72 LEU CD1 C 13 23.332 0.002 . 2 . . 339 . . 72 LEU CD1 . 26802 1 849 . 1 . 1 72 72 LEU CD2 C 13 24.957 0.002 . 2 . . 338 . . 72 LEU CD2 . 26802 1 850 . 1 . 1 72 72 LEU N N 15 122.073 0.010 . 1 . . 164 . . 72 LEU N . 26802 1 851 . 1 . 1 73 73 TYR H H 1 8.023 0.002 . 1 . . 65 . . 73 TYR H . 26802 1 852 . 1 . 1 73 73 TYR HA H 1 4.468 0.002 . 1 . . 572 . . 73 TYR HA . 26802 1 853 . 1 . 1 73 73 TYR HB2 H 1 2.822 0.002 . 2 . . 573 . . 73 TYR HB2 . 26802 1 854 . 1 . 1 73 73 TYR HB3 H 1 2.905 0.002 . 2 . . 574 . . 73 TYR HB3 . 26802 1 855 . 1 . 1 73 73 TYR HD1 H 1 6.935 0.002 . 1 . . 803 . . 73 TYR HD1 . 26802 1 856 . 1 . 1 73 73 TYR HD2 H 1 6.935 0.002 . 1 . . 803 . . 73 TYR HD2 . 26802 1 857 . 1 . 1 73 73 TYR HE1 H 1 6.718 0.002 . 1 . . 802 . . 73 TYR HE1 . 26802 1 858 . 1 . 1 73 73 TYR HE2 H 1 6.718 0.002 . 1 . . 802 . . 73 TYR HE2 . 26802 1 859 . 1 . 1 73 73 TYR C C 13 175.689 0.002 . 1 . . 420 . . 73 TYR C . 26802 1 860 . 1 . 1 73 73 TYR CA C 13 57.936 0.002 . 1 . . 281 . . 73 TYR CA . 26802 1 861 . 1 . 1 73 73 TYR CB C 13 38.597 0.002 . 1 . . 327 . . 73 TYR CB . 26802 1 862 . 1 . 1 73 73 TYR CD1 C 13 133.080 0.002 . 1 . . 902 . . 73 TYR CD1 . 26802 1 863 . 1 . 1 73 73 TYR CD2 C 13 133.080 0.002 . 1 . . 902 . . 73 TYR CD2 . 26802 1 864 . 1 . 1 73 73 TYR CE1 C 13 118.171 0.002 . 1 . . 901 . . 73 TYR CE1 . 26802 1 865 . 1 . 1 73 73 TYR CE2 C 13 118.171 0.002 . 1 . . 901 . . 73 TYR CE2 . 26802 1 866 . 1 . 1 73 73 TYR N N 15 119.652 0.010 . 1 . . 66 . . 73 TYR N . 26802 1 867 . 1 . 1 74 74 PHE H H 1 8.021 0.002 . 1 . . 143 . . 74 PHE H . 26802 1 868 . 1 . 1 74 74 PHE HA H 1 4.506 0.002 . 1 . . 561 . . 74 PHE HA . 26802 1 869 . 1 . 1 74 74 PHE HB2 H 1 2.966 0.002 . 2 . . 562 . . 74 PHE HB2 . 26802 1 870 . 1 . 1 74 74 PHE HB3 H 1 3.027 0.002 . 2 . . 563 . . 74 PHE HB3 . 26802 1 871 . 1 . 1 74 74 PHE HD1 H 1 7.148 0.002 . 1 . . 813 . . 74 PHE HD1 . 26802 1 872 . 1 . 1 74 74 PHE HD2 H 1 7.148 0.002 . 1 . . 813 . . 74 PHE HD2 . 26802 1 873 . 1 . 1 74 74 PHE HE1 H 1 7.249 0.002 . 1 . . 812 . . 74 PHE HE1 . 26802 1 874 . 1 . 1 74 74 PHE HE2 H 1 7.249 0.002 . 1 . . 812 . . 74 PHE HE2 . 26802 1 875 . 1 . 1 74 74 PHE C C 13 175.562 0.002 . 1 . . 417 . . 74 PHE C . 26802 1 876 . 1 . 1 74 74 PHE CA C 13 57.821 0.002 . 1 . . 282 . . 74 PHE CA . 26802 1 877 . 1 . 1 74 74 PHE CB C 13 39.512 0.002 . 1 . . 323 . . 74 PHE CB . 26802 1 878 . 1 . 1 74 74 PHE CD1 C 13 131.768 0.002 . 1 . . 912 . . 74 PHE CD1 . 26802 1 879 . 1 . 1 74 74 PHE CD2 C 13 131.768 0.002 . 1 . . 912 . . 74 PHE CD2 . 26802 1 880 . 1 . 1 74 74 PHE N N 15 121.297 0.010 . 1 . . 144 . . 74 PHE N . 26802 1 881 . 1 . 1 75 75 GLN H H 1 8.250 0.002 . 1 . . 175 . . 75 GLN H . 26802 1 882 . 1 . 1 75 75 GLN HA H 1 4.192 0.002 . 1 . . 723 . . 75 GLN HA . 26802 1 883 . 1 . 1 75 75 GLN HB2 H 1 1.867 0.002 . 2 . . 754 . . 75 GLN HB2 . 26802 1 884 . 1 . 1 75 75 GLN HB3 H 1 2.038 0.002 . 2 . . 755 . . 75 GLN HB3 . 26802 1 885 . 1 . 1 75 75 GLN HG2 H 1 2.243 0.002 . 1 . . 736 . . 75 GLN HG2 . 26802 1 886 . 1 . 1 75 75 GLN HG3 H 1 2.243 0.002 . 1 . . 737 . . 75 GLN HG3 . 26802 1 887 . 1 . 1 75 75 GLN HE21 H 1 7.443 0.002 . 1 . . 840 . . 75 GLN HE21 . 26802 1 888 . 1 . 1 75 75 GLN HE22 H 1 6.841 0.002 . 1 . . 842 . . 75 GLN HE22 . 26802 1 889 . 1 . 1 75 75 GLN C C 13 176.094 0.002 . 1 . . 461 . . 75 GLN C . 26802 1 890 . 1 . 1 75 75 GLN CA C 13 56.073 0.002 . 1 . . 283 . . 75 GLN CA . 26802 1 891 . 1 . 1 75 75 GLN CB C 13 29.241 0.002 . 1 . . 753 . . 75 GLN CB . 26802 1 892 . 1 . 1 75 75 GLN CG C 13 33.797 0.002 . 1 . . 751 . . 75 GLN CG . 26802 1 893 . 1 . 1 75 75 GLN CD C 13 180.387 0.002 . 1 . . 932 . . 75 GLN CD . 26802 1 894 . 1 . 1 75 75 GLN N N 15 121.998 0.010 . 1 . . 176 . . 75 GLN N . 26802 1 895 . 1 . 1 75 75 GLN NE2 N 15 112.301 0.010 . 1 . . 841 . . 75 GLN NE2 . 26802 1 896 . 1 . 1 76 76 GLY H H 1 7.819 0.002 . 1 . . 173 . . 76 GLY H . 26802 1 897 . 1 . 1 76 76 GLY HA2 H 1 3.747 0.002 . 1 . . 798 . . 76 GLY HA2 . 26802 1 898 . 1 . 1 76 76 GLY HA3 H 1 3.747 0.002 . 1 . . 799 . . 76 GLY HA3 . 26802 1 899 . 1 . 1 76 76 GLY CA C 13 46.134 0.002 . 1 . . 797 . . 76 GLY CA . 26802 1 900 . 1 . 1 76 76 GLY N N 15 108.658 0.010 . 1 . . 174 . . 76 GLY N . 26802 1 stop_ save_