################################### # 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 17166 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Structure _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 $15N13C isotropic 17166 1 2 '3D HNCA' 1 $15N13C isotropic 17166 1 3 '3D HNCACB' 1 $15N13C isotropic 17166 1 4 'CBCACONH (H[N[co[{CA|ca[C]}]]])' 1 $15N13C isotropic 17166 1 5 '3D HN(CO)CA' 1 $15N13C isotropic 17166 1 6 '3D HNCO' 1 $15N13C isotropic 17166 1 7 '3D HCCH-TOCSY' 1 $15N13C isotropic 17166 1 8 '3D HCCH-COSY' 1 $15N13C isotropic 17166 1 9 '2D 1H-13C HSQC/HMQC' 1 $15N13C isotropic 17166 1 11 'C_TOCSY (hC_CH.TOCSY)' 1 $15N13C isotropic 17166 1 13 '3D 1H-13C NOESY' 2 $15N13C_d2o isotropic 17166 1 15 '2D 1H-13C HSQC/HMQC' 2 $15N13C_d2o isotropic 17166 1 17 '3D 1H-15N NOESY' 1 $15N13C isotropic 17166 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 3 $CcpNmr_Analysis . . 17166 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.793 0.039 . 1 . 1008 . . 1 MET HA . 17166 1 2 . 1 1 1 1 MET HB2 H 1 2.126 0.007 . 1 . 1014 . . 1 MET HB2 . 17166 1 3 . 1 1 1 1 MET HB3 H 1 2.041 0.01 . 1 . 1015 . . 1 MET HB3 . 17166 1 4 . 1 1 1 1 MET HG2 H 1 2.567 0.005 . 1 . 1011 . . 1 MET HG2 . 17166 1 5 . 1 1 1 1 MET HG3 H 1 2.567 0.006 . 1 . 1013 . . 1 MET HG3 . 17166 1 6 . 1 1 1 1 MET CA C 13 57.013 0.1 . 1 . 1009 . . 1 MET CA . 17166 1 7 . 1 1 1 1 MET CB C 13 35.917 0.094 . 1 . 1012 . . 1 MET CB . 17166 1 8 . 1 1 1 1 MET CG C 13 31.635 0.057 . 1 . 1010 . . 1 MET CG . 17166 1 9 . 1 1 2 2 ILE HA H 1 5.301 0.012 . 1 . 522 . . 2 ILE HA . 17166 1 10 . 1 1 2 2 ILE HB H 1 1.666 0.01 . 1 . 687 . . 2 ILE HB . 17166 1 11 . 1 1 2 2 ILE HD11 H 1 0.837 0.013 . 1 . 725 . . 2 ILE HD11 . 17166 1 12 . 1 1 2 2 ILE HD12 H 1 0.837 0.013 . 1 . 725 . . 2 ILE HD12 . 17166 1 13 . 1 1 2 2 ILE HD13 H 1 0.837 0.013 . 1 . 725 . . 2 ILE HD13 . 17166 1 14 . 1 1 2 2 ILE HG12 H 1 1.737 0.006 . 1 . 726 . . 2 ILE HG12 . 17166 1 15 . 1 1 2 2 ILE HG13 H 1 1.032 0.011 . 1 . 724 . . 2 ILE HG13 . 17166 1 16 . 1 1 2 2 ILE HG21 H 1 0.844 0.012 . 1 . 723 . . 2 ILE HG21 . 17166 1 17 . 1 1 2 2 ILE HG22 H 1 0.844 0.012 . 1 . 723 . . 2 ILE HG22 . 17166 1 18 . 1 1 2 2 ILE HG23 H 1 0.844 0.012 . 1 . 723 . . 2 ILE HG23 . 17166 1 19 . 1 1 2 2 ILE C C 13 175.500 0.030 . 1 . 945 . . 2 ILE C . 17166 1 20 . 1 1 2 2 ILE CA C 13 60.252 0.093 . 1 . 378 . . 2 ILE CA . 17166 1 21 . 1 1 2 2 ILE CB C 13 42.126 0.05 . 1 . 944 . . 2 ILE CB . 17166 1 22 . 1 1 2 2 ILE CD1 C 13 15.261 0.071 . 1 . 580 . . 2 ILE CD1 . 17166 1 23 . 1 1 2 2 ILE CG1 C 13 28.068 0.031 . 1 . 579 . . 2 ILE CG1 . 17166 1 24 . 1 1 2 2 ILE CG2 C 13 18.552 0.093 . 1 . 417 . . 2 ILE CG2 . 17166 1 25 . 1 1 3 3 GLN H H 1 9.176 0.007 . 1 . 35 . . 3 GLN H . 17166 1 26 . 1 1 3 3 GLN HA H 1 4.896 0.017 . 1 . 545 . . 3 GLN HA . 17166 1 27 . 1 1 3 3 GLN HB2 H 1 2.069 0.014 . 1 . 948 . . 3 GLN HB2 . 17166 1 28 . 1 1 3 3 GLN HB3 H 1 2.163 0.023 . 1 . 946 . . 3 GLN HB3 . 17166 1 29 . 1 1 3 3 GLN HG2 H 1 2.430 0.006 . 1 . 669 . . 3 GLN HG2 . 17166 1 30 . 1 1 3 3 GLN HG3 H 1 2.349 0.007 . 1 . 670 . . 3 GLN HG3 . 17166 1 31 . 1 1 3 3 GLN C C 13 173.824 0.066 . 1 . 784 . . 3 GLN C . 17166 1 32 . 1 1 3 3 GLN CA C 13 54.734 0.079 . 1 . 273 . . 3 GLN CA . 17166 1 33 . 1 1 3 3 GLN CB C 13 33.850 0.155 . 1 . 274 . . 3 GLN CB . 17166 1 34 . 1 1 3 3 GLN CG C 13 34.395 0.095 . 1 . 947 . . 3 GLN CG . 17166 1 35 . 1 1 3 3 GLN N N 15 125.625 0.028 . 1 . 36 . . 3 GLN N . 17166 1 36 . 1 1 4 4 VAL H H 1 8.940 0.005 . 1 . 63 . . 4 VAL H . 17166 1 37 . 1 1 4 4 VAL HA H 1 5.394 0.007 . 1 . 713 . . 4 VAL HA . 17166 1 38 . 1 1 4 4 VAL HB H 1 1.944 0.012 . 1 . 716 . . 4 VAL HB . 17166 1 39 . 1 1 4 4 VAL HG11 H 1 0.903 0.01 . 1 . 539 . . 4 VAL HG11 . 17166 1 40 . 1 1 4 4 VAL HG12 H 1 0.903 0.01 . 1 . 539 . . 4 VAL HG12 . 17166 1 41 . 1 1 4 4 VAL HG13 H 1 0.903 0.01 . 1 . 539 . . 4 VAL HG13 . 17166 1 42 . 1 1 4 4 VAL HG21 H 1 0.850 0.011 . 1 . 540 . . 4 VAL HG21 . 17166 1 43 . 1 1 4 4 VAL HG22 H 1 0.850 0.011 . 1 . 540 . . 4 VAL HG22 . 17166 1 44 . 1 1 4 4 VAL HG23 H 1 0.850 0.011 . 1 . 540 . . 4 VAL HG23 . 17166 1 45 . 1 1 4 4 VAL C C 13 174.565 0.015 . 1 . 779 . . 4 VAL C . 17166 1 46 . 1 1 4 4 VAL CA C 13 60.166 0.092 . 1 . 271 . . 4 VAL CA . 17166 1 47 . 1 1 4 4 VAL CB C 13 34.455 0.064 . 1 . 272 . . 4 VAL CB . 17166 1 48 . 1 1 4 4 VAL CG1 C 13 23.808 0.072 . 1 . 714 . . 4 VAL CG1 . 17166 1 49 . 1 1 4 4 VAL CG2 C 13 20.989 0.135 . 1 . 715 . . 4 VAL CG2 . 17166 1 50 . 1 1 4 4 VAL N N 15 123.684 0.031 . 1 . 64 . . 4 VAL N . 17166 1 51 . 1 1 5 5 TYR H H 1 8.754 0.016 . 1 . 235 . . 5 TYR H . 17166 1 52 . 1 1 5 5 TYR HA H 1 5.310 0.013 . 1 . 450 . . 5 TYR HA . 17166 1 53 . 1 1 5 5 TYR HB2 H 1 3.600 0.021 . 1 . 451 . . 5 TYR HB2 . 17166 1 54 . 1 1 5 5 TYR HB3 H 1 3.084 0.018 . 1 . 452 . . 5 TYR HB3 . 17166 1 55 . 1 1 5 5 TYR HD1 H 1 7.126 0.009 . 3 . 1115 . . 5 TYR HD1 . 17166 1 56 . 1 1 5 5 TYR HD2 H 1 7.126 0.009 . 3 . 1115 . . 5 TYR HD2 . 17166 1 57 . 1 1 5 5 TYR HE1 H 1 6.691 0.004 . 3 . 1116 . . 5 TYR HE1 . 17166 1 58 . 1 1 5 5 TYR HE2 H 1 6.691 0.004 . 3 . 1116 . . 5 TYR HE2 . 17166 1 59 . 1 1 5 5 TYR C C 13 174.110 0.006 . 1 . 778 . . 5 TYR C . 17166 1 60 . 1 1 5 5 TYR CA C 13 56.195 0.074 . 1 . 269 . . 5 TYR CA . 17166 1 61 . 1 1 5 5 TYR CB C 13 41.082 0.084 . 1 . 270 . . 5 TYR CB . 17166 1 62 . 1 1 5 5 TYR CD1 C 13 133.668 0.125 . 3 . 1118 . . 5 TYR CD1 . 17166 1 63 . 1 1 5 5 TYR CD2 C 13 133.668 0.125 . 3 . 1118 . . 5 TYR CD2 . 17166 1 64 . 1 1 5 5 TYR CE1 C 13 117.424 0.118 . 3 . 1117 . . 5 TYR CE1 . 17166 1 65 . 1 1 5 5 TYR CE2 C 13 117.424 0.118 . 3 . 1117 . . 5 TYR CE2 . 17166 1 66 . 1 1 5 5 TYR N N 15 122.532 0.046 . 1 . 236 . . 5 TYR N . 17166 1 67 . 1 1 6 6 SER H H 1 9.191 0.009 . 1 . 125 . . 6 SER H . 17166 1 68 . 1 1 6 6 SER HA H 1 5.223 0.017 . 1 . 548 . . 6 SER HA . 17166 1 69 . 1 1 6 6 SER HB2 H 1 3.678 0.019 . 1 . 561 . . 6 SER HB2 . 17166 1 70 . 1 1 6 6 SER HB3 H 1 4.442 0.01 . 1 . 562 . . 6 SER HB3 . 17166 1 71 . 1 1 6 6 SER C C 13 174.918 0.030 . 1 . 832 . . 6 SER C . 17166 1 72 . 1 1 6 6 SER CA C 13 56.878 0.081 . 1 . 267 . . 6 SER CA . 17166 1 73 . 1 1 6 6 SER CB C 13 64.987 0.025 . 1 . 268 . . 6 SER CB . 17166 1 74 . 1 1 6 6 SER N N 15 115.402 0.079 . 1 . 126 . . 6 SER N . 17166 1 75 . 1 1 7 7 ARG H H 1 9.089 0.013 . 1 . 61 . . 7 ARG H . 17166 1 76 . 1 1 7 7 ARG HA H 1 3.823 0.009 . 1 . 648 . . 7 ARG HA . 17166 1 77 . 1 1 7 7 ARG HB2 H 1 1.945 0.01 . 1 . 652 . . 7 ARG HB2 . 17166 1 78 . 1 1 7 7 ARG HB3 H 1 1.706 0.013 . 1 . 653 . . 7 ARG HB3 . 17166 1 79 . 1 1 7 7 ARG HD2 H 1 3.021 0.004 . 1 . 453 . . 7 ARG HD2 . 17166 1 80 . 1 1 7 7 ARG HD3 H 1 2.749 0.012 . 1 . 651 . . 7 ARG HD3 . 17166 1 81 . 1 1 7 7 ARG HG2 H 1 1.391 0.009 . 1 . 654 . . 7 ARG HG2 . 17166 1 82 . 1 1 7 7 ARG HG3 H 1 0.881 0.01 . 1 . 655 . . 7 ARG HG3 . 17166 1 83 . 1 1 7 7 ARG C C 13 175.505 0.005 . 1 . 819 . . 7 ARG C . 17166 1 84 . 1 1 7 7 ARG CA C 13 59.343 0.062 . 1 . 265 . . 7 ARG CA . 17166 1 85 . 1 1 7 7 ARG CB C 13 33.279 0.032 . 1 . 266 . . 7 ARG CB . 17166 1 86 . 1 1 7 7 ARG CD C 13 43.847 0.042 . 1 . 649 . . 7 ARG CD . 17166 1 87 . 1 1 7 7 ARG CG C 13 25.400 0.003 . 1 . 650 . . 7 ARG CG . 17166 1 88 . 1 1 7 7 ARG N N 15 123.652 0.031 . 1 . 62 . . 7 ARG N . 17166 1 89 . 1 1 8 8 HIS H H 1 8.389 0.014 . 1 . 127 . . 8 HIS H . 17166 1 90 . 1 1 8 8 HIS HA H 1 5.329 0.011 . 1 . 577 . . 8 HIS HA . 17166 1 91 . 1 1 8 8 HIS HB2 H 1 3.210 0.011 . 1 . 681 . . 8 HIS HB2 . 17166 1 92 . 1 1 8 8 HIS HB3 H 1 2.883 0.011 . 1 . 682 . . 8 HIS HB3 . 17166 1 93 . 1 1 8 8 HIS HD2 H 1 6.970 0.041 . 1 . 768 . . 8 HIS HD2 . 17166 1 94 . 1 1 8 8 HIS C C 13 174.577 0.030 . 1 . 990 . . 8 HIS C . 17166 1 95 . 1 1 8 8 HIS CA C 13 52.487 0.123 . 1 . 263 . . 8 HIS CA . 17166 1 96 . 1 1 8 8 HIS CB C 13 30.505 0.079 . 1 . 264 . . 8 HIS CB . 17166 1 97 . 1 1 8 8 HIS CD2 C 13 119.471 0.216 . 1 . 769 . . 8 HIS CD2 . 17166 1 98 . 1 1 8 8 HIS N N 15 114.911 0.051 . 1 . 128 . . 8 HIS N . 17166 1 99 . 1 1 9 9 PRO HA H 1 4.525 0.01 . 1 . 507 . . 9 PRO HA . 17166 1 100 . 1 1 9 9 PRO HB2 H 1 2.427 0.008 . 1 . 508 . . 9 PRO HB2 . 17166 1 101 . 1 1 9 9 PRO HB3 H 1 1.935 0.008 . 1 . 996 . . 9 PRO HB3 . 17166 1 102 . 1 1 9 9 PRO HD2 H 1 3.783 0.008 . 1 . 589 . . 9 PRO HD2 . 17166 1 103 . 1 1 9 9 PRO HD3 H 1 4.086 0.01 . 1 . 624 . . 9 PRO HD3 . 17166 1 104 . 1 1 9 9 PRO HG2 H 1 2.237 0.007 . 1 . 997 . . 9 PRO HG2 . 17166 1 105 . 1 1 9 9 PRO HG3 H 1 2.086 0.009 . 1 . 998 . . 9 PRO HG3 . 17166 1 106 . 1 1 9 9 PRO C C 13 176.963 0.024 . 1 . 829 . . 9 PRO C . 17166 1 107 . 1 1 9 9 PRO CA C 13 64.209 0.067 . 1 . 408 . . 9 PRO CA . 17166 1 108 . 1 1 9 9 PRO CB C 13 31.435 0.088 . 1 . 409 . . 9 PRO CB . 17166 1 109 . 1 1 9 9 PRO CD C 13 50.833 0.131 . 1 . 567 . . 9 PRO CD . 17166 1 110 . 1 1 9 9 PRO CG C 13 28.195 0.086 . 1 . 410 . . 9 PRO CG . 17166 1 111 . 1 1 9 9 PRO N N 15 108.524 0.047 . 1 . 1123 . . 9 PRO N . 17166 1 112 . 1 1 10 10 ALA H H 1 9.161 0.011 . 1 . 25 . . 10 ALA H . 17166 1 113 . 1 1 10 10 ALA HA H 1 4.066 0.007 . 1 . 631 . . 10 ALA HA . 17166 1 114 . 1 1 10 10 ALA HB1 H 1 1.719 0.011 . 1 . 526 . . 10 ALA HB1 . 17166 1 115 . 1 1 10 10 ALA HB2 H 1 1.719 0.011 . 1 . 526 . . 10 ALA HB2 . 17166 1 116 . 1 1 10 10 ALA HB3 H 1 1.719 0.011 . 1 . 526 . . 10 ALA HB3 . 17166 1 117 . 1 1 10 10 ALA C C 13 176.949 0.033 . 1 . 830 . . 10 ALA C . 17166 1 118 . 1 1 10 10 ALA CA C 13 53.304 0.08 . 1 . 157 . . 10 ALA CA . 17166 1 119 . 1 1 10 10 ALA CB C 13 19.932 0.113 . 1 . 158 . . 10 ALA CB . 17166 1 120 . 1 1 10 10 ALA N N 15 127.359 0.073 . 1 . 26 . . 10 ALA N . 17166 1 121 . 1 1 11 11 GLU H H 1 9.048 0.012 . 1 . 45 . . 11 GLU H . 17166 1 122 . 1 1 11 11 GLU HA H 1 4.402 0.017 . 1 . 544 . . 11 GLU HA . 17166 1 123 . 1 1 11 11 GLU HB2 H 1 1.850 0.007 . 1 . 740 . . 11 GLU HB2 . 17166 1 124 . 1 1 11 11 GLU HB3 H 1 1.850 0.01 . 1 . 741 . . 11 GLU HB3 . 17166 1 125 . 1 1 11 11 GLU HG2 H 1 2.167 0.008 . 1 . 644 . . 11 GLU HG2 . 17166 1 126 . 1 1 11 11 GLU HG3 H 1 2.125 0.013 . 1 . 645 . . 11 GLU HG3 . 17166 1 127 . 1 1 11 11 GLU C C 13 175.178 0.011 . 1 . 852 . . 11 GLU C . 17166 1 128 . 1 1 11 11 GLU CA C 13 55.115 0.071 . 1 . 154 . . 11 GLU CA . 17166 1 129 . 1 1 11 11 GLU CB C 13 32.674 0.117 . 1 . 156 . . 11 GLU CB . 17166 1 130 . 1 1 11 11 GLU CG C 13 36.347 0.056 . 1 . 431 . . 11 GLU CG . 17166 1 131 . 1 1 11 11 GLU N N 15 124.791 0.06 . 1 . 46 . . 11 GLU N . 17166 1 132 . 1 1 12 12 ASN H H 1 8.903 0.012 . 1 . 67 . . 12 ASN H . 17166 1 133 . 1 1 12 12 ASN HA H 1 4.509 0.01 . 1 . 435 . . 12 ASN HA . 17166 1 134 . 1 1 12 12 ASN HB2 H 1 2.787 0.008 . 1 . 436 . . 12 ASN HB2 . 17166 1 135 . 1 1 12 12 ASN HB3 H 1 2.669 0.011 . 1 . 437 . . 12 ASN HB3 . 17166 1 136 . 1 1 12 12 ASN HD21 H 1 7.259 0.004 . 1 . 1133 . . 12 ASN HD21 . 17166 1 137 . 1 1 12 12 ASN HD22 H 1 7.626 0.004 . 1 . 1135 . . 12 ASN HD22 . 17166 1 138 . 1 1 12 12 ASN C C 13 177.510 0.030 . 1 . 851 . . 12 ASN C . 17166 1 139 . 1 1 12 12 ASN CA C 13 54.316 0.081 . 1 . 657 . . 12 ASN CA . 17166 1 140 . 1 1 12 12 ASN CB C 13 37.074 0.071 . 1 . 155 . . 12 ASN CB . 17166 1 141 . 1 1 12 12 ASN N N 15 123.388 0.044 . 1 . 68 . . 12 ASN N . 17166 1 142 . 1 1 12 12 ASN ND2 N 15 112.369 0.01 . 1 . 1134 . . 12 ASN ND2 . 17166 1 143 . 1 1 13 13 GLY H H 1 8.957 0.012 . 1 . 143 . . 13 GLY H . 17166 1 144 . 1 1 13 13 GLY HA2 H 1 4.198 0.016 . 1 . 485 . . 13 GLY HA2 . 17166 1 145 . 1 1 13 13 GLY HA3 H 1 3.524 0.018 . 1 . 486 . . 13 GLY HA3 . 17166 1 146 . 1 1 13 13 GLY C C 13 173.397 0.030 . 1 . 960 . . 13 GLY C . 17166 1 147 . 1 1 13 13 GLY CA C 13 45.341 0.097 . 1 . 153 . . 13 GLY CA . 17166 1 148 . 1 1 13 13 GLY N N 15 109.176 0.105 . 1 . 144 . . 13 GLY N . 17166 1 149 . 1 1 14 14 LYS H H 1 7.965 0.011 . 1 . 87 . . 14 LYS H . 17166 1 150 . 1 1 14 14 LYS HA H 1 4.679 0.011 . 1 . 463 . . 14 LYS HA . 17166 1 151 . 1 1 14 14 LYS HB2 H 1 1.819 0.012 . 1 . 617 . . 14 LYS HB2 . 17166 1 152 . 1 1 14 14 LYS HB3 H 1 1.762 0.005 . 1 . 618 . . 14 LYS HB3 . 17166 1 153 . 1 1 14 14 LYS HD2 H 1 1.578 0.021 . 1 . 615 . . 14 LYS HD2 . 17166 1 154 . 1 1 14 14 LYS HD3 H 1 1.621 0.013 . 1 . 616 . . 14 LYS HD3 . 17166 1 155 . 1 1 14 14 LYS HE2 H 1 2.927 0.013 . 1 . 464 . . 14 LYS HE2 . 17166 1 156 . 1 1 14 14 LYS HE3 H 1 2.930 0.013 . 1 . 465 . . 14 LYS HE3 . 17166 1 157 . 1 1 14 14 LYS HG2 H 1 1.328 0.015 . 1 . 613 . . 14 LYS HG2 . 17166 1 158 . 1 1 14 14 LYS HG3 H 1 1.306 0.022 . 1 . 614 . . 14 LYS HG3 . 17166 1 159 . 1 1 14 14 LYS C C 13 175.351 0.030 . 1 . 964 . . 14 LYS C . 17166 1 160 . 1 1 14 14 LYS CA C 13 54.317 0.045 . 1 . 194 . . 14 LYS CA . 17166 1 161 . 1 1 14 14 LYS CB C 13 33.593 0.073 . 1 . 195 . . 14 LYS CB . 17166 1 162 . 1 1 14 14 LYS CD C 13 28.724 0.049 . 1 . 391 . . 14 LYS CD . 17166 1 163 . 1 1 14 14 LYS CE C 13 42.087 0.076 . 1 . 763 . . 14 LYS CE . 17166 1 164 . 1 1 14 14 LYS CG C 13 24.689 0.137 . 1 . 392 . . 14 LYS CG . 17166 1 165 . 1 1 14 14 LYS N N 15 121.474 0.023 . 1 . 88 . . 14 LYS N . 17166 1 166 . 1 1 15 15 SER H H 1 8.477 0.01 . 1 . 101 . . 15 SER H . 17166 1 167 . 1 1 15 15 SER HA H 1 4.231 0.011 . 1 . 516 . . 15 SER HA . 17166 1 168 . 1 1 15 15 SER HB2 H 1 3.703 0.005 . 1 . 517 . . 15 SER HB2 . 17166 1 169 . 1 1 15 15 SER HB3 H 1 3.746 0.008 . 1 . 518 . . 15 SER HB3 . 17166 1 170 . 1 1 15 15 SER HG H 1 1.899 0.030 . 1 . 1197 . . 15 SER HG . 17166 1 171 . 1 1 15 15 SER C C 13 173.432 0.012 . 1 . 854 . . 15 SER C . 17166 1 172 . 1 1 15 15 SER CA C 13 59.858 0.052 . 1 . 196 . . 15 SER CA . 17166 1 173 . 1 1 15 15 SER CB C 13 63.034 0.05 . 1 . 197 . . 15 SER CB . 17166 1 174 . 1 1 15 15 SER N N 15 120.163 0.041 . 1 . 102 . . 15 SER N . 17166 1 175 . 1 1 16 16 ASN H H 1 8.975 0.012 . 1 . 23 . . 16 ASN H . 17166 1 176 . 1 1 16 16 ASN HA H 1 4.872 0.009 . 1 . 476 . . 16 ASN HA . 17166 1 177 . 1 1 16 16 ASN HB2 H 1 2.743 0.009 . 1 . 609 . . 16 ASN HB2 . 17166 1 178 . 1 1 16 16 ASN HB3 H 1 2.536 0.013 . 1 . 610 . . 16 ASN HB3 . 17166 1 179 . 1 1 16 16 ASN HD21 H 1 7.512 0.013 . 1 . 1136 . . 16 ASN HD21 . 17166 1 180 . 1 1 16 16 ASN HD22 H 1 7.861 0.009 . 1 . 1138 . . 16 ASN HD22 . 17166 1 181 . 1 1 16 16 ASN C C 13 173.803 0.030 . 1 . 853 . . 16 ASN C . 17166 1 182 . 1 1 16 16 ASN CA C 13 51.242 0.07 . 1 . 255 . . 16 ASN CA . 17166 1 183 . 1 1 16 16 ASN CB C 13 42.132 0.064 . 1 . 256 . . 16 ASN CB . 17166 1 184 . 1 1 16 16 ASN N N 15 127.405 0.052 . 1 . 24 . . 16 ASN N . 17166 1 185 . 1 1 16 16 ASN ND2 N 15 112.235 0.047 . 1 . 1137 . . 16 ASN ND2 . 17166 1 186 . 1 1 17 17 PHE H H 1 10.528 0.012 . 1 . 227 . . 17 PHE H . 17166 1 187 . 1 1 17 17 PHE HA H 1 5.424 0.014 . 1 . 519 . . 17 PHE HA . 17166 1 188 . 1 1 17 17 PHE HB2 H 1 2.657 0.016 . 1 . 520 . . 17 PHE HB2 . 17166 1 189 . 1 1 17 17 PHE HB3 H 1 2.646 0.022 . 1 . 521 . . 17 PHE HB3 . 17166 1 190 . 1 1 17 17 PHE HD1 H 1 7.023 0.014 . 3 . 1161 . . 17 PHE HD1 . 17166 1 191 . 1 1 17 17 PHE HD2 H 1 7.023 0.014 . 3 . 1161 . . 17 PHE HD2 . 17166 1 192 . 1 1 17 17 PHE HE1 H 1 7.091 0.016 . 3 . 1173 . . 17 PHE HE1 . 17166 1 193 . 1 1 17 17 PHE HE2 H 1 7.091 0.016 . 3 . 1173 . . 17 PHE HE2 . 17166 1 194 . 1 1 17 17 PHE HZ H 1 7.376 0.013 . 1 . 1174 . . 17 PHE HZ . 17166 1 195 . 1 1 17 17 PHE C C 13 173.350 0.012 . 1 . 874 . . 17 PHE C . 17166 1 196 . 1 1 17 17 PHE CA C 13 57.738 0.085 . 1 . 257 . . 17 PHE CA . 17166 1 197 . 1 1 17 17 PHE CB C 13 43.383 0.067 . 1 . 318 . . 17 PHE CB . 17166 1 198 . 1 1 17 17 PHE CZ C 13 129.847 0.030 . 1 . 1120 . . 17 PHE CZ . 17166 1 199 . 1 1 17 17 PHE N N 15 119.867 0.05 . 1 . 228 . . 17 PHE N . 17166 1 200 . 1 1 18 18 LEU H H 1 9.067 0.012 . 1 . 29 . . 18 LEU H . 17166 1 201 . 1 1 18 18 LEU HA H 1 3.683 0.009 . 1 . 629 . . 18 LEU HA . 17166 1 202 . 1 1 18 18 LEU HB2 H 1 0.944 0.01 . 1 . 630 . . 18 LEU HB2 . 17166 1 203 . 1 1 18 18 LEU HB3 H 1 -0.744 0.008 . 1 . 869 . . 18 LEU HB3 . 17166 1 204 . 1 1 18 18 LEU HD11 H 1 -0.602 0.007 . 1 . 871 . . 18 LEU HD11 . 17166 1 205 . 1 1 18 18 LEU HD12 H 1 -0.602 0.007 . 1 . 871 . . 18 LEU HD12 . 17166 1 206 . 1 1 18 18 LEU HD13 H 1 -0.602 0.007 . 1 . 871 . . 18 LEU HD13 . 17166 1 207 . 1 1 18 18 LEU HD21 H 1 0.642 0.013 . 1 . 872 . . 18 LEU HD21 . 17166 1 208 . 1 1 18 18 LEU HD22 H 1 0.642 0.013 . 1 . 872 . . 18 LEU HD22 . 17166 1 209 . 1 1 18 18 LEU HD23 H 1 0.642 0.013 . 1 . 872 . . 18 LEU HD23 . 17166 1 210 . 1 1 18 18 LEU HG H 1 0.043 0.01 . 1 . 870 . . 18 LEU HG . 17166 1 211 . 1 1 18 18 LEU C C 13 173.056 0.017 . 1 . 856 . . 18 LEU C . 17166 1 212 . 1 1 18 18 LEU CA C 13 53.392 0.044 . 1 . 258 . . 18 LEU CA . 17166 1 213 . 1 1 18 18 LEU CB C 13 41.777 0.057 . 1 . 319 . . 18 LEU CB . 17166 1 214 . 1 1 18 18 LEU CD1 C 13 21.159 0.132 . 1 . 1162 . . 18 LEU CD1 . 17166 1 215 . 1 1 18 18 LEU CD2 C 13 26.017 0.093 . 1 . 873 . . 18 LEU CD2 . 17166 1 216 . 1 1 18 18 LEU CG C 13 26.054 0.096 . 1 . 395 . . 18 LEU CG . 17166 1 217 . 1 1 18 18 LEU N N 15 127.126 0.035 . 1 . 30 . . 18 LEU N . 17166 1 218 . 1 1 19 19 ASN H H 1 8.339 0.015 . 1 . 77 . . 19 ASN H . 17166 1 219 . 1 1 19 19 ASN HA H 1 5.072 0.017 . 1 . 477 . . 19 ASN HA . 17166 1 220 . 1 1 19 19 ASN HB2 H 1 2.279 0.013 . 1 . 658 . . 19 ASN HB2 . 17166 1 221 . 1 1 19 19 ASN HB3 H 1 1.890 0.012 . 1 . 659 . . 19 ASN HB3 . 17166 1 222 . 1 1 19 19 ASN C C 13 172.864 0.030 . 1 . 855 . . 19 ASN C . 17166 1 223 . 1 1 19 19 ASN CA C 13 51.442 0.069 . 1 . 259 . . 19 ASN CA . 17166 1 224 . 1 1 19 19 ASN CB C 13 41.419 0.121 . 1 . 260 . . 19 ASN CB . 17166 1 225 . 1 1 19 19 ASN N N 15 122.431 0.038 . 1 . 78 . . 19 ASN N . 17166 1 226 . 1 1 20 20 CYS H H 1 9.542 0.01 . 1 . 81 . . 20 CYS H . 17166 1 227 . 1 1 20 20 CYS HA H 1 5.242 0.01 . 1 . 504 . . 20 CYS HA . 17166 1 228 . 1 1 20 20 CYS HB2 H 1 3.432 0.013 . 1 . 667 . . 20 CYS HB2 . 17166 1 229 . 1 1 20 20 CYS HB3 H 1 2.517 0.01 . 1 . 668 . . 20 CYS HB3 . 17166 1 230 . 1 1 20 20 CYS C C 13 172.125 0.015 . 1 . 782 . . 20 CYS C . 17166 1 231 . 1 1 20 20 CYS CA C 13 53.458 0.048 . 1 . 261 . . 20 CYS CA . 17166 1 232 . 1 1 20 20 CYS CB C 13 41.396 0.085 . 1 . 262 . . 20 CYS CB . 17166 1 233 . 1 1 20 20 CYS N N 15 121.964 0.062 . 1 . 82 . . 20 CYS N . 17166 1 234 . 1 1 21 21 TYR H H 1 9.630 0.011 . 1 . 17 . . 21 TYR H . 17166 1 235 . 1 1 21 21 TYR HA H 1 5.468 0.019 . 1 . 582 . . 21 TYR HA . 17166 1 236 . 1 1 21 21 TYR HB2 H 1 2.910 0.009 . 1 . 523 . . 21 TYR HB2 . 17166 1 237 . 1 1 21 21 TYR HB3 H 1 2.842 0.013 . 1 . 524 . . 21 TYR HB3 . 17166 1 238 . 1 1 21 21 TYR HD1 H 1 6.647 0.011 . 3 . 1070 . . 21 TYR HD1 . 17166 1 239 . 1 1 21 21 TYR HD2 H 1 6.647 0.011 . 3 . 1070 . . 21 TYR HD2 . 17166 1 240 . 1 1 21 21 TYR HE1 H 1 6.400 0.017 . 3 . 1085 . . 21 TYR HE1 . 17166 1 241 . 1 1 21 21 TYR HE2 H 1 6.400 0.017 . 3 . 1085 . . 21 TYR HE2 . 17166 1 242 . 1 1 21 21 TYR C C 13 175.813 0.07 . 1 . 781 . . 21 TYR C . 17166 1 243 . 1 1 21 21 TYR CA C 13 56.658 0.062 . 1 . 282 . . 21 TYR CA . 17166 1 244 . 1 1 21 21 TYR CB C 13 40.572 0.062 . 1 . 415 . . 21 TYR CB . 17166 1 245 . 1 1 21 21 TYR CD1 C 13 132.831 0.158 . 3 . 1071 . . 21 TYR CD1 . 17166 1 246 . 1 1 21 21 TYR CD2 C 13 132.831 0.158 . 3 . 1071 . . 21 TYR CD2 . 17166 1 247 . 1 1 21 21 TYR CE1 C 13 117.943 0.181 . 3 . 1086 . . 21 TYR CE1 . 17166 1 248 . 1 1 21 21 TYR CE2 C 13 117.943 0.181 . 3 . 1086 . . 21 TYR CE2 . 17166 1 249 . 1 1 21 21 TYR N N 15 127.789 0.085 . 1 . 18 . . 21 TYR N . 17166 1 250 . 1 1 22 22 VAL H H 1 9.356 0.024 . 1 . 43 . . 22 VAL H . 17166 1 251 . 1 1 22 22 VAL HA H 1 5.039 0.011 . 1 . 646 . . 22 VAL HA . 17166 1 252 . 1 1 22 22 VAL HB H 1 2.046 0.008 . 1 . 647 . . 22 VAL HB . 17166 1 253 . 1 1 22 22 VAL HG11 H 1 1.058 0.02 . 1 . 525 . . 22 VAL HG11 . 17166 1 254 . 1 1 22 22 VAL HG12 H 1 1.058 0.02 . 1 . 525 . . 22 VAL HG12 . 17166 1 255 . 1 1 22 22 VAL HG13 H 1 1.058 0.02 . 1 . 525 . . 22 VAL HG13 . 17166 1 256 . 1 1 22 22 VAL HG21 H 1 0.964 0.012 . 1 . 785 . . 22 VAL HG21 . 17166 1 257 . 1 1 22 22 VAL HG22 H 1 0.964 0.012 . 1 . 785 . . 22 VAL HG22 . 17166 1 258 . 1 1 22 22 VAL HG23 H 1 0.964 0.012 . 1 . 785 . . 22 VAL HG23 . 17166 1 259 . 1 1 22 22 VAL C C 13 176.158 0.030 . 1 . 787 . . 22 VAL C . 17166 1 260 . 1 1 22 22 VAL CA C 13 61.347 0.09 . 1 . 277 . . 22 VAL CA . 17166 1 261 . 1 1 22 22 VAL CB C 13 35.376 0.106 . 1 . 280 . . 22 VAL CB . 17166 1 262 . 1 1 22 22 VAL CG1 C 13 22.047 0.079 . 1 . 786 . . 22 VAL CG1 . 17166 1 263 . 1 1 22 22 VAL CG2 C 13 22.384 0.204 . 1 . 416 . . 22 VAL CG2 . 17166 1 264 . 1 1 22 22 VAL N N 15 124.794 0.043 . 1 . 44 . . 22 VAL N . 17166 1 265 . 1 1 23 23 SER H H 1 9.288 0.015 . 1 . 49 . . 23 SER H . 17166 1 266 . 1 1 23 23 SER HA H 1 5.500 0.019 . 1 . 583 . . 23 SER HA . 17166 1 267 . 1 1 23 23 SER HB2 H 1 3.909 0.014 . 1 . 563 . . 23 SER HB2 . 17166 1 268 . 1 1 23 23 SER HB3 H 1 3.821 0.013 . 1 . 564 . . 23 SER HB3 . 17166 1 269 . 1 1 23 23 SER C C 13 174.295 0.030 . 1 . 961 . . 23 SER C . 17166 1 270 . 1 1 23 23 SER CA C 13 57.264 0.106 . 1 . 276 . . 23 SER CA . 17166 1 271 . 1 1 23 23 SER CB C 13 66.130 0.044 . 1 . 279 . . 23 SER CB . 17166 1 272 . 1 1 23 23 SER N N 15 124.683 0.077 . 1 . 50 . . 23 SER N . 17166 1 273 . 1 1 24 24 GLY H H 1 8.232 0.015 . 1 . 145 . . 24 GLY H . 17166 1 274 . 1 1 24 24 GLY HA2 H 1 3.754 0.03 . 1 . 680 . . 24 GLY HA2 . 17166 1 275 . 1 1 24 24 GLY HA3 H 1 4.024 0.026 . 1 . 468 . . 24 GLY HA3 . 17166 1 276 . 1 1 24 24 GLY C C 13 173.738 0.030 . 1 . 929 . . 24 GLY C . 17166 1 277 . 1 1 24 24 GLY CA C 13 45.502 0.078 . 1 . 275 . . 24 GLY CA . 17166 1 278 . 1 1 24 24 GLY N N 15 107.031 0.029 . 1 . 146 . . 24 GLY N . 17166 1 279 . 1 1 25 25 PHE H H 1 8.783 0.013 . 1 . 105 . . 25 PHE H . 17166 1 280 . 1 1 25 25 PHE HA H 1 4.840 0.009 . 1 . 538 . . 25 PHE HA . 17166 1 281 . 1 1 25 25 PHE HB2 H 1 2.812 0.009 . 1 . 707 . . 25 PHE HB2 . 17166 1 282 . 1 1 25 25 PHE HB3 H 1 2.501 0.012 . 1 . 706 . . 25 PHE HB3 . 17166 1 283 . 1 1 25 25 PHE HD1 H 1 6.881 0.008 . 3 . 1074 . . 25 PHE HD1 . 17166 1 284 . 1 1 25 25 PHE HD2 H 1 6.881 0.008 . 3 . 1074 . . 25 PHE HD2 . 17166 1 285 . 1 1 25 25 PHE HE1 H 1 6.921 0.01 . 3 . 1089 . . 25 PHE HE1 . 17166 1 286 . 1 1 25 25 PHE HE2 H 1 6.921 0.01 . 3 . 1089 . . 25 PHE HE2 . 17166 1 287 . 1 1 25 25 PHE HZ H 1 6.988 0.014 . 1 . 1090 . . 25 PHE HZ . 17166 1 288 . 1 1 25 25 PHE C C 13 173.587 0.030 . 1 . 820 . . 25 PHE C . 17166 1 289 . 1 1 25 25 PHE CA C 13 55.743 0.065 . 1 . 278 . . 25 PHE CA . 17166 1 290 . 1 1 25 25 PHE CB C 13 42.594 0.096 . 1 . 281 . . 25 PHE CB . 17166 1 291 . 1 1 25 25 PHE CD1 C 13 131.429 0.141 . 3 . 1075 . . 25 PHE CD1 . 17166 1 292 . 1 1 25 25 PHE CD2 C 13 131.429 0.141 . 3 . 1075 . . 25 PHE CD2 . 17166 1 293 . 1 1 25 25 PHE CE1 C 13 130.152 0.148 . 3 . 1091 . . 25 PHE CE1 . 17166 1 294 . 1 1 25 25 PHE CE2 C 13 130.152 0.148 . 3 . 1091 . . 25 PHE CE2 . 17166 1 295 . 1 1 25 25 PHE CZ C 13 128.699 0.135 . 1 . 1092 . . 25 PHE CZ . 17166 1 296 . 1 1 25 25 PHE N N 15 119.836 0.057 . 1 . 106 . . 25 PHE N . 17166 1 297 . 1 1 26 26 HIS H H 1 8.804 0.007 . 1 . 51 . . 26 HIS H . 17166 1 298 . 1 1 26 26 HIS HA H 1 3.430 0.03 . 1 . 683 . . 26 HIS HA . 17166 1 299 . 1 1 26 26 HIS HB2 H 1 2.841 0.014 . 1 . 685 . . 26 HIS HB2 . 17166 1 300 . 1 1 26 26 HIS HB3 H 1 2.693 0.015 . 1 . 686 . . 26 HIS HB3 . 17166 1 301 . 1 1 26 26 HIS HD2 H 1 7.119 0.004 . 1 . 770 . . 26 HIS HD2 . 17166 1 302 . 1 1 26 26 HIS CA C 13 55.097 0.101 . 1 . 320 . . 26 HIS CA . 17166 1 303 . 1 1 26 26 HIS CB C 13 31.438 0.126 . 1 . 684 . . 26 HIS CB . 17166 1 304 . 1 1 26 26 HIS CD2 C 13 118.170 0.21 . 1 . 773 . . 26 HIS CD2 . 17166 1 305 . 1 1 26 26 HIS N N 15 124.541 0.041 . 1 . 52 . . 26 HIS N . 17166 1 306 . 1 1 27 27 PRO HA H 1 4.054 0.011 . 1 . 557 . . 27 PRO HA . 17166 1 307 . 1 1 27 27 PRO HB2 H 1 2.180 0.006 . 1 . 588 . . 27 PRO HB2 . 17166 1 308 . 1 1 27 27 PRO HB3 H 1 1.935 0.011 . 1 . 1005 . . 27 PRO HB3 . 17166 1 309 . 1 1 27 27 PRO HD2 H 1 3.095 0.013 . 1 . 587 . . 27 PRO HD2 . 17166 1 310 . 1 1 27 27 PRO HD3 H 1 2.280 0.023 . 1 . 628 . . 27 PRO HD3 . 17166 1 311 . 1 1 27 27 PRO HG2 H 1 1.908 0.011 . 1 . 1007 . . 27 PRO HG2 . 17166 1 312 . 1 1 27 27 PRO HG3 H 1 1.784 0.009 . 1 . 1006 . . 27 PRO HG3 . 17166 1 313 . 1 1 27 27 PRO C C 13 178.517 0.018 . 1 . 988 . . 27 PRO C . 17166 1 314 . 1 1 27 27 PRO CA C 13 64.517 0.076 . 1 . 367 . . 27 PRO CA . 17166 1 315 . 1 1 27 27 PRO CB C 13 31.501 0.122 . 1 . 559 . . 27 PRO CB . 17166 1 316 . 1 1 27 27 PRO CD C 13 50.272 0.094 . 1 . 558 . . 27 PRO CD . 17166 1 317 . 1 1 27 27 PRO CG C 13 27.168 0.13 . 1 . 560 . . 27 PRO CG . 17166 1 318 . 1 1 27 27 PRO N N 15 103.905 0.030 . 1 . 1121 . . 27 PRO N . 17166 1 319 . 1 1 28 28 SER H H 1 10.413 0.015 . 1 . 338 . . 28 SER H . 17166 1 320 . 1 1 28 28 SER HA H 1 4.399 0.011 . 1 . 461 . . 28 SER HA . 17166 1 321 . 1 1 28 28 SER HB2 H 1 4.006 0.014 . 1 . 585 . . 28 SER HB2 . 17166 1 322 . 1 1 28 28 SER HB3 H 1 3.941 0.007 . 1 . 586 . . 28 SER HB3 . 17166 1 323 . 1 1 28 28 SER C C 13 175.287 0.051 . 1 . 859 . . 28 SER C . 17166 1 324 . 1 1 28 28 SER CA C 13 60.679 0.047 . 1 . 340 . . 28 SER CA . 17166 1 325 . 1 1 28 28 SER CB C 13 63.096 0.073 . 1 . 375 . . 28 SER CB . 17166 1 326 . 1 1 28 28 SER N N 15 115.629 0.113 . 1 . 339 . . 28 SER N . 17166 1 327 . 1 1 29 29 ASP H H 1 8.134 0.015 . 1 . 109 . . 29 ASP H . 17166 1 328 . 1 1 29 29 ASP HA H 1 4.735 0.012 . 1 . 446 . . 29 ASP HA . 17166 1 329 . 1 1 29 29 ASP HB2 H 1 2.756 0.016 . 1 . 447 . . 29 ASP HB2 . 17166 1 330 . 1 1 29 29 ASP HB3 H 1 2.746 0.01 . 1 . 448 . . 29 ASP HB3 . 17166 1 331 . 1 1 29 29 ASP C C 13 175.058 0.030 . 1 . 860 . . 29 ASP C . 17166 1 332 . 1 1 29 29 ASP CA C 13 54.408 0.106 . 1 . 287 . . 29 ASP CA . 17166 1 333 . 1 1 29 29 ASP CB C 13 42.681 0.067 . 1 . 288 . . 29 ASP CB . 17166 1 334 . 1 1 29 29 ASP N N 15 119.289 0.034 . 1 . 110 . . 29 ASP N . 17166 1 335 . 1 1 30 30 ILE H H 1 7.096 0.011 . 1 . 137 . . 30 ILE H . 17166 1 336 . 1 1 30 30 ILE HA H 1 5.072 0.008 . 1 . 688 . . 30 ILE HA . 17166 1 337 . 1 1 30 30 ILE HB H 1 1.455 0.009 . 1 . 690 . . 30 ILE HB . 17166 1 338 . 1 1 30 30 ILE HD11 H 1 0.613 0.009 . 1 . 730 . . 30 ILE HD11 . 17166 1 339 . 1 1 30 30 ILE HD12 H 1 0.613 0.009 . 1 . 730 . . 30 ILE HD12 . 17166 1 340 . 1 1 30 30 ILE HD13 H 1 0.613 0.009 . 1 . 730 . . 30 ILE HD13 . 17166 1 341 . 1 1 30 30 ILE HG12 H 1 1.247 0.009 . 1 . 728 . . 30 ILE HG12 . 17166 1 342 . 1 1 30 30 ILE HG13 H 1 1.084 0.01 . 1 . 729 . . 30 ILE HG13 . 17166 1 343 . 1 1 30 30 ILE HG21 H 1 0.489 0.009 . 1 . 727 . . 30 ILE HG21 . 17166 1 344 . 1 1 30 30 ILE HG22 H 1 0.489 0.009 . 1 . 727 . . 30 ILE HG22 . 17166 1 345 . 1 1 30 30 ILE HG23 H 1 0.489 0.009 . 1 . 727 . . 30 ILE HG23 . 17166 1 346 . 1 1 30 30 ILE C C 13 174.015 0.015 . 1 . 953 . . 30 ILE C . 17166 1 347 . 1 1 30 30 ILE CA C 13 58.894 0.08 . 1 . 289 . . 30 ILE CA . 17166 1 348 . 1 1 30 30 ILE CB C 13 43.089 2.788 . 1 . 370 . . 30 ILE CB . 17166 1 349 . 1 1 30 30 ILE CD1 C 13 14.684 0.149 . 1 . 689 . . 30 ILE CD1 . 17166 1 350 . 1 1 30 30 ILE CG1 C 13 24.772 0.067 . 1 . 731 . . 30 ILE CG1 . 17166 1 351 . 1 1 30 30 ILE CG2 C 13 18.854 0.168 . 1 . 396 . . 30 ILE CG2 . 17166 1 352 . 1 1 30 30 ILE N N 15 111.918 0.07 . 1 . 138 . . 30 ILE N . 17166 1 353 . 1 1 31 31 GLU H H 1 7.979 0.01 . 1 . 225 . . 31 GLU H . 17166 1 354 . 1 1 31 31 GLU HA H 1 4.489 0.013 . 1 . 954 . . 31 GLU HA . 17166 1 355 . 1 1 31 31 GLU HB2 H 1 1.849 0.008 . 1 . 955 . . 31 GLU HB2 . 17166 1 356 . 1 1 31 31 GLU HB3 H 1 1.735 0.008 . 1 . 762 . . 31 GLU HB3 . 17166 1 357 . 1 1 31 31 GLU HG2 H 1 2.063 0.01 . 1 . 760 . . 31 GLU HG2 . 17166 1 358 . 1 1 31 31 GLU HG3 H 1 2.042 0.02 . 1 . 761 . . 31 GLU HG3 . 17166 1 359 . 1 1 31 31 GLU C C 13 175.312 0.012 . 1 . 789 . . 31 GLU C . 17166 1 360 . 1 1 31 31 GLU CA C 13 55.003 0.051 . 1 . 290 . . 31 GLU CA . 17166 1 361 . 1 1 31 31 GLU CB C 13 32.255 0.056 . 1 . 788 . . 31 GLU CB . 17166 1 362 . 1 1 31 31 GLU CG C 13 35.989 0.07 . 1 . 791 . . 31 GLU CG . 17166 1 363 . 1 1 31 31 GLU N N 15 121.274 0.084 . 1 . 226 . . 31 GLU N . 17166 1 364 . 1 1 32 32 VAL H H 1 8.383 0.012 . 1 . 27 . . 32 VAL H . 17166 1 365 . 1 1 32 32 VAL HA H 1 4.803 0.014 . 1 . 546 . . 32 VAL HA . 17166 1 366 . 1 1 32 32 VAL HB H 1 0.648 0.008 . 1 . 719 . . 32 VAL HB . 17166 1 367 . 1 1 32 32 VAL HG11 H 1 0.365 0.014 . 1 . 547 . . 32 VAL HG11 . 17166 1 368 . 1 1 32 32 VAL HG12 H 1 0.365 0.014 . 1 . 547 . . 32 VAL HG12 . 17166 1 369 . 1 1 32 32 VAL HG13 H 1 0.365 0.014 . 1 . 547 . . 32 VAL HG13 . 17166 1 370 . 1 1 32 32 VAL HG21 H 1 0.160 0.008 . 1 . 720 . . 32 VAL HG21 . 17166 1 371 . 1 1 32 32 VAL HG22 H 1 0.160 0.008 . 1 . 720 . . 32 VAL HG22 . 17166 1 372 . 1 1 32 32 VAL HG23 H 1 0.160 0.008 . 1 . 720 . . 32 VAL HG23 . 17166 1 373 . 1 1 32 32 VAL C C 13 174.241 0.030 . 1 . 790 . . 32 VAL C . 17166 1 374 . 1 1 32 32 VAL CA C 13 60.978 0.046 . 1 . 223 . . 32 VAL CA . 17166 1 375 . 1 1 32 32 VAL CB C 13 33.990 0.062 . 1 . 224 . . 32 VAL CB . 17166 1 376 . 1 1 32 32 VAL CG1 C 13 22.107 0.193 . 1 . 792 . . 32 VAL CG1 . 17166 1 377 . 1 1 32 32 VAL CG2 C 13 20.728 0.169 . 1 . 793 . . 32 VAL CG2 . 17166 1 378 . 1 1 32 32 VAL N N 15 127.339 0.03 . 1 . 28 . . 32 VAL N . 17166 1 379 . 1 1 33 33 ASP H H 1 8.995 0.011 . 1 . 59 . . 33 ASP H . 17166 1 380 . 1 1 33 33 ASP HA H 1 5.049 0.01 . 1 . 479 . . 33 ASP HA . 17166 1 381 . 1 1 33 33 ASP HB2 H 1 2.131 0.012 . 1 . 662 . . 33 ASP HB2 . 17166 1 382 . 1 1 33 33 ASP HB3 H 1 2.423 0.008 . 1 . 663 . . 33 ASP HB3 . 17166 1 383 . 1 1 33 33 ASP C C 13 174.350 0.037 . 1 . 861 . . 33 ASP C . 17166 1 384 . 1 1 33 33 ASP CA C 13 52.536 0.062 . 1 . 221 . . 33 ASP CA . 17166 1 385 . 1 1 33 33 ASP CB C 13 46.039 0.059 . 1 . 222 . . 33 ASP CB . 17166 1 386 . 1 1 33 33 ASP N N 15 123.728 0.025 . 1 . 60 . . 33 ASP N . 17166 1 387 . 1 1 34 34 LEU H H 1 8.998 0.013 . 1 . 89 . . 34 LEU H . 17166 1 388 . 1 1 34 34 LEU HA H 1 5.013 0.009 . 1 . 469 . . 34 LEU HA . 17166 1 389 . 1 1 34 34 LEU HB2 H 1 1.583 0.007 . 1 . 696 . . 34 LEU HB2 . 17166 1 390 . 1 1 34 34 LEU HB3 H 1 1.178 0.007 . 1 . 875 . . 34 LEU HB3 . 17166 1 391 . 1 1 34 34 LEU HD11 H 1 0.755 0.006 . 1 . 470 . . 34 LEU HD11 . 17166 1 392 . 1 1 34 34 LEU HD12 H 1 0.755 0.006 . 1 . 470 . . 34 LEU HD12 . 17166 1 393 . 1 1 34 34 LEU HD13 H 1 0.755 0.006 . 1 . 470 . . 34 LEU HD13 . 17166 1 394 . 1 1 34 34 LEU HD21 H 1 0.708 0.006 . 1 . 471 . . 34 LEU HD21 . 17166 1 395 . 1 1 34 34 LEU HD22 H 1 0.708 0.006 . 1 . 471 . . 34 LEU HD22 . 17166 1 396 . 1 1 34 34 LEU HD23 H 1 0.708 0.006 . 1 . 471 . . 34 LEU HD23 . 17166 1 397 . 1 1 34 34 LEU HG H 1 1.585 0.009 . 1 . 876 . . 34 LEU HG . 17166 1 398 . 1 1 34 34 LEU C C 13 174.592 0.049 . 1 . 879 . . 34 LEU C . 17166 1 399 . 1 1 34 34 LEU CA C 13 53.604 0.08 . 1 . 219 . . 34 LEU CA . 17166 1 400 . 1 1 34 34 LEU CB C 13 43.304 0.038 . 1 . 220 . . 34 LEU CB . 17166 1 401 . 1 1 34 34 LEU CD1 C 13 24.784 0.135 . 1 . 695 . . 34 LEU CD1 . 17166 1 402 . 1 1 34 34 LEU CD2 C 13 26.372 0.125 . 1 . 878 . . 34 LEU CD2 . 17166 1 403 . 1 1 34 34 LEU CG C 13 27.756 0.155 . 1 . 877 . . 34 LEU CG . 17166 1 404 . 1 1 34 34 LEU N N 15 121.299 0.076 . 1 . 90 . . 34 LEU N . 17166 1 405 . 1 1 35 35 LEU H H 1 8.992 0.012 . 1 . 99 . . 35 LEU H . 17166 1 406 . 1 1 35 35 LEU HA H 1 4.989 0.013 . 1 . 480 . . 35 LEU HA . 17166 1 407 . 1 1 35 35 LEU HB2 H 1 1.596 0.008 . 1 . 698 . . 35 LEU HB2 . 17166 1 408 . 1 1 35 35 LEU HB3 H 1 0.760 0.008 . 1 . 880 . . 35 LEU HB3 . 17166 1 409 . 1 1 35 35 LEU HD11 H 1 0.591 0.01 . 1 . 881 . . 35 LEU HD11 . 17166 1 410 . 1 1 35 35 LEU HD12 H 1 0.591 0.01 . 1 . 881 . . 35 LEU HD12 . 17166 1 411 . 1 1 35 35 LEU HD13 H 1 0.591 0.01 . 1 . 881 . . 35 LEU HD13 . 17166 1 412 . 1 1 35 35 LEU HD21 H 1 0.375 0.008 . 1 . 883 . . 35 LEU HD21 . 17166 1 413 . 1 1 35 35 LEU HD22 H 1 0.375 0.008 . 1 . 883 . . 35 LEU HD22 . 17166 1 414 . 1 1 35 35 LEU HD23 H 1 0.375 0.008 . 1 . 883 . . 35 LEU HD23 . 17166 1 415 . 1 1 35 35 LEU HG H 1 1.173 0.006 . 1 . 699 . . 35 LEU HG . 17166 1 416 . 1 1 35 35 LEU C C 13 175.537 0.030 . 1 . 885 . . 35 LEU C . 17166 1 417 . 1 1 35 35 LEU CA C 13 52.775 0.075 . 1 . 217 . . 35 LEU CA . 17166 1 418 . 1 1 35 35 LEU CB C 13 45.538 0.071 . 1 . 218 . . 35 LEU CB . 17166 1 419 . 1 1 35 35 LEU CD1 C 13 26.086 0.044 . 1 . 884 . . 35 LEU CD1 . 17166 1 420 . 1 1 35 35 LEU CD2 C 13 22.580 0.134 . 1 . 697 . . 35 LEU CD2 . 17166 1 421 . 1 1 35 35 LEU CG C 13 26.778 0.056 . 1 . 882 . . 35 LEU CG . 17166 1 422 . 1 1 35 35 LEU N N 15 120.224 0.037 . 1 . 100 . . 35 LEU N . 17166 1 423 . 1 1 36 36 LYS H H 1 8.912 0.012 . 1 . 91 . . 36 LYS H . 17166 1 424 . 1 1 36 36 LYS HA H 1 4.369 0.01 . 1 . 501 . . 36 LYS HA . 17166 1 425 . 1 1 36 36 LYS HB2 H 1 1.758 0.006 . 1 . 1163 . . 36 LYS HB2 . 17166 1 426 . 1 1 36 36 LYS HB3 H 1 1.449 0.007 . 1 . 764 . . 36 LYS HB3 . 17166 1 427 . 1 1 36 36 LYS HD2 H 1 1.623 0.012 . 1 . 972 . . 36 LYS HD2 . 17166 1 428 . 1 1 36 36 LYS HD3 H 1 1.758 0.006 . 1 . 973 . . 36 LYS HD3 . 17166 1 429 . 1 1 36 36 LYS HE2 H 1 2.834 0.007 . 1 . 503 . . 36 LYS HE2 . 17166 1 430 . 1 1 36 36 LYS HE3 H 1 2.759 0.011 . 1 . 502 . . 36 LYS HE3 . 17166 1 431 . 1 1 36 36 LYS HG2 H 1 0.797 0.011 . 1 . 970 . . 36 LYS HG2 . 17166 1 432 . 1 1 36 36 LYS HG3 H 1 0.590 0.007 . 1 . 971 . . 36 LYS HG3 . 17166 1 433 . 1 1 36 36 LYS C C 13 176.494 0.027 . 1 . 857 . . 36 LYS C . 17166 1 434 . 1 1 36 36 LYS CA C 13 54.223 0.076 . 1 . 152 . . 36 LYS CA . 17166 1 435 . 1 1 36 36 LYS CB C 13 34.207 0.07 . 1 . 216 . . 36 LYS CB . 17166 1 436 . 1 1 36 36 LYS CD C 13 29.826 0.016 . 1 . 412 . . 36 LYS CD . 17166 1 437 . 1 1 36 36 LYS CE C 13 41.897 0.103 . 1 . 411 . . 36 LYS CE . 17166 1 438 . 1 1 36 36 LYS CG C 13 25.398 0.111 . 1 . 413 . . 36 LYS CG . 17166 1 439 . 1 1 36 36 LYS N N 15 121.275 0.109 . 1 . 92 . . 36 LYS N . 17166 1 440 . 1 1 37 37 ASN H H 1 9.822 0.011 . 1 . 11 . . 37 ASN H . 17166 1 441 . 1 1 37 37 ASN HA H 1 4.358 0.01 . 1 . 432 . . 37 ASN HA . 17166 1 442 . 1 1 37 37 ASN HB2 H 1 2.912 0.011 . 1 . 433 . . 37 ASN HB2 . 17166 1 443 . 1 1 37 37 ASN HB3 H 1 2.851 0.011 . 1 . 434 . . 37 ASN HB3 . 17166 1 444 . 1 1 37 37 ASN HD21 H 1 7.834 0.005 . 1 . 1139 . . 37 ASN HD21 . 17166 1 445 . 1 1 37 37 ASN HD22 H 1 8.056 0.009 . 1 . 1141 . . 37 ASN HD22 . 17166 1 446 . 1 1 37 37 ASN C C 13 175.729 0.002 . 1 . 858 . . 37 ASN C . 17166 1 447 . 1 1 37 37 ASN CA C 13 54.558 0.064 . 1 . 150 . . 37 ASN CA . 17166 1 448 . 1 1 37 37 ASN CB C 13 37.359 0.063 . 1 . 151 . . 37 ASN CB . 17166 1 449 . 1 1 37 37 ASN N N 15 128.370 0.036 . 1 . 12 . . 37 ASN N . 17166 1 450 . 1 1 37 37 ASN ND2 N 15 118.199 0.03 . 1 . 1140 . . 37 ASN ND2 . 17166 1 451 . 1 1 38 38 GLY H H 1 8.913 0.009 . 1 . 147 . . 38 GLY H . 17166 1 452 . 1 1 38 38 GLY HA2 H 1 3.315 0.015 . 1 . 679 . . 38 GLY HA2 . 17166 1 453 . 1 1 38 38 GLY HA3 H 1 4.164 0.015 . 1 . 484 . . 38 GLY HA3 . 17166 1 454 . 1 1 38 38 GLY C C 13 173.098 0.030 . 1 . 956 . . 38 GLY C . 17166 1 455 . 1 1 38 38 GLY CA C 13 45.347 0.089 . 1 . 149 . . 38 GLY CA . 17166 1 456 . 1 1 38 38 GLY N N 15 102.382 0.026 . 1 . 148 . . 38 GLY N . 17166 1 457 . 1 1 39 39 GLU H H 1 7.879 0.012 . 1 . 95 . . 39 GLU H . 17166 1 458 . 1 1 39 39 GLU HA H 1 4.566 0.01 . 1 . 537 . . 39 GLU HA . 17166 1 459 . 1 1 39 39 GLU HB2 H 1 2.041 0.006 . 1 . 742 . . 39 GLU HB2 . 17166 1 460 . 1 1 39 39 GLU HB3 H 1 1.962 0.02 . 1 . 743 . . 39 GLU HB3 . 17166 1 461 . 1 1 39 39 GLU HG2 H 1 2.288 0.01 . 1 . 744 . . 39 GLU HG2 . 17166 1 462 . 1 1 39 39 GLU HG3 H 1 2.152 0.008 . 1 . 745 . . 39 GLU HG3 . 17166 1 463 . 1 1 39 39 GLU C C 13 175.886 0.061 . 1 . 840 . . 39 GLU C . 17166 1 464 . 1 1 39 39 GLU CA C 13 54.339 0.085 . 1 . 214 . . 39 GLU CA . 17166 1 465 . 1 1 39 39 GLU CB C 13 31.701 0.138 . 1 . 215 . . 39 GLU CB . 17166 1 466 . 1 1 39 39 GLU CG C 13 35.958 0.083 . 1 . 427 . . 39 GLU CG . 17166 1 467 . 1 1 39 39 GLU N N 15 120.905 0.016 . 1 . 96 . . 39 GLU N . 17166 1 468 . 1 1 40 40 ARG H H 1 8.756 0.008 . 1 . 57 . . 40 ARG H . 17166 1 469 . 1 1 40 40 ARG HA H 1 4.135 0.008 . 1 . 656 . . 40 ARG HA . 17166 1 470 . 1 1 40 40 ARG HB2 H 1 1.617 0.008 . 1 . 833 . . 40 ARG HB2 . 17166 1 471 . 1 1 40 40 ARG HB3 H 1 1.626 0.007 . 1 . 834 . . 40 ARG HB3 . 17166 1 472 . 1 1 40 40 ARG HD2 H 1 3.131 0.006 . 1 . 837 . . 40 ARG HD2 . 17166 1 473 . 1 1 40 40 ARG HD3 H 1 3.033 0.008 . 1 . 838 . . 40 ARG HD3 . 17166 1 474 . 1 1 40 40 ARG HG2 H 1 1.521 0.004 . 1 . 835 . . 40 ARG HG2 . 17166 1 475 . 1 1 40 40 ARG HG3 H 1 1.305 0.006 . 1 . 836 . . 40 ARG HG3 . 17166 1 476 . 1 1 40 40 ARG C C 13 176.398 0.026 . 1 . 839 . . 40 ARG C . 17166 1 477 . 1 1 40 40 ARG CA C 13 57.815 0.095 . 1 . 213 . . 40 ARG CA . 17166 1 478 . 1 1 40 40 ARG CB C 13 30.670 0.036 . 1 . 307 . . 40 ARG CB . 17166 1 479 . 1 1 40 40 ARG CD C 13 43.432 0.068 . 1 . 402 . . 40 ARG CD . 17166 1 480 . 1 1 40 40 ARG CG C 13 28.034 0.111 . 1 . 403 . . 40 ARG CG . 17166 1 481 . 1 1 40 40 ARG N N 15 123.879 0.023 . 1 . 58 . . 40 ARG N . 17166 1 482 . 1 1 41 41 ILE H H 1 8.883 0.011 . 1 . 13 . . 41 ILE H . 17166 1 483 . 1 1 41 41 ILE HA H 1 3.998 0.01 . 1 . 529 . . 41 ILE HA . 17166 1 484 . 1 1 41 41 ILE HB H 1 1.562 0.007 . 1 . 692 . . 41 ILE HB . 17166 1 485 . 1 1 41 41 ILE HD11 H 1 0.842 0.006 . 1 . 735 . . 41 ILE HD11 . 17166 1 486 . 1 1 41 41 ILE HD12 H 1 0.842 0.006 . 1 . 735 . . 41 ILE HD12 . 17166 1 487 . 1 1 41 41 ILE HD13 H 1 0.842 0.006 . 1 . 735 . . 41 ILE HD13 . 17166 1 488 . 1 1 41 41 ILE HG12 H 1 1.707 0.009 . 1 . 962 . . 41 ILE HG12 . 17166 1 489 . 1 1 41 41 ILE HG13 H 1 1.041 0.01 . 1 . 733 . . 41 ILE HG13 . 17166 1 490 . 1 1 41 41 ILE HG21 H 1 1.004 0.007 . 1 . 732 . . 41 ILE HG21 . 17166 1 491 . 1 1 41 41 ILE HG22 H 1 1.004 0.007 . 1 . 732 . . 41 ILE HG22 . 17166 1 492 . 1 1 41 41 ILE HG23 H 1 1.004 0.007 . 1 . 732 . . 41 ILE HG23 . 17166 1 493 . 1 1 41 41 ILE C C 13 176.430 0.025 . 1 . 959 . . 41 ILE C . 17166 1 494 . 1 1 41 41 ILE CA C 13 61.891 0.047 . 1 . 211 . . 41 ILE CA . 17166 1 495 . 1 1 41 41 ILE CB C 13 38.933 0.059 . 1 . 212 . . 41 ILE CB . 17166 1 496 . 1 1 41 41 ILE CD1 C 13 13.897 0.149 . 1 . 734 . . 41 ILE CD1 . 17166 1 497 . 1 1 41 41 ILE CG1 C 13 28.337 0.132 . 1 . 691 . . 41 ILE CG1 . 17166 1 498 . 1 1 41 41 ILE CG2 C 13 17.924 0.135 . 1 . 419 . . 41 ILE CG2 . 17166 1 499 . 1 1 41 41 ILE N N 15 128.312 0.048 . 1 . 14 . . 41 ILE N . 17166 1 500 . 1 1 42 42 GLU H H 1 8.608 0.01 . 1 . 33 . . 42 GLU H . 17166 1 501 . 1 1 42 42 GLU HA H 1 4.087 0.014 . 1 . 460 . . 42 GLU HA . 17166 1 502 . 1 1 42 42 GLU HB2 H 1 2.086 0.008 . 1 . 746 . . 42 GLU HB2 . 17166 1 503 . 1 1 42 42 GLU HB3 H 1 2.014 0.011 . 1 . 747 . . 42 GLU HB3 . 17166 1 504 . 1 1 42 42 GLU HG2 H 1 2.351 0.008 . 1 . 749 . . 42 GLU HG2 . 17166 1 505 . 1 1 42 42 GLU HG3 H 1 2.239 0.009 . 1 . 748 . . 42 GLU HG3 . 17166 1 506 . 1 1 42 42 GLU C C 13 176.872 0.028 . 1 . 958 . . 42 GLU C . 17166 1 507 . 1 1 42 42 GLU CA C 13 59.000 0.061 . 1 . 209 . . 42 GLU CA . 17166 1 508 . 1 1 42 42 GLU CB C 13 30.525 0.041 . 1 . 210 . . 42 GLU CB . 17166 1 509 . 1 1 42 42 GLU CG C 13 36.564 0.106 . 1 . 388 . . 42 GLU CG . 17166 1 510 . 1 1 42 42 GLU N N 15 125.934 0.03 . 1 . 34 . . 42 GLU N . 17166 1 511 . 1 1 43 43 LYS H H 1 8.061 0.008 . 1 . 111 . . 43 LYS H . 17166 1 512 . 1 1 43 43 LYS HA H 1 4.483 0.016 . 1 . 639 . . 43 LYS HA . 17166 1 513 . 1 1 43 43 LYS HB2 H 1 1.928 0.006 . 1 . 974 . . 43 LYS HB2 . 17166 1 514 . 1 1 43 43 LYS HB3 H 1 1.754 0.007 . 1 . 975 . . 43 LYS HB3 . 17166 1 515 . 1 1 43 43 LYS HD2 H 1 1.712 0.008 . 1 . 642 . . 43 LYS HD2 . 17166 1 516 . 1 1 43 43 LYS HD3 H 1 1.711 0.008 . 1 . 643 . . 43 LYS HD3 . 17166 1 517 . 1 1 43 43 LYS HE2 H 1 3.001 0.014 . 1 . 495 . . 43 LYS HE2 . 17166 1 518 . 1 1 43 43 LYS HE3 H 1 3.001 0.013 . 1 . 496 . . 43 LYS HE3 . 17166 1 519 . 1 1 43 43 LYS HG2 H 1 1.389 0.01 . 1 . 640 . . 43 LYS HG2 . 17166 1 520 . 1 1 43 43 LYS HG3 H 1 1.390 0.011 . 1 . 641 . . 43 LYS HG3 . 17166 1 521 . 1 1 43 43 LYS C C 13 174.442 0.018 . 1 . 795 . . 43 LYS C . 17166 1 522 . 1 1 43 43 LYS CA C 13 55.850 0.038 . 1 . 207 . . 43 LYS CA . 17166 1 523 . 1 1 43 43 LYS CB C 13 31.518 0.061 . 1 . 208 . . 43 LYS CB . 17166 1 524 . 1 1 43 43 LYS CD C 13 28.972 0.036 . 1 . 397 . . 43 LYS CD . 17166 1 525 . 1 1 43 43 LYS CE C 13 42.084 0.073 . 1 . 796 . . 43 LYS CE . 17166 1 526 . 1 1 43 43 LYS CG C 13 24.894 0.026 . 1 . 398 . . 43 LYS CG . 17166 1 527 . 1 1 43 43 LYS N N 15 119.107 0.031 . 1 . 112 . . 43 LYS N . 17166 1 528 . 1 1 44 44 VAL H H 1 8.115 0.014 . 1 . 37 . . 44 VAL H . 17166 1 529 . 1 1 44 44 VAL HA H 1 4.256 0.019 . 1 . 568 . . 44 VAL HA . 17166 1 530 . 1 1 44 44 VAL HB H 1 2.028 0.011 . 1 . 509 . . 44 VAL HB . 17166 1 531 . 1 1 44 44 VAL HG11 H 1 0.964 0.012 . 1 . 510 . . 44 VAL HG11 . 17166 1 532 . 1 1 44 44 VAL HG12 H 1 0.964 0.012 . 1 . 510 . . 44 VAL HG12 . 17166 1 533 . 1 1 44 44 VAL HG13 H 1 0.964 0.012 . 1 . 510 . . 44 VAL HG13 . 17166 1 534 . 1 1 44 44 VAL HG21 H 1 1.044 0.008 . 1 . 511 . . 44 VAL HG21 . 17166 1 535 . 1 1 44 44 VAL HG22 H 1 1.044 0.008 . 1 . 511 . . 44 VAL HG22 . 17166 1 536 . 1 1 44 44 VAL HG23 H 1 1.044 0.008 . 1 . 511 . . 44 VAL HG23 . 17166 1 537 . 1 1 44 44 VAL C C 13 175.487 0.023 . 1 . 794 . . 44 VAL C . 17166 1 538 . 1 1 44 44 VAL CA C 13 61.861 0.069 . 1 . 206 . . 44 VAL CA . 17166 1 539 . 1 1 44 44 VAL CB C 13 34.496 0.152 . 1 . 569 . . 44 VAL CB . 17166 1 540 . 1 1 44 44 VAL CG1 C 13 22.473 0.033 . 1 . 405 . . 44 VAL CG1 . 17166 1 541 . 1 1 44 44 VAL CG2 C 13 22.103 0.103 . 1 . 404 . . 44 VAL CG2 . 17166 1 542 . 1 1 44 44 VAL N N 15 125.525 0.025 . 1 . 38 . . 44 VAL N . 17166 1 543 . 1 1 45 45 GLU H H 1 8.705 0.015 . 1 . 21 . . 45 GLU H . 17166 1 544 . 1 1 45 45 GLU HA H 1 4.497 0.017 . 1 . 454 . . 45 GLU HA . 17166 1 545 . 1 1 45 45 GLU HB2 H 1 0.463 0.023 . 1 . 1172 . . 45 GLU HB2 . 17166 1 546 . 1 1 45 45 GLU HB3 H 1 1.542 0.012 . 1 . 754 . . 45 GLU HB3 . 17166 1 547 . 1 1 45 45 GLU HG2 H 1 2.027 0.012 . 1 . 676 . . 45 GLU HG2 . 17166 1 548 . 1 1 45 45 GLU HG3 H 1 2.025 0.009 . 1 . 677 . . 45 GLU HG3 . 17166 1 549 . 1 1 45 45 GLU C C 13 174.233 0.038 . 1 . 821 . . 45 GLU C . 17166 1 550 . 1 1 45 45 GLU CA C 13 54.529 0.051 . 1 . 204 . . 45 GLU CA . 17166 1 551 . 1 1 45 45 GLU CB C 13 31.340 0.113 . 1 . 205 . . 45 GLU CB . 17166 1 552 . 1 1 45 45 GLU CG C 13 36.111 0.046 . 1 . 384 . . 45 GLU CG . 17166 1 553 . 1 1 45 45 GLU N N 15 127.599 0.034 . 1 . 22 . . 45 GLU N . 17166 1 554 . 1 1 46 46 HIS H H 1 8.408 0.012 . 1 . 123 . . 46 HIS H . 17166 1 555 . 1 1 46 46 HIS HA H 1 5.565 0.01 . 1 . 576 . . 46 HIS HA . 17166 1 556 . 1 1 46 46 HIS HB2 H 1 2.695 0.021 . 1 . 466 . . 46 HIS HB2 . 17166 1 557 . 1 1 46 46 HIS HB3 H 1 2.695 0.02 . 1 . 467 . . 46 HIS HB3 . 17166 1 558 . 1 1 46 46 HIS HD2 H 1 6.632 0.014 . 1 . 767 . . 46 HIS HD2 . 17166 1 559 . 1 1 46 46 HIS C C 13 174.879 0.013 . 1 . 822 . . 46 HIS C . 17166 1 560 . 1 1 46 46 HIS CA C 13 54.064 0.094 . 1 . 202 . . 46 HIS CA . 17166 1 561 . 1 1 46 46 HIS CB C 13 32.330 0.14 . 1 . 203 . . 46 HIS CB . 17166 1 562 . 1 1 46 46 HIS CD2 C 13 125.542 0.132 . 1 . 1170 . . 46 HIS CD2 . 17166 1 563 . 1 1 46 46 HIS N N 15 116.755 0.132 . 1 . 124 . . 46 HIS N . 17166 1 564 . 1 1 47 47 SER H H 1 8.819 0.008 . 1 . 113 . . 47 SER H . 17166 1 565 . 1 1 47 47 SER HA H 1 4.389 0.015 . 1 . 584 . . 47 SER HA . 17166 1 566 . 1 1 47 47 SER HB2 H 1 3.635 0.014 . 1 . 565 . . 47 SER HB2 . 17166 1 567 . 1 1 47 47 SER HB3 H 1 3.505 0.007 . 1 . 566 . . 47 SER HB3 . 17166 1 568 . 1 1 47 47 SER C C 13 171.842 0.030 . 1 . 991 . . 47 SER C . 17166 1 569 . 1 1 47 47 SER CA C 13 57.306 0.044 . 1 . 200 . . 47 SER CA . 17166 1 570 . 1 1 47 47 SER CB C 13 66.109 0.015 . 1 . 201 . . 47 SER CB . 17166 1 571 . 1 1 47 47 SER N N 15 119.035 0.041 . 1 . 114 . . 47 SER N . 17166 1 572 . 1 1 48 48 ASP H H 1 8.263 0.019 . 1 . 347 . . 48 ASP H . 17166 1 573 . 1 1 48 48 ASP HA H 1 4.735 0.028 . 1 . 921 . . 48 ASP HA . 17166 1 574 . 1 1 48 48 ASP HB2 H 1 2.997 0.01 . 1 . 922 . . 48 ASP HB2 . 17166 1 575 . 1 1 48 48 ASP HB3 H 1 2.572 0.013 . 1 . 924 . . 48 ASP HB3 . 17166 1 576 . 1 1 48 48 ASP C C 13 176.633 0.030 . 1 . 928 . . 48 ASP C . 17166 1 577 . 1 1 48 48 ASP CA C 13 54.074 0.041 . 1 . 925 . . 48 ASP CA . 17166 1 578 . 1 1 48 48 ASP CB C 13 40.518 0.052 . 1 . 923 . . 48 ASP CB . 17166 1 579 . 1 1 48 48 ASP N N 15 122.240 0.057 . 1 . 348 . . 48 ASP N . 17166 1 580 . 1 1 49 49 LEU H H 1 8.463 0.009 . 1 . 926 . . 49 LEU H . 17166 1 581 . 1 1 49 49 LEU HA H 1 4.583 0.006 . 1 . 911 . . 49 LEU HA . 17166 1 582 . 1 1 49 49 LEU HB2 H 1 1.575 0.008 . 1 . 912 . . 49 LEU HB2 . 17166 1 583 . 1 1 49 49 LEU HB3 H 1 1.501 0.011 . 1 . 914 . . 49 LEU HB3 . 17166 1 584 . 1 1 49 49 LEU HD11 H 1 0.795 0.006 . 1 . 916 . . 49 LEU HD11 . 17166 1 585 . 1 1 49 49 LEU HD12 H 1 0.795 0.006 . 1 . 916 . . 49 LEU HD12 . 17166 1 586 . 1 1 49 49 LEU HD13 H 1 0.795 0.006 . 1 . 916 . . 49 LEU HD13 . 17166 1 587 . 1 1 49 49 LEU HD21 H 1 0.769 0.008 . 1 . 918 . . 49 LEU HD21 . 17166 1 588 . 1 1 49 49 LEU HD22 H 1 0.769 0.008 . 1 . 918 . . 49 LEU HD22 . 17166 1 589 . 1 1 49 49 LEU HD23 H 1 0.769 0.008 . 1 . 918 . . 49 LEU HD23 . 17166 1 590 . 1 1 49 49 LEU HG H 1 1.462 0.007 . 1 . 920 . . 49 LEU HG . 17166 1 591 . 1 1 49 49 LEU CA C 13 54.168 0.032 . 1 . 910 . . 49 LEU CA . 17166 1 592 . 1 1 49 49 LEU CB C 13 42.049 0.045 . 1 . 913 . . 49 LEU CB . 17166 1 593 . 1 1 49 49 LEU CD1 C 13 26.575 0.147 . 1 . 915 . . 49 LEU CD1 . 17166 1 594 . 1 1 49 49 LEU CD2 C 13 23.214 0.04 . 1 . 917 . . 49 LEU CD2 . 17166 1 595 . 1 1 49 49 LEU CG C 13 26.908 0.01 . 1 . 919 . . 49 LEU CG . 17166 1 596 . 1 1 49 49 LEU N N 15 127.815 0.039 . 1 . 927 . . 49 LEU N . 17166 1 597 . 1 1 50 50 SER H H 1 8.892 0.005 . 1 . 1182 . . 50 SER H . 17166 1 598 . 1 1 50 50 SER HA H 1 4.157 0.004 . 1 . 943 . . 50 SER HA . 17166 1 599 . 1 1 50 50 SER HB2 H 1 3.719 0.005 . 1 . 986 . . 50 SER HB2 . 17166 1 600 . 1 1 50 50 SER HB3 H 1 3.651 0.007 . 1 . 987 . . 50 SER HB3 . 17166 1 601 . 1 1 50 50 SER C C 13 173.763 0.030 . 1 . 942 . . 50 SER C . 17166 1 602 . 1 1 50 50 SER CA C 13 61.291 0.116 . 1 . 1184 . . 50 SER CA . 17166 1 603 . 1 1 50 50 SER N N 15 120.384 0.015 . 1 . 1183 . . 50 SER N . 17166 1 604 . 1 1 51 51 PHE H H 1 8.324 0.007 . 1 . 107 . . 51 PHE H . 17166 1 605 . 1 1 51 51 PHE CA C 13 58.344 0.03 . 1 . 1185 . . 51 PHE CA . 17166 1 606 . 1 1 51 51 PHE N N 15 119.299 0.092 . 1 . 108 . . 51 PHE N . 17166 1 607 . 1 1 52 52 SER H H 1 7.751 0.02 . 1 . 1187 . . 52 SER H . 17166 1 608 . 1 1 52 52 SER CA C 13 58.178 0.030 . 1 . 1188 . . 52 SER CA . 17166 1 609 . 1 1 52 52 SER N N 15 116.392 0.047 . 1 . 1186 . . 52 SER N . 17166 1 610 . 1 1 53 53 LYS HA H 1 4.194 0.008 . 1 . 976 . . 53 LYS HA . 17166 1 611 . 1 1 53 53 LYS HB2 H 1 1.578 0.021 . 1 . 978 . . 53 LYS HB2 . 17166 1 612 . 1 1 53 53 LYS HB3 H 1 1.578 0.021 . 1 . 979 . . 53 LYS HB3 . 17166 1 613 . 1 1 53 53 LYS HD2 H 1 1.444 0.01 . 1 . 980 . . 53 LYS HD2 . 17166 1 614 . 1 1 53 53 LYS HD3 H 1 1.344 0.009 . 1 . 981 . . 53 LYS HD3 . 17166 1 615 . 1 1 53 53 LYS HE2 H 1 2.587 0.013 . 1 . 982 . . 53 LYS HE2 . 17166 1 616 . 1 1 53 53 LYS HE3 H 1 2.587 0.013 . 1 . 983 . . 53 LYS HE3 . 17166 1 617 . 1 1 53 53 LYS HG2 H 1 1.119 0.012 . 1 . 984 . . 53 LYS HG2 . 17166 1 618 . 1 1 53 53 LYS HG3 H 1 1.120 0.012 . 1 . 985 . . 53 LYS HG3 . 17166 1 619 . 1 1 53 53 LYS C C 13 176.158 0.030 . 1 . 818 . . 53 LYS C . 17166 1 620 . 1 1 53 53 LYS CA C 13 57.078 0.062 . 1 . 1180 . . 53 LYS CA . 17166 1 621 . 1 1 53 53 LYS CB C 13 29.903 0.030 . 1 . 1181 . . 53 LYS CB . 17166 1 622 . 1 1 53 53 LYS CD C 13 28.613 0.06 . 1 . 816 . . 53 LYS CD . 17166 1 623 . 1 1 53 53 LYS CE C 13 41.944 0.102 . 1 . 977 . . 53 LYS CE . 17166 1 624 . 1 1 53 53 LYS CG C 13 24.257 0.031 . 1 . 817 . . 53 LYS CG . 17166 1 625 . 1 1 54 54 ASP H H 1 8.025 0.017 . 1 . 813 . . 54 ASP H . 17166 1 626 . 1 1 54 54 ASP HA H 1 4.559 0.030 . 1 . 1189 . . 54 ASP HA . 17166 1 627 . 1 1 54 54 ASP HB2 H 1 2.605 0.021 . 1 . 864 . . 54 ASP HB2 . 17166 1 628 . 1 1 54 54 ASP HB3 H 1 2.466 0.01 . 1 . 865 . . 54 ASP HB3 . 17166 1 629 . 1 1 54 54 ASP C C 13 175.478 0.054 . 1 . 811 . . 54 ASP C . 17166 1 630 . 1 1 54 54 ASP CA C 13 54.518 0.198 . 1 . 810 . . 54 ASP CA . 17166 1 631 . 1 1 54 54 ASP CB C 13 41.256 0.084 . 1 . 1179 . . 54 ASP CB . 17166 1 632 . 1 1 54 54 ASP N N 15 118.624 0.079 . 1 . 812 . . 54 ASP N . 17166 1 633 . 1 1 55 55 TRP H H 1 7.931 0.009 . 1 . 303 . . 55 TRP H . 17166 1 634 . 1 1 55 55 TRP HA H 1 4.696 0.024 . 1 . 807 . . 55 TRP HA . 17166 1 635 . 1 1 55 55 TRP HB2 H 1 3.314 0.004 . 1 . 1069 . . 55 TRP HB2 . 17166 1 636 . 1 1 55 55 TRP HB3 H 1 3.208 0.01 . 1 . 1068 . . 55 TRP HB3 . 17166 1 637 . 1 1 55 55 TRP HD1 H 1 7.116 0.014 . 1 . 1148 . . 55 TRP HD1 . 17166 1 638 . 1 1 55 55 TRP HE1 H 1 9.982 0.016 . 1 . 7 . . 55 TRP HE1 . 17166 1 639 . 1 1 55 55 TRP HE3 H 1 7.491 0.011 . 1 . 1153 . . 55 TRP HE3 . 17166 1 640 . 1 1 55 55 TRP HH2 H 1 7.198 0.031 . 1 . 1112 . . 55 TRP HH2 . 17166 1 641 . 1 1 55 55 TRP HZ2 H 1 7.328 0.001 . 1 . 1110 . . 55 TRP HZ2 . 17166 1 642 . 1 1 55 55 TRP HZ3 H 1 7.038 0.02 . 1 . 1151 . . 55 TRP HZ3 . 17166 1 643 . 1 1 55 55 TRP C C 13 174.562 0.030 . 1 . 989 . . 55 TRP C . 17166 1 644 . 1 1 55 55 TRP CA C 13 57.054 0.145 . 1 . 1067 . . 55 TRP CA . 17166 1 645 . 1 1 55 55 TRP CB C 13 30.967 0.030 . 1 . 1176 . . 55 TRP CB . 17166 1 646 . 1 1 55 55 TRP CD1 C 13 126.702 0.183 . 1 . 1149 . . 55 TRP CD1 . 17166 1 647 . 1 1 55 55 TRP CE3 C 13 120.557 0.211 . 1 . 1154 . . 55 TRP CE3 . 17166 1 648 . 1 1 55 55 TRP CH2 C 13 124.217 0.19 . 1 . 1150 . . 55 TRP CH2 . 17166 1 649 . 1 1 55 55 TRP CZ2 C 13 114.158 0.158 . 1 . 1111 . . 55 TRP CZ2 . 17166 1 650 . 1 1 55 55 TRP CZ3 C 13 121.453 0.159 . 1 . 1152 . . 55 TRP CZ3 . 17166 1 651 . 1 1 55 55 TRP N N 15 119.784 0.12 . 1 . 304 . . 55 TRP N . 17166 1 652 . 1 1 55 55 TRP NE1 N 15 128.622 0.032 . 1 . 8 . . 55 TRP NE1 . 17166 1 653 . 1 1 56 56 SER H H 1 7.645 0.030 . 1 . 1193 . . 56 SER H . 17166 1 654 . 1 1 56 56 SER HA H 1 4.183 0.018 . 1 . 1190 . . 56 SER HA . 17166 1 655 . 1 1 56 56 SER HB2 H 1 3.758 0.011 . 1 . 1195 . . 56 SER HB2 . 17166 1 656 . 1 1 56 56 SER HB3 H 1 3.688 0.022 . 1 . 1196 . . 56 SER HB3 . 17166 1 657 . 1 1 56 56 SER CA C 13 57.939 0.028 . 1 . 1191 . . 56 SER CA . 17166 1 658 . 1 1 56 56 SER CB C 13 63.536 0.030 . 1 . 1192 . . 56 SER CB . 17166 1 659 . 1 1 56 56 SER N N 15 115.535 0.030 . 1 . 1194 . . 56 SER N . 17166 1 660 . 1 1 57 57 PHE H H 1 7.889 0.008 . 1 . 938 . . 57 PHE H . 17166 1 661 . 1 1 57 57 PHE HA H 1 4.827 0.014 . 1 . 937 . . 57 PHE HA . 17166 1 662 . 1 1 57 57 PHE HB2 H 1 3.029 0.012 . 1 . 935 . . 57 PHE HB2 . 17166 1 663 . 1 1 57 57 PHE HB3 H 1 2.587 0.013 . 1 . 936 . . 57 PHE HB3 . 17166 1 664 . 1 1 57 57 PHE HD1 H 1 7.116 0.01 . 3 . 1080 . . 57 PHE HD1 . 17166 1 665 . 1 1 57 57 PHE HD2 H 1 7.116 0.01 . 3 . 1080 . . 57 PHE HD2 . 17166 1 666 . 1 1 57 57 PHE HE1 H 1 7.399 0.012 . 3 . 1113 . . 57 PHE HE1 . 17166 1 667 . 1 1 57 57 PHE HE2 H 1 7.399 0.012 . 3 . 1113 . . 57 PHE HE2 . 17166 1 668 . 1 1 57 57 PHE HZ H 1 7.022 0.012 . 1 . 1159 . . 57 PHE HZ . 17166 1 669 . 1 1 57 57 PHE CA C 13 57.851 0.071 . 1 . 933 . . 57 PHE CA . 17166 1 670 . 1 1 57 57 PHE CB C 13 41.194 0.045 . 1 . 934 . . 57 PHE CB . 17166 1 671 . 1 1 57 57 PHE CD1 C 13 131.415 0.156 . 3 . 1119 . . 57 PHE CD1 . 17166 1 672 . 1 1 57 57 PHE CD2 C 13 131.415 0.156 . 3 . 1119 . . 57 PHE CD2 . 17166 1 673 . 1 1 57 57 PHE CE1 C 13 131.219 0.118 . 3 . 1114 . . 57 PHE CE1 . 17166 1 674 . 1 1 57 57 PHE CE2 C 13 131.219 0.118 . 3 . 1114 . . 57 PHE CE2 . 17166 1 675 . 1 1 57 57 PHE CZ C 13 130.715 0.151 . 1 . 1160 . . 57 PHE CZ . 17166 1 676 . 1 1 57 57 PHE N N 15 119.972 0.06 . 1 . 939 . . 57 PHE N . 17166 1 677 . 1 1 58 58 TYR H H 1 7.796 0.014 . 1 . 334 . . 58 TYR H . 17166 1 678 . 1 1 58 58 TYR HA H 1 5.064 0.009 . 1 . 709 . . 58 TYR HA . 17166 1 679 . 1 1 58 58 TYR HB2 H 1 2.672 0.011 . 1 . 711 . . 58 TYR HB2 . 17166 1 680 . 1 1 58 58 TYR HB3 H 1 2.671 0.008 . 1 . 712 . . 58 TYR HB3 . 17166 1 681 . 1 1 58 58 TYR HD1 H 1 6.934 0.012 . 3 . 1078 . . 58 TYR HD1 . 17166 1 682 . 1 1 58 58 TYR HD2 H 1 6.934 0.012 . 3 . 1078 . . 58 TYR HD2 . 17166 1 683 . 1 1 58 58 TYR HE1 H 1 6.514 0.011 . 3 . 1083 . . 58 TYR HE1 . 17166 1 684 . 1 1 58 58 TYR HE2 H 1 6.514 0.011 . 3 . 1083 . . 58 TYR HE2 . 17166 1 685 . 1 1 58 58 TYR C C 13 172.332 0.030 . 1 . 783 . . 58 TYR C . 17166 1 686 . 1 1 58 58 TYR CA C 13 57.837 0.09 . 1 . 323 . . 58 TYR CA . 17166 1 687 . 1 1 58 58 TYR CB C 13 40.081 0.067 . 1 . 710 . . 58 TYR CB . 17166 1 688 . 1 1 58 58 TYR CD1 C 13 132.681 0.118 . 3 . 1079 . . 58 TYR CD1 . 17166 1 689 . 1 1 58 58 TYR CD2 C 13 132.681 0.118 . 3 . 1079 . . 58 TYR CD2 . 17166 1 690 . 1 1 58 58 TYR CE1 C 13 117.173 0.132 . 3 . 1084 . . 58 TYR CE1 . 17166 1 691 . 1 1 58 58 TYR CE2 C 13 117.173 0.132 . 3 . 1084 . . 58 TYR CE2 . 17166 1 692 . 1 1 58 58 TYR N N 15 116.378 0.109 . 1 . 335 . . 58 TYR N . 17166 1 693 . 1 1 59 59 LEU H H 1 8.706 0.014 . 1 . 351 . . 59 LEU H . 17166 1 694 . 1 1 59 59 LEU HA H 1 4.772 0.014 . 1 . 904 . . 59 LEU HA . 17166 1 695 . 1 1 59 59 LEU HB2 H 1 2.096 0.028 . 1 . 905 . . 59 LEU HB2 . 17166 1 696 . 1 1 59 59 LEU HB3 H 1 1.525 0.013 . 1 . 906 . . 59 LEU HB3 . 17166 1 697 . 1 1 59 59 LEU HD11 H 1 1.082 0.018 . 1 . 907 . . 59 LEU HD11 . 17166 1 698 . 1 1 59 59 LEU HD12 H 1 1.082 0.018 . 1 . 907 . . 59 LEU HD12 . 17166 1 699 . 1 1 59 59 LEU HD13 H 1 1.082 0.018 . 1 . 907 . . 59 LEU HD13 . 17166 1 700 . 1 1 59 59 LEU HD21 H 1 1.037 0.011 . 1 . 908 . . 59 LEU HD21 . 17166 1 701 . 1 1 59 59 LEU HD22 H 1 1.037 0.011 . 1 . 908 . . 59 LEU HD22 . 17166 1 702 . 1 1 59 59 LEU HD23 H 1 1.037 0.011 . 1 . 908 . . 59 LEU HD23 . 17166 1 703 . 1 1 59 59 LEU HG H 1 1.757 0.009 . 1 . 909 . . 59 LEU HG . 17166 1 704 . 1 1 59 59 LEU C C 13 173.602 0.030 . 1 . 891 . . 59 LEU C . 17166 1 705 . 1 1 59 59 LEU CA C 13 53.535 0.104 . 1 . 892 . . 59 LEU CA . 17166 1 706 . 1 1 59 59 LEU CB C 13 46.652 0.055 . 1 . 394 . . 59 LEU CB . 17166 1 707 . 1 1 59 59 LEU CD1 C 13 26.797 0.136 . 1 . 902 . . 59 LEU CD1 . 17166 1 708 . 1 1 59 59 LEU CD2 C 13 23.076 0.021 . 1 . 903 . . 59 LEU CD2 . 17166 1 709 . 1 1 59 59 LEU CG C 13 27.412 0.07 . 1 . 901 . . 59 LEU CG . 17166 1 710 . 1 1 59 59 LEU N N 15 124.333 0.135 . 1 . 352 . . 59 LEU N . 17166 1 711 . 1 1 60 60 LEU H H 1 8.342 0.014 . 1 . 85 . . 60 LEU H . 17166 1 712 . 1 1 60 60 LEU HA H 1 5.039 0.015 . 1 . 506 . . 60 LEU HA . 17166 1 713 . 1 1 60 60 LEU HB2 H 1 1.590 0.01 . 1 . 893 . . 60 LEU HB2 . 17166 1 714 . 1 1 60 60 LEU HB3 H 1 1.096 0.018 . 1 . 894 . . 60 LEU HB3 . 17166 1 715 . 1 1 60 60 LEU HD11 H 1 0.523 0.02 . 1 . 896 . . 60 LEU HD11 . 17166 1 716 . 1 1 60 60 LEU HD12 H 1 0.523 0.02 . 1 . 896 . . 60 LEU HD12 . 17166 1 717 . 1 1 60 60 LEU HD13 H 1 0.523 0.02 . 1 . 896 . . 60 LEU HD13 . 17166 1 718 . 1 1 60 60 LEU HD21 H 1 0.206 0.013 . 1 . 897 . . 60 LEU HD21 . 17166 1 719 . 1 1 60 60 LEU HD22 H 1 0.206 0.013 . 1 . 897 . . 60 LEU HD22 . 17166 1 720 . 1 1 60 60 LEU HD23 H 1 0.206 0.013 . 1 . 897 . . 60 LEU HD23 . 17166 1 721 . 1 1 60 60 LEU HG H 1 1.246 0.024 . 1 . 895 . . 60 LEU HG . 17166 1 722 . 1 1 60 60 LEU C C 13 174.618 0.036 . 1 . 780 . . 60 LEU C . 17166 1 723 . 1 1 60 60 LEU CA C 13 53.379 0.044 . 1 . 283 . . 60 LEU CA . 17166 1 724 . 1 1 60 60 LEU CB C 13 44.634 0.087 . 1 . 284 . . 60 LEU CB . 17166 1 725 . 1 1 60 60 LEU CD1 C 13 25.553 0.137 . 1 . 899 . . 60 LEU CD1 . 17166 1 726 . 1 1 60 60 LEU CD2 C 13 21.236 0.03 . 1 . 900 . . 60 LEU CD2 . 17166 1 727 . 1 1 60 60 LEU CG C 13 27.739 0.142 . 1 . 898 . . 60 LEU CG . 17166 1 728 . 1 1 60 60 LEU N N 15 121.796 0.022 . 1 . 86 . . 60 LEU N . 17166 1 729 . 1 1 61 61 TYR H H 1 9.149 0.012 . 1 . 15 . . 61 TYR H . 17166 1 730 . 1 1 61 61 TYR HA H 1 5.399 0.014 . 1 . 581 . . 61 TYR HA . 17166 1 731 . 1 1 61 61 TYR HB2 H 1 2.754 0.009 . 1 . 474 . . 61 TYR HB2 . 17166 1 732 . 1 1 61 61 TYR HB3 H 1 2.638 0.011 . 1 . 475 . . 61 TYR HB3 . 17166 1 733 . 1 1 61 61 TYR HD1 H 1 7.000 0.007 . 3 . 1076 . . 61 TYR HD1 . 17166 1 734 . 1 1 61 61 TYR HD2 H 1 7.000 0.007 . 3 . 1076 . . 61 TYR HD2 . 17166 1 735 . 1 1 61 61 TYR HE1 H 1 6.429 0.009 . 3 . 1081 . . 61 TYR HE1 . 17166 1 736 . 1 1 61 61 TYR HE2 H 1 6.429 0.009 . 3 . 1081 . . 61 TYR HE2 . 17166 1 737 . 1 1 61 61 TYR C C 13 174.414 0.025 . 1 . 777 . . 61 TYR C . 17166 1 738 . 1 1 61 61 TYR CA C 13 56.652 0.07 . 1 . 183 . . 61 TYR CA . 17166 1 739 . 1 1 61 61 TYR CB C 13 40.358 0.077 . 1 . 184 . . 61 TYR CB . 17166 1 740 . 1 1 61 61 TYR CD1 C 13 132.943 0.099 . 3 . 1077 . . 61 TYR CD1 . 17166 1 741 . 1 1 61 61 TYR CD2 C 13 132.943 0.099 . 3 . 1077 . . 61 TYR CD2 . 17166 1 742 . 1 1 61 61 TYR CE1 C 13 117.922 0.116 . 3 . 1082 . . 61 TYR CE1 . 17166 1 743 . 1 1 61 61 TYR CE2 C 13 117.922 0.116 . 3 . 1082 . . 61 TYR CE2 . 17166 1 744 . 1 1 61 61 TYR N N 15 127.873 0.056 . 1 . 16 . . 61 TYR N . 17166 1 745 . 1 1 62 62 TYR H H 1 9.148 0.017 . 1 . 181 . . 62 TYR H . 17166 1 746 . 1 1 62 62 TYR HA H 1 6.127 0.009 . 1 . 439 . . 62 TYR HA . 17166 1 747 . 1 1 62 62 TYR HB2 H 1 2.884 0.016 . 1 . 440 . . 62 TYR HB2 . 17166 1 748 . 1 1 62 62 TYR HB3 H 1 2.884 0.016 . 1 . 441 . . 62 TYR HB3 . 17166 1 749 . 1 1 62 62 TYR HD1 H 1 6.650 0.009 . 3 . 1072 . . 62 TYR HD1 . 17166 1 750 . 1 1 62 62 TYR HD2 H 1 6.650 0.009 . 3 . 1072 . . 62 TYR HD2 . 17166 1 751 . 1 1 62 62 TYR HE1 H 1 6.482 0.016 . 3 . 1087 . . 62 TYR HE1 . 17166 1 752 . 1 1 62 62 TYR HE2 H 1 6.482 0.016 . 3 . 1087 . . 62 TYR HE2 . 17166 1 753 . 1 1 62 62 TYR C C 13 173.583 0.030 . 1 . 776 . . 62 TYR C . 17166 1 754 . 1 1 62 62 TYR CA C 13 55.689 0.057 . 1 . 186 . . 62 TYR CA . 17166 1 755 . 1 1 62 62 TYR CB C 13 42.718 0.121 . 1 . 185 . . 62 TYR CB . 17166 1 756 . 1 1 62 62 TYR CD1 C 13 132.957 0.131 . 3 . 1073 . . 62 TYR CD1 . 17166 1 757 . 1 1 62 62 TYR CD2 C 13 132.957 0.131 . 3 . 1073 . . 62 TYR CD2 . 17166 1 758 . 1 1 62 62 TYR CE1 C 13 117.648 0.154 . 3 . 1088 . . 62 TYR CE1 . 17166 1 759 . 1 1 62 62 TYR CE2 C 13 117.648 0.154 . 3 . 1088 . . 62 TYR CE2 . 17166 1 760 . 1 1 62 62 TYR N N 15 118.786 0.031 . 1 . 116 . . 62 TYR N . 17166 1 761 . 1 1 63 63 THR H H 1 8.211 0.009 . 1 . 135 . . 63 THR H . 17166 1 762 . 1 1 63 63 THR HA H 1 4.853 0.013 . 1 . 497 . . 63 THR HA . 17166 1 763 . 1 1 63 63 THR HB H 1 4.101 0.007 . 1 . 549 . . 63 THR HB . 17166 1 764 . 1 1 63 63 THR HG21 H 1 0.966 0.006 . 1 . 593 . . 63 THR HG21 . 17166 1 765 . 1 1 63 63 THR HG22 H 1 0.966 0.006 . 1 . 593 . . 63 THR HG22 . 17166 1 766 . 1 1 63 63 THR HG23 H 1 0.966 0.006 . 1 . 593 . . 63 THR HG23 . 17166 1 767 . 1 1 63 63 THR C C 13 171.702 0.030 . 1 . 828 . . 63 THR C . 17166 1 768 . 1 1 63 63 THR CA C 13 60.244 0.039 . 1 . 179 . . 63 THR CA . 17166 1 769 . 1 1 63 63 THR CB C 13 70.133 0.074 . 1 . 180 . . 63 THR CB . 17166 1 770 . 1 1 63 63 THR CG2 C 13 19.680 0.022 . 1 . 399 . . 63 THR CG2 . 17166 1 771 . 1 1 63 63 THR N N 15 111.951 0.103 . 1 . 136 . . 63 THR N . 17166 1 772 . 1 1 64 64 GLU H H 1 8.572 0.009 . 1 . 3 . . 64 GLU H . 17166 1 773 . 1 1 64 64 GLU HA H 1 4.335 0.015 . 1 . 634 . . 64 GLU HA . 17166 1 774 . 1 1 64 64 GLU HB2 H 1 1.736 0.008 . 1 . 632 . . 64 GLU HB2 . 17166 1 775 . 1 1 64 64 GLU HB3 H 1 1.832 0.008 . 1 . 633 . . 64 GLU HB3 . 17166 1 776 . 1 1 64 64 GLU HG2 H 1 1.888 0.012 . 1 . 756 . . 64 GLU HG2 . 17166 1 777 . 1 1 64 64 GLU HG3 H 1 1.888 0.012 . 1 . 755 . . 64 GLU HG3 . 17166 1 778 . 1 1 64 64 GLU C C 13 175.683 0.030 . 1 . 930 . . 64 GLU C . 17166 1 779 . 1 1 64 64 GLU CA C 13 56.733 0.054 . 1 . 229 . . 64 GLU CA . 17166 1 780 . 1 1 64 64 GLU CB C 13 30.050 0.06 . 1 . 230 . . 64 GLU CB . 17166 1 781 . 1 1 64 64 GLU CG C 13 36.278 0.126 . 1 . 418 . . 64 GLU CG . 17166 1 782 . 1 1 64 64 GLU N N 15 129.501 0.044 . 1 . 4 . . 64 GLU N . 17166 1 783 . 1 1 65 65 PHE H H 1 8.741 0.012 . 1 . 39 . . 65 PHE H . 17166 1 784 . 1 1 65 65 PHE HA H 1 4.829 0.015 . 1 . 455 . . 65 PHE HA . 17166 1 785 . 1 1 65 65 PHE HB2 H 1 2.787 0.016 . 1 . 932 . . 65 PHE HB2 . 17166 1 786 . 1 1 65 65 PHE HB3 H 1 2.676 0.01 . 1 . 931 . . 65 PHE HB3 . 17166 1 787 . 1 1 65 65 PHE HD1 H 1 6.185 0.013 . 3 . 1142 . . 65 PHE HD1 . 17166 1 788 . 1 1 65 65 PHE HD2 H 1 6.185 0.013 . 3 . 1142 . . 65 PHE HD2 . 17166 1 789 . 1 1 65 65 PHE HE1 H 1 6.217 0.013 . 3 . 1144 . . 65 PHE HE1 . 17166 1 790 . 1 1 65 65 PHE HE2 H 1 6.217 0.013 . 3 . 1144 . . 65 PHE HE2 . 17166 1 791 . 1 1 65 65 PHE HZ H 1 5.735 0.008 . 1 . 1146 . . 65 PHE HZ . 17166 1 792 . 1 1 65 65 PHE C C 13 171.828 0.030 . 1 . 827 . . 65 PHE C . 17166 1 793 . 1 1 65 65 PHE CA C 13 55.365 0.083 . 1 . 231 . . 65 PHE CA . 17166 1 794 . 1 1 65 65 PHE CB C 13 41.049 0.046 . 1 . 232 . . 65 PHE CB . 17166 1 795 . 1 1 65 65 PHE CD1 C 13 131.263 0.17 . 3 . 1143 . . 65 PHE CD1 . 17166 1 796 . 1 1 65 65 PHE CD2 C 13 131.263 0.17 . 3 . 1143 . . 65 PHE CD2 . 17166 1 797 . 1 1 65 65 PHE CE1 C 13 129.461 0.099 . 3 . 1145 . . 65 PHE CE1 . 17166 1 798 . 1 1 65 65 PHE CE2 C 13 129.461 0.099 . 3 . 1145 . . 65 PHE CE2 . 17166 1 799 . 1 1 65 65 PHE CZ C 13 127.743 0.126 . 1 . 1147 . . 65 PHE CZ . 17166 1 800 . 1 1 65 65 PHE N N 15 125.438 0.026 . 1 . 40 . . 65 PHE N . 17166 1 801 . 1 1 66 66 THR H H 1 8.383 0.009 . 1 . 121 . . 66 THR H . 17166 1 802 . 1 1 66 66 THR HA H 1 4.461 0.008 . 1 . 553 . . 66 THR HA . 17166 1 803 . 1 1 66 66 THR HB H 1 3.851 0.019 . 1 . 552 . . 66 THR HB . 17166 1 804 . 1 1 66 66 THR HG21 H 1 0.836 0.009 . 1 . 594 . . 66 THR HG21 . 17166 1 805 . 1 1 66 66 THR HG22 H 1 0.836 0.009 . 1 . 594 . . 66 THR HG22 . 17166 1 806 . 1 1 66 66 THR HG23 H 1 0.836 0.009 . 1 . 594 . . 66 THR HG23 . 17166 1 807 . 1 1 66 66 THR C C 13 171.966 0.030 . 1 . 995 . . 66 THR C . 17166 1 808 . 1 1 66 66 THR CA C 13 58.589 0.039 . 1 . 233 . . 66 THR CA . 17166 1 809 . 1 1 66 66 THR CB C 13 70.072 0.048 . 1 . 234 . . 66 THR CB . 17166 1 810 . 1 1 66 66 THR CG2 C 13 20.596 0.021 . 1 . 554 . . 66 THR CG2 . 17166 1 811 . 1 1 66 66 THR N N 15 117.339 0.033 . 1 . 122 . . 66 THR N . 17166 1 812 . 1 1 67 67 PRO HA H 1 4.593 0.019 . 1 . 438 . . 67 PRO HA . 17166 1 813 . 1 1 67 67 PRO HB2 H 1 2.430 0.011 . 1 . 627 . . 67 PRO HB2 . 17166 1 814 . 1 1 67 67 PRO HB3 H 1 2.183 0.008 . 1 . 1002 . . 67 PRO HB3 . 17166 1 815 . 1 1 67 67 PRO HD2 H 1 4.002 0.009 . 1 . 623 . . 67 PRO HD2 . 17166 1 816 . 1 1 67 67 PRO HD3 H 1 2.186 0.009 . 1 . 626 . . 67 PRO HD3 . 17166 1 817 . 1 1 67 67 PRO HG2 H 1 2.005 0.011 . 1 . 1003 . . 67 PRO HG2 . 17166 1 818 . 1 1 67 67 PRO HG3 H 1 1.416 0.007 . 1 . 1004 . . 67 PRO HG3 . 17166 1 819 . 1 1 67 67 PRO C C 13 175.025 0.012 . 1 . 826 . . 67 PRO C . 17166 1 820 . 1 1 67 67 PRO CA C 13 63.086 0.045 . 1 . 369 . . 67 PRO CA . 17166 1 821 . 1 1 67 67 PRO CB C 13 32.145 0.085 . 1 . 368 . . 67 PRO CB . 17166 1 822 . 1 1 67 67 PRO CD C 13 51.103 0.135 . 1 . 379 . . 67 PRO CD . 17166 1 823 . 1 1 67 67 PRO CG C 13 26.855 0.08 . 1 . 380 . . 67 PRO CG . 17166 1 824 . 1 1 67 67 PRO N N 15 107.299 0.030 . 1 . 1124 . . 67 PRO N . 17166 1 825 . 1 1 68 68 THR H H 1 8.136 0.014 . 1 . 141 . . 68 THR H . 17166 1 826 . 1 1 68 68 THR HA H 1 4.641 0.009 . 1 . 473 . . 68 THR HA . 17166 1 827 . 1 1 68 68 THR HB H 1 4.529 0.01 . 1 . 551 . . 68 THR HB . 17166 1 828 . 1 1 68 68 THR HG21 H 1 1.307 0.007 . 1 . 556 . . 68 THR HG21 . 17166 1 829 . 1 1 68 68 THR HG22 H 1 1.307 0.007 . 1 . 556 . . 68 THR HG22 . 17166 1 830 . 1 1 68 68 THR HG23 H 1 1.307 0.007 . 1 . 556 . . 68 THR HG23 . 17166 1 831 . 1 1 68 68 THR C C 13 175.307 0.03 . 1 . 825 . . 68 THR C . 17166 1 832 . 1 1 68 68 THR CA C 13 60.200 0.083 . 1 . 159 . . 68 THR CA . 17166 1 833 . 1 1 68 68 THR CB C 13 72.890 0.093 . 1 . 161 . . 68 THR CB . 17166 1 834 . 1 1 68 68 THR CG2 C 13 21.579 0.038 . 1 . 393 . . 68 THR CG2 . 17166 1 835 . 1 1 68 68 THR N N 15 110.392 0.076 . 1 . 142 . . 68 THR N . 17166 1 836 . 1 1 69 69 GLU H H 1 9.190 0.013 . 1 . 115 . . 69 GLU H . 17166 1 837 . 1 1 69 69 GLU HA H 1 4.191 0.014 . 1 . 449 . . 69 GLU HA . 17166 1 838 . 1 1 69 69 GLU HB2 H 1 2.079 0.008 . 1 . 750 . . 69 GLU HB2 . 17166 1 839 . 1 1 69 69 GLU HB3 H 1 2.038 0.008 . 1 . 751 . . 69 GLU HB3 . 17166 1 840 . 1 1 69 69 GLU HG2 H 1 2.342 0.007 . 1 . 752 . . 69 GLU HG2 . 17166 1 841 . 1 1 69 69 GLU HG3 H 1 2.271 0.007 . 1 . 753 . . 69 GLU HG3 . 17166 1 842 . 1 1 69 69 GLU C C 13 177.844 0.022 . 1 . 957 . . 69 GLU C . 17166 1 843 . 1 1 69 69 GLU CA C 13 59.105 0.054 . 1 . 160 . . 69 GLU CA . 17166 1 844 . 1 1 69 69 GLU CB C 13 29.988 0.051 . 1 . 162 . . 69 GLU CB . 17166 1 845 . 1 1 69 69 GLU CG C 13 36.243 0.097 . 1 . 383 . . 69 GLU CG . 17166 1 846 . 1 1 69 69 GLU N N 15 118.922 0.064 . 1 . 182 . . 69 GLU N . 17166 1 847 . 1 1 70 70 LYS H H 1 7.927 0.01 . 1 . 129 . . 70 LYS H . 17166 1 848 . 1 1 70 70 LYS HA H 1 4.475 0.015 . 1 . 457 . . 70 LYS HA . 17166 1 849 . 1 1 70 70 LYS HB2 H 1 1.862 0.007 . 1 . 599 . . 70 LYS HB2 . 17166 1 850 . 1 1 70 70 LYS HB3 H 1 1.784 0.006 . 1 . 600 . . 70 LYS HB3 . 17166 1 851 . 1 1 70 70 LYS HD2 H 1 1.657 0.009 . 1 . 597 . . 70 LYS HD2 . 17166 1 852 . 1 1 70 70 LYS HD3 H 1 1.660 0.011 . 1 . 598 . . 70 LYS HD3 . 17166 1 853 . 1 1 70 70 LYS HE2 H 1 2.975 0.014 . 1 . 458 . . 70 LYS HE2 . 17166 1 854 . 1 1 70 70 LYS HE3 H 1 2.975 0.014 . 1 . 459 . . 70 LYS HE3 . 17166 1 855 . 1 1 70 70 LYS HG2 H 1 1.384 0.007 . 1 . 595 . . 70 LYS HG2 . 17166 1 856 . 1 1 70 70 LYS HG3 H 1 1.384 0.007 . 1 . 596 . . 70 LYS HG3 . 17166 1 857 . 1 1 70 70 LYS C C 13 176.866 0.013 . 1 . 868 . . 70 LYS C . 17166 1 858 . 1 1 70 70 LYS CA C 13 56.295 0.086 . 1 . 163 . . 70 LYS CA . 17166 1 859 . 1 1 70 70 LYS CB C 13 34.127 0.122 . 1 . 164 . . 70 LYS CB . 17166 1 860 . 1 1 70 70 LYS CD C 13 28.855 0.053 . 1 . 386 . . 70 LYS CD . 17166 1 861 . 1 1 70 70 LYS CE C 13 41.984 0.116 . 1 . 385 . . 70 LYS CE . 17166 1 862 . 1 1 70 70 LYS CG C 13 24.750 0.119 . 1 . 387 . . 70 LYS CG . 17166 1 863 . 1 1 70 70 LYS N N 15 113.681 0.088 . 1 . 130 . . 70 LYS N . 17166 1 864 . 1 1 71 71 ASP H H 1 7.186 0.011 . 1 . 117 . . 71 ASP H . 17166 1 865 . 1 1 71 71 ASP HA H 1 5.104 0.013 . 1 . 535 . . 71 ASP HA . 17166 1 866 . 1 1 71 71 ASP HB2 H 1 2.853 0.015 . 1 . 536 . . 71 ASP HB2 . 17166 1 867 . 1 1 71 71 ASP HB3 H 1 2.159 0.017 . 1 . 664 . . 71 ASP HB3 . 17166 1 868 . 1 1 71 71 ASP C C 13 175.217 0.046 . 1 . 867 . . 71 ASP C . 17166 1 869 . 1 1 71 71 ASP CA C 13 55.514 0.057 . 1 . 165 . . 71 ASP CA . 17166 1 870 . 1 1 71 71 ASP CB C 13 43.413 0.096 . 1 . 166 . . 71 ASP CB . 17166 1 871 . 1 1 71 71 ASP N N 15 118.175 0.031 . 1 . 118 . . 71 ASP N . 17166 1 872 . 1 1 72 72 GLU H H 1 8.656 0.012 . 1 . 73 . . 72 GLU H . 17166 1 873 . 1 1 72 72 GLU HA H 1 4.806 0.019 . 1 . 478 . . 72 GLU HA . 17166 1 874 . 1 1 72 72 GLU HB2 H 1 2.053 0.007 . 1 . 758 . . 72 GLU HB2 . 17166 1 875 . 1 1 72 72 GLU HB3 H 1 1.972 0.006 . 1 . 759 . . 72 GLU HB3 . 17166 1 876 . 1 1 72 72 GLU HG2 H 1 2.387 0.007 . 1 . 757 . . 72 GLU HG2 . 17166 1 877 . 1 1 72 72 GLU HG3 H 1 2.114 0.009 . 1 . 678 . . 72 GLU HG3 . 17166 1 878 . 1 1 72 72 GLU C C 13 175.054 0.030 . 1 . 774 . . 72 GLU C . 17166 1 879 . 1 1 72 72 GLU CA C 13 54.842 0.085 . 1 . 167 . . 72 GLU CA . 17166 1 880 . 1 1 72 72 GLU CB C 13 32.914 0.07 . 1 . 168 . . 72 GLU CB . 17166 1 881 . 1 1 72 72 GLU CG C 13 36.869 0.04 . 1 . 414 . . 72 GLU CG . 17166 1 882 . 1 1 72 72 GLU N N 15 122.800 0.035 . 1 . 74 . . 72 GLU N . 17166 1 883 . 1 1 73 73 TYR H H 1 9.604 0.01 . 1 . 65 . . 73 TYR H . 17166 1 884 . 1 1 73 73 TYR HA H 1 5.711 0.01 . 1 . 481 . . 73 TYR HA . 17166 1 885 . 1 1 73 73 TYR HB2 H 1 2.815 0.011 . 1 . 482 . . 73 TYR HB2 . 17166 1 886 . 1 1 73 73 TYR HB3 H 1 2.727 0.017 . 1 . 483 . . 73 TYR HB3 . 17166 1 887 . 1 1 73 73 TYR HD1 H 1 7.105 0.011 . 3 . 1155 . . 73 TYR HD1 . 17166 1 888 . 1 1 73 73 TYR HD2 H 1 7.105 0.011 . 3 . 1155 . . 73 TYR HD2 . 17166 1 889 . 1 1 73 73 TYR HE1 H 1 6.899 0.012 . 3 . 1157 . . 73 TYR HE1 . 17166 1 890 . 1 1 73 73 TYR HE2 H 1 6.899 0.012 . 3 . 1157 . . 73 TYR HE2 . 17166 1 891 . 1 1 73 73 TYR C C 13 175.406 0.002 . 1 . 775 . . 73 TYR C . 17166 1 892 . 1 1 73 73 TYR CA C 13 56.753 0.054 . 1 . 253 . . 73 TYR CA . 17166 1 893 . 1 1 73 73 TYR CB C 13 43.150 0.121 . 1 . 254 . . 73 TYR CB . 17166 1 894 . 1 1 73 73 TYR CD1 C 13 133.200 0.102 . 3 . 1156 . . 73 TYR CD1 . 17166 1 895 . 1 1 73 73 TYR CD2 C 13 133.200 0.102 . 3 . 1156 . . 73 TYR CD2 . 17166 1 896 . 1 1 73 73 TYR CE1 C 13 117.230 0.11 . 3 . 1158 . . 73 TYR CE1 . 17166 1 897 . 1 1 73 73 TYR CE2 C 13 117.230 0.11 . 3 . 1158 . . 73 TYR CE2 . 17166 1 898 . 1 1 73 73 TYR N N 15 123.478 0.036 . 1 . 66 . . 73 TYR N . 17166 1 899 . 1 1 74 74 ALA H H 1 8.789 0.013 . 1 . 93 . . 74 ALA H . 17166 1 900 . 1 1 74 74 ALA HA H 1 5.046 0.008 . 1 . 578 . . 74 ALA HA . 17166 1 901 . 1 1 74 74 ALA HB1 H 1 1.209 0.011 . 1 . 472 . . 74 ALA HB1 . 17166 1 902 . 1 1 74 74 ALA HB2 H 1 1.209 0.011 . 1 . 472 . . 74 ALA HB2 . 17166 1 903 . 1 1 74 74 ALA HB3 H 1 1.209 0.011 . 1 . 472 . . 74 ALA HB3 . 17166 1 904 . 1 1 74 74 ALA C C 13 173.725 0.028 . 1 . 831 . . 74 ALA C . 17166 1 905 . 1 1 74 74 ALA CA C 13 51.104 0.093 . 1 . 251 . . 74 ALA CA . 17166 1 906 . 1 1 74 74 ALA CB C 13 24.174 0.102 . 1 . 252 . . 74 ALA CB . 17166 1 907 . 1 1 74 74 ALA N N 15 121.046 0.066 . 1 . 94 . . 74 ALA N . 17166 1 908 . 1 1 75 75 CYS H H 1 9.165 0.009 . 1 . 103 . . 75 CYS H . 17166 1 909 . 1 1 75 75 CYS HA H 1 5.040 0.011 . 1 . 505 . . 75 CYS HA . 17166 1 910 . 1 1 75 75 CYS HB2 H 1 2.611 0.011 . 1 . 608 . . 75 CYS HB2 . 17166 1 911 . 1 1 75 75 CYS HB3 H 1 3.010 0.009 . 1 . 606 . . 75 CYS HB3 . 17166 1 912 . 1 1 75 75 CYS C C 13 171.096 0.007 . 1 . 842 . . 75 CYS C . 17166 1 913 . 1 1 75 75 CYS CA C 13 53.126 0.048 . 1 . 249 . . 75 CYS CA . 17166 1 914 . 1 1 75 75 CYS CB C 13 43.365 0.051 . 1 . 250 . . 75 CYS CB . 17166 1 915 . 1 1 75 75 CYS N N 15 119.985 0.055 . 1 . 104 . . 75 CYS N . 17166 1 916 . 1 1 76 76 ARG H H 1 9.406 0.011 . 1 . 9 . . 76 ARG H . 17166 1 917 . 1 1 76 76 ARG HA H 1 5.409 0.008 . 1 . 601 . . 76 ARG HA . 17166 1 918 . 1 1 76 76 ARG HB2 H 1 1.882 0.008 . 1 . 607 . . 76 ARG HB2 . 17166 1 919 . 1 1 76 76 ARG HB3 H 1 1.146 0.006 . 1 . 841 . . 76 ARG HB3 . 17166 1 920 . 1 1 76 76 ARG HD2 H 1 3.091 0.005 . 1 . 602 . . 76 ARG HD2 . 17166 1 921 . 1 1 76 76 ARG HD3 H 1 2.892 0.011 . 1 . 603 . . 76 ARG HD3 . 17166 1 922 . 1 1 76 76 ARG HG2 H 1 1.327 0.011 . 1 . 604 . . 76 ARG HG2 . 17166 1 923 . 1 1 76 76 ARG HG3 H 1 1.308 0.007 . 1 . 605 . . 76 ARG HG3 . 17166 1 924 . 1 1 76 76 ARG C C 13 173.518 0.016 . 1 . 799 . . 76 ARG C . 17166 1 925 . 1 1 76 76 ARG CA C 13 53.689 0.062 . 1 . 247 . . 76 ARG CA . 17166 1 926 . 1 1 76 76 ARG CB C 13 34.470 0.075 . 1 . 248 . . 76 ARG CB . 17166 1 927 . 1 1 76 76 ARG CD C 13 43.938 0.053 . 1 . 406 . . 76 ARG CD . 17166 1 928 . 1 1 76 76 ARG CG C 13 26.562 0.102 . 1 . 407 . . 76 ARG CG . 17166 1 929 . 1 1 76 76 ARG N N 15 128.416 0.047 . 1 . 10 . . 76 ARG N . 17166 1 930 . 1 1 77 77 VAL H H 1 9.103 0.008 . 1 . 31 . . 77 VAL H . 17166 1 931 . 1 1 77 77 VAL HA H 1 4.579 0.014 . 1 . 527 . . 77 VAL HA . 17166 1 932 . 1 1 77 77 VAL HB H 1 1.761 0.006 . 1 . 528 . . 77 VAL HB . 17166 1 933 . 1 1 77 77 VAL HG11 H 1 0.533 0.009 . 1 . 717 . . 77 VAL HG11 . 17166 1 934 . 1 1 77 77 VAL HG12 H 1 0.533 0.009 . 1 . 717 . . 77 VAL HG12 . 17166 1 935 . 1 1 77 77 VAL HG13 H 1 0.533 0.009 . 1 . 717 . . 77 VAL HG13 . 17166 1 936 . 1 1 77 77 VAL HG21 H 1 0.809 0.01 . 1 . 718 . . 77 VAL HG21 . 17166 1 937 . 1 1 77 77 VAL HG22 H 1 0.809 0.01 . 1 . 718 . . 77 VAL HG22 . 17166 1 938 . 1 1 77 77 VAL HG23 H 1 0.809 0.01 . 1 . 718 . . 77 VAL HG23 . 17166 1 939 . 1 1 77 77 VAL C C 13 173.883 0.026 . 1 . 800 . . 77 VAL C . 17166 1 940 . 1 1 77 77 VAL CA C 13 61.027 0.052 . 1 . 169 . . 77 VAL CA . 17166 1 941 . 1 1 77 77 VAL CB C 13 35.062 0.133 . 1 . 170 . . 77 VAL CB . 17166 1 942 . 1 1 77 77 VAL CG1 C 13 20.855 0.147 . 1 . 798 . . 77 VAL CG1 . 17166 1 943 . 1 1 77 77 VAL CG2 C 13 22.812 0.183 . 1 . 797 . . 77 VAL CG2 . 17166 1 944 . 1 1 77 77 VAL N N 15 126.585 0.048 . 1 . 32 . . 77 VAL N . 17166 1 945 . 1 1 78 78 ASN H H 1 8.889 0.011 . 1 . 47 . . 78 ASN H . 17166 1 946 . 1 1 78 78 ASN HA H 1 5.133 0.007 . 1 . 490 . . 78 ASN HA . 17166 1 947 . 1 1 78 78 ASN HB2 H 1 2.425 0.011 . 1 . 660 . . 78 ASN HB2 . 17166 1 948 . 1 1 78 78 ASN HB3 H 1 2.789 0.008 . 1 . 661 . . 78 ASN HB3 . 17166 1 949 . 1 1 78 78 ASN HD21 H 1 7.457 0.007 . 1 . 1127 . . 78 ASN HD21 . 17166 1 950 . 1 1 78 78 ASN HD22 H 1 6.666 0.005 . 1 . 1129 . . 78 ASN HD22 . 17166 1 951 . 1 1 78 78 ASN C C 13 173.370 0.009 . 1 . 823 . . 78 ASN C . 17166 1 952 . 1 1 78 78 ASN CA C 13 50.960 0.053 . 1 . 171 . . 78 ASN CA . 17166 1 953 . 1 1 78 78 ASN CB C 13 41.668 0.094 . 1 . 172 . . 78 ASN CB . 17166 1 954 . 1 1 78 78 ASN N N 15 124.797 0.038 . 1 . 48 . . 78 ASN N . 17166 1 955 . 1 1 78 78 ASN ND2 N 15 111.419 0.021 . 1 . 1128 . . 78 ASN ND2 . 17166 1 956 . 1 1 79 79 HIS H H 1 7.991 0.007 . 1 . 71 . . 79 HIS H . 17166 1 957 . 1 1 79 79 HIS HA H 1 4.629 0.021 . 1 . 491 . . 79 HIS HA . 17166 1 958 . 1 1 79 79 HIS HB2 H 1 2.612 0.03 . 1 . 492 . . 79 HIS HB2 . 17166 1 959 . 1 1 79 79 HIS HB3 H 1 2.553 0.021 . 1 . 493 . . 79 HIS HB3 . 17166 1 960 . 1 1 79 79 HIS HD2 H 1 6.551 0.007 . 1 . 765 . . 79 HIS HD2 . 17166 1 961 . 1 1 79 79 HIS C C 13 175.974 0.030 . 1 . 802 . . 79 HIS C . 17166 1 962 . 1 1 79 79 HIS CA C 13 56.737 0.069 . 1 . 173 . . 79 HIS CA . 17166 1 963 . 1 1 79 79 HIS CB C 13 34.289 0.133 . 1 . 174 . . 79 HIS CB . 17166 1 964 . 1 1 79 79 HIS CD2 C 13 118.523 0.097 . 1 . 766 . . 79 HIS CD2 . 17166 1 965 . 1 1 79 79 HIS N N 15 123.041 0.032 . 1 . 72 . . 79 HIS N . 17166 1 966 . 1 1 80 80 VAL H H 1 7.751 0.009 . 1 . 55 . . 80 VAL H . 17166 1 967 . 1 1 80 80 VAL HA H 1 3.926 0.006 . 1 . 442 . . 80 VAL HA . 17166 1 968 . 1 1 80 80 VAL HB H 1 2.024 0.025 . 1 . 443 . . 80 VAL HB . 17166 1 969 . 1 1 80 80 VAL HG11 H 1 0.849 0.024 . 1 . 444 . . 80 VAL HG11 . 17166 1 970 . 1 1 80 80 VAL HG12 H 1 0.849 0.024 . 1 . 444 . . 80 VAL HG12 . 17166 1 971 . 1 1 80 80 VAL HG13 H 1 0.849 0.024 . 1 . 444 . . 80 VAL HG13 . 17166 1 972 . 1 1 80 80 VAL HG21 H 1 0.776 0.017 . 1 . 445 . . 80 VAL HG21 . 17166 1 973 . 1 1 80 80 VAL HG22 H 1 0.776 0.017 . 1 . 445 . . 80 VAL HG22 . 17166 1 974 . 1 1 80 80 VAL HG23 H 1 0.776 0.017 . 1 . 445 . . 80 VAL HG23 . 17166 1 975 . 1 1 80 80 VAL C C 13 176.787 0.023 . 1 . 801 . . 80 VAL C . 17166 1 976 . 1 1 80 80 VAL CA C 13 64.959 0.045 . 1 . 175 . . 80 VAL CA . 17166 1 977 . 1 1 80 80 VAL CB C 13 31.688 0.068 . 1 . 176 . . 80 VAL CB . 17166 1 978 . 1 1 80 80 VAL CG1 C 13 20.378 0.202 . 1 . 381 . . 80 VAL CG1 . 17166 1 979 . 1 1 80 80 VAL CG2 C 13 20.400 0.201 . 1 . 382 . . 80 VAL CG2 . 17166 1 980 . 1 1 80 80 VAL N N 15 124.198 0.056 . 1 . 56 . . 80 VAL N . 17166 1 981 . 1 1 81 81 THR H H 1 8.819 0.01 . 1 . 131 . . 81 THR H . 17166 1 982 . 1 1 81 81 THR HA H 1 4.331 0.008 . 1 . 488 . . 81 THR HA . 17166 1 983 . 1 1 81 81 THR HB H 1 4.424 0.011 . 1 . 550 . . 81 THR HB . 17166 1 984 . 1 1 81 81 THR HG21 H 1 1.430 0.013 . 1 . 489 . . 81 THR HG21 . 17166 1 985 . 1 1 81 81 THR HG22 H 1 1.430 0.013 . 1 . 489 . . 81 THR HG22 . 17166 1 986 . 1 1 81 81 THR HG23 H 1 1.430 0.013 . 1 . 489 . . 81 THR HG23 . 17166 1 987 . 1 1 81 81 THR C C 13 175.291 0.035 . 1 . 824 . . 81 THR C . 17166 1 988 . 1 1 81 81 THR CA C 13 63.283 0.074 . 1 . 177 . . 81 THR CA . 17166 1 989 . 1 1 81 81 THR CB C 13 70.007 0.103 . 1 . 178 . . 81 THR CB . 17166 1 990 . 1 1 81 81 THR CG2 C 13 22.868 0.083 . 1 . 555 . . 81 THR CG2 . 17166 1 991 . 1 1 81 81 THR N N 15 112.899 0.082 . 1 . 132 . . 81 THR N . 17166 1 992 . 1 1 82 82 LEU H H 1 7.979 0.017 . 1 . 79 . . 82 LEU H . 17166 1 993 . 1 1 82 82 LEU HA H 1 4.622 0.007 . 1 . 700 . . 82 LEU HA . 17166 1 994 . 1 1 82 82 LEU HB2 H 1 1.848 0.014 . 1 . 703 . . 82 LEU HB2 . 17166 1 995 . 1 1 82 82 LEU HB3 H 1 1.664 0.007 . 1 . 886 . . 82 LEU HB3 . 17166 1 996 . 1 1 82 82 LEU HD11 H 1 0.865 0.01 . 1 . 701 . . 82 LEU HD11 . 17166 1 997 . 1 1 82 82 LEU HD12 H 1 0.865 0.01 . 1 . 701 . . 82 LEU HD12 . 17166 1 998 . 1 1 82 82 LEU HD13 H 1 0.865 0.01 . 1 . 701 . . 82 LEU HD13 . 17166 1 999 . 1 1 82 82 LEU HD21 H 1 0.907 0.006 . 1 . 702 . . 82 LEU HD21 . 17166 1 1000 . 1 1 82 82 LEU HD22 H 1 0.907 0.006 . 1 . 702 . . 82 LEU HD22 . 17166 1 1001 . 1 1 82 82 LEU HD23 H 1 0.907 0.006 . 1 . 702 . . 82 LEU HD23 . 17166 1 1002 . 1 1 82 82 LEU HG H 1 1.551 0.009 . 1 . 887 . . 82 LEU HG . 17166 1 1003 . 1 1 82 82 LEU C C 13 177.647 0.030 . 1 . 994 . . 82 LEU C . 17166 1 1004 . 1 1 82 82 LEU CA C 13 54.102 0.083 . 1 . 198 . . 82 LEU CA . 17166 1 1005 . 1 1 82 82 LEU CB C 13 42.415 0.044 . 1 . 199 . . 82 LEU CB . 17166 1 1006 . 1 1 82 82 LEU CD1 C 13 25.666 0.087 . 1 . 888 . . 82 LEU CD1 . 17166 1 1007 . 1 1 82 82 LEU CD2 C 13 22.840 0.107 . 1 . 889 . . 82 LEU CD2 . 17166 1 1008 . 1 1 82 82 LEU CG C 13 26.914 0.111 . 1 . 890 . . 82 LEU CG . 17166 1 1009 . 1 1 82 82 LEU N N 15 122.409 0.042 . 1 . 80 . . 82 LEU N . 17166 1 1010 . 1 1 83 83 SER HA H 1 4.257 0.011 . 1 . 456 . . 83 SER HA . 17166 1 1011 . 1 1 83 83 SER HB2 H 1 3.954 0.011 . 1 . 574 . . 83 SER HB2 . 17166 1 1012 . 1 1 83 83 SER HB3 H 1 3.954 0.011 . 1 . 575 . . 83 SER HB3 . 17166 1 1013 . 1 1 83 83 SER C C 13 174.252 0.022 . 1 . 950 . . 83 SER C . 17166 1 1014 . 1 1 83 83 SER CA C 13 60.039 0.056 . 1 . 374 . . 83 SER CA . 17166 1 1015 . 1 1 83 83 SER CB C 13 63.007 0.101 . 1 . 373 . . 83 SER CB . 17166 1 1016 . 1 1 84 84 GLN H H 1 7.596 0.011 . 1 . 119 . . 84 GLN H . 17166 1 1017 . 1 1 84 84 GLN HA H 1 4.767 0.006 . 1 . 671 . . 84 GLN HA . 17166 1 1018 . 1 1 84 84 GLN HB2 H 1 2.130 0.006 . 1 . 675 . . 84 GLN HB2 . 17166 1 1019 . 1 1 84 84 GLN HB3 H 1 1.895 0.005 . 1 . 949 . . 84 GLN HB3 . 17166 1 1020 . 1 1 84 84 GLN HE21 H 1 7.609 0.004 . 1 . 1130 . . 84 GLN HE21 . 17166 1 1021 . 1 1 84 84 GLN HE22 H 1 6.912 0.006 . 1 . 1132 . . 84 GLN HE22 . 17166 1 1022 . 1 1 84 84 GLN HG2 H 1 2.303 0.01 . 1 . 673 . . 84 GLN HG2 . 17166 1 1023 . 1 1 84 84 GLN HG3 H 1 2.304 0.011 . 1 . 674 . . 84 GLN HG3 . 17166 1 1024 . 1 1 84 84 GLN C C 13 172.720 0.030 . 1 . 993 . . 84 GLN C . 17166 1 1025 . 1 1 84 84 GLN CA C 13 53.273 0.089 . 1 . 291 . . 84 GLN CA . 17166 1 1026 . 1 1 84 84 GLN CB C 13 30.128 0.147 . 1 . 292 . . 84 GLN CB . 17166 1 1027 . 1 1 84 84 GLN CG C 13 33.141 0.05 . 1 . 672 . . 84 GLN CG . 17166 1 1028 . 1 1 84 84 GLN N N 15 117.787 0.028 . 1 . 120 . . 84 GLN N . 17166 1 1029 . 1 1 84 84 GLN NE2 N 15 112.287 0.038 . 1 . 1131 . . 84 GLN NE2 . 17166 1 1030 . 1 1 85 85 PRO HA H 1 4.621 0.016 . 1 . 533 . . 85 PRO HA . 17166 1 1031 . 1 1 85 85 PRO HB2 H 1 1.918 0.007 . 1 . 590 . . 85 PRO HB2 . 17166 1 1032 . 1 1 85 85 PRO HB3 H 1 1.476 0.01 . 1 . 999 . . 85 PRO HB3 . 17166 1 1033 . 1 1 85 85 PRO HD2 H 1 3.603 0.01 . 1 . 534 . . 85 PRO HD2 . 17166 1 1034 . 1 1 85 85 PRO HD3 H 1 3.725 0.006 . 1 . 625 . . 85 PRO HD3 . 17166 1 1035 . 1 1 85 85 PRO HG2 H 1 1.933 0.005 . 1 . 1000 . . 85 PRO HG2 . 17166 1 1036 . 1 1 85 85 PRO HG3 H 1 1.850 0.009 . 1 . 1001 . . 85 PRO HG3 . 17166 1 1037 . 1 1 85 85 PRO C C 13 176.280 0.031 . 1 . 967 . . 85 PRO C . 17166 1 1038 . 1 1 85 85 PRO CA C 13 63.039 0.062 . 1 . 426 . . 85 PRO CA . 17166 1 1039 . 1 1 85 85 PRO CB C 13 32.402 0.09 . 1 . 425 . . 85 PRO CB . 17166 1 1040 . 1 1 85 85 PRO CD C 13 50.333 0.122 . 1 . 423 . . 85 PRO CD . 17166 1 1041 . 1 1 85 85 PRO CG C 13 27.160 0.127 . 1 . 424 . . 85 PRO CG . 17166 1 1042 . 1 1 85 85 PRO N N 15 101.071 0.030 . 1 . 1122 . . 85 PRO N . 17166 1 1043 . 1 1 86 86 LYS H H 1 8.590 0.01 . 1 . 69 . . 86 LYS H . 17166 1 1044 . 1 1 86 86 LYS HA H 1 4.509 0.011 . 1 . 530 . . 86 LYS HA . 17166 1 1045 . 1 1 86 86 LYS HB2 H 1 1.726 0.005 . 1 . 968 . . 86 LYS HB2 . 17166 1 1046 . 1 1 86 86 LYS HB3 H 1 1.758 0.013 . 1 . 969 . . 86 LYS HB3 . 17166 1 1047 . 1 1 86 86 LYS HD2 H 1 1.704 0.005 . 1 . 621 . . 86 LYS HD2 . 17166 1 1048 . 1 1 86 86 LYS HD3 H 1 1.704 0.005 . 1 . 622 . . 86 LYS HD3 . 17166 1 1049 . 1 1 86 86 LYS HE2 H 1 3.017 0.011 . 1 . 531 . . 86 LYS HE2 . 17166 1 1050 . 1 1 86 86 LYS HE3 H 1 3.017 0.011 . 1 . 532 . . 86 LYS HE3 . 17166 1 1051 . 1 1 86 86 LYS HG2 H 1 1.427 0.005 . 1 . 619 . . 86 LYS HG2 . 17166 1 1052 . 1 1 86 86 LYS HG3 H 1 1.385 0.008 . 1 . 620 . . 86 LYS HG3 . 17166 1 1053 . 1 1 86 86 LYS C C 13 174.814 0.039 . 1 . 963 . . 86 LYS C . 17166 1 1054 . 1 1 86 86 LYS CA C 13 55.115 0.073 . 1 . 192 . . 86 LYS CA . 17166 1 1055 . 1 1 86 86 LYS CB C 13 34.309 0.089 . 1 . 193 . . 86 LYS CB . 17166 1 1056 . 1 1 86 86 LYS CD C 13 28.927 0.017 . 1 . 421 . . 86 LYS CD . 17166 1 1057 . 1 1 86 86 LYS CE C 13 42.180 0.038 . 1 . 420 . . 86 LYS CE . 17166 1 1058 . 1 1 86 86 LYS CG C 13 25.042 0.013 . 1 . 422 . . 86 LYS CG . 17166 1 1059 . 1 1 86 86 LYS N N 15 123.355 0.033 . 1 . 70 . . 86 LYS N . 17166 1 1060 . 1 1 87 87 ILE H H 1 8.539 0.008 . 1 . 53 . . 87 ILE H . 17166 1 1061 . 1 1 87 87 ILE HA H 1 4.901 0.01 . 1 . 500 . . 87 ILE HA . 17166 1 1062 . 1 1 87 87 ILE HB H 1 1.647 0.011 . 1 . 694 . . 87 ILE HB . 17166 1 1063 . 1 1 87 87 ILE HD11 H 1 0.743 0.005 . 1 . 736 . . 87 ILE HD11 . 17166 1 1064 . 1 1 87 87 ILE HD12 H 1 0.743 0.005 . 1 . 736 . . 87 ILE HD12 . 17166 1 1065 . 1 1 87 87 ILE HD13 H 1 0.743 0.005 . 1 . 736 . . 87 ILE HD13 . 17166 1 1066 . 1 1 87 87 ILE HG12 H 1 1.413 0.005 . 1 . 738 . . 87 ILE HG12 . 17166 1 1067 . 1 1 87 87 ILE HG13 H 1 0.692 0.018 . 1 . 739 . . 87 ILE HG13 . 17166 1 1068 . 1 1 87 87 ILE HG21 H 1 0.633 0.006 . 1 . 737 . . 87 ILE HG21 . 17166 1 1069 . 1 1 87 87 ILE HG22 H 1 0.633 0.006 . 1 . 737 . . 87 ILE HG22 . 17166 1 1070 . 1 1 87 87 ILE HG23 H 1 0.633 0.006 . 1 . 737 . . 87 ILE HG23 . 17166 1 1071 . 1 1 87 87 ILE C C 13 175.736 0.004 . 1 . 804 . . 87 ILE C . 17166 1 1072 . 1 1 87 87 ILE CA C 13 60.375 0.068 . 1 . 191 . . 87 ILE CA . 17166 1 1073 . 1 1 87 87 ILE CB C 13 39.740 0.06 . 1 . 190 . . 87 ILE CB . 17166 1 1074 . 1 1 87 87 ILE CD1 C 13 13.423 0.185 . 1 . 693 . . 87 ILE CD1 . 17166 1 1075 . 1 1 87 87 ILE CG1 C 13 28.408 0.131 . 1 . 400 . . 87 ILE CG1 . 17166 1 1076 . 1 1 87 87 ILE CG2 C 13 18.004 0.188 . 1 . 401 . . 87 ILE CG2 . 17166 1 1077 . 1 1 87 87 ILE N N 15 124.276 0.038 . 1 . 54 . . 87 ILE N . 17166 1 1078 . 1 1 88 88 VAL H H 1 9.042 0.009 . 1 . 5 . . 88 VAL H . 17166 1 1079 . 1 1 88 88 VAL HA H 1 4.343 0.008 . 1 . 512 . . 88 VAL HA . 17166 1 1080 . 1 1 88 88 VAL HB H 1 1.850 0.009 . 1 . 513 . . 88 VAL HB . 17166 1 1081 . 1 1 88 88 VAL HG11 H 1 0.949 0.014 . 1 . 514 . . 88 VAL HG11 . 17166 1 1082 . 1 1 88 88 VAL HG12 H 1 0.949 0.014 . 1 . 514 . . 88 VAL HG12 . 17166 1 1083 . 1 1 88 88 VAL HG13 H 1 0.949 0.014 . 1 . 514 . . 88 VAL HG13 . 17166 1 1084 . 1 1 88 88 VAL HG21 H 1 1.037 0.01 . 1 . 515 . . 88 VAL HG21 . 17166 1 1085 . 1 1 88 88 VAL HG22 H 1 1.037 0.01 . 1 . 515 . . 88 VAL HG22 . 17166 1 1086 . 1 1 88 88 VAL HG23 H 1 1.037 0.01 . 1 . 515 . . 88 VAL HG23 . 17166 1 1087 . 1 1 88 88 VAL C C 13 174.961 0.01 . 1 . 803 . . 88 VAL C . 17166 1 1088 . 1 1 88 88 VAL CA C 13 61.512 0.053 . 1 . 188 . . 88 VAL CA . 17166 1 1089 . 1 1 88 88 VAL CB C 13 34.576 0.147 . 1 . 189 . . 88 VAL CB . 17166 1 1090 . 1 1 88 88 VAL CG1 C 13 22.121 0.176 . 1 . 591 . . 88 VAL CG1 . 17166 1 1091 . 1 1 88 88 VAL CG2 C 13 21.662 0.056 . 1 . 592 . . 88 VAL CG2 . 17166 1 1092 . 1 1 88 88 VAL N N 15 129.414 0.046 . 1 . 6 . . 88 VAL N . 17166 1 1093 . 1 1 89 89 LYS H H 1 8.879 0.008 . 1 . 19 . . 89 LYS H . 17166 1 1094 . 1 1 89 89 LYS HA H 1 4.478 0.014 . 1 . 541 . . 89 LYS HA . 17166 1 1095 . 1 1 89 89 LYS HB2 H 1 1.842 0.012 . 1 . 1169 . . 89 LYS HB2 . 17166 1 1096 . 1 1 89 89 LYS HB3 H 1 1.789 0.022 . 1 . 965 . . 89 LYS HB3 . 17166 1 1097 . 1 1 89 89 LYS HD2 H 1 1.696 0.011 . 1 . 704 . . 89 LYS HD2 . 17166 1 1098 . 1 1 89 89 LYS HD3 H 1 1.697 0.01 . 1 . 705 . . 89 LYS HD3 . 17166 1 1099 . 1 1 89 89 LYS HE2 H 1 2.961 0.012 . 1 . 542 . . 89 LYS HE2 . 17166 1 1100 . 1 1 89 89 LYS HE3 H 1 2.962 0.011 . 1 . 543 . . 89 LYS HE3 . 17166 1 1101 . 1 1 89 89 LYS HG2 H 1 1.531 0.014 . 1 . 1167 . . 89 LYS HG2 . 17166 1 1102 . 1 1 89 89 LYS HG3 H 1 1.418 0.012 . 1 . 966 . . 89 LYS HG3 . 17166 1 1103 . 1 1 89 89 LYS C C 13 176.221 0.030 . 1 . 806 . . 89 LYS C . 17166 1 1104 . 1 1 89 89 LYS CA C 13 56.424 0.051 . 1 . 187 . . 89 LYS CA . 17166 1 1105 . 1 1 89 89 LYS CB C 13 33.825 0.075 . 1 . 430 . . 89 LYS CB . 17166 1 1106 . 1 1 89 89 LYS CD C 13 29.320 0.069 . 1 . 429 . . 89 LYS CD . 17166 1 1107 . 1 1 89 89 LYS CE C 13 41.977 0.125 . 1 . 428 . . 89 LYS CE . 17166 1 1108 . 1 1 89 89 LYS CG C 13 25.596 0.182 . 1 . 1168 . . 89 LYS CG . 17166 1 1109 . 1 1 89 89 LYS N N 15 127.660 0.055 . 1 . 20 . . 89 LYS N . 17166 1 1110 . 1 1 90 90 TRP H H 1 8.790 0.013 . 1 . 75 . . 90 TRP H . 17166 1 1111 . 1 1 90 90 TRP HA H 1 4.632 0.01 . 1 . 708 . . 90 TRP HA . 17166 1 1112 . 1 1 90 90 TRP HB2 H 1 3.525 0.017 . 1 . 498 . . 90 TRP HB2 . 17166 1 1113 . 1 1 90 90 TRP HB3 H 1 2.609 0.019 . 1 . 499 . . 90 TRP HB3 . 17166 1 1114 . 1 1 90 90 TRP HD1 H 1 7.184 0.012 . 1 . 771 . . 90 TRP HD1 . 17166 1 1115 . 1 1 90 90 TRP HE1 H 1 10.664 0.009 . 1 . 1101 . . 90 TRP HE1 . 17166 1 1116 . 1 1 90 90 TRP HE3 H 1 8.001 0.011 . 1 . 1108 . . 90 TRP HE3 . 17166 1 1117 . 1 1 90 90 TRP HH2 H 1 6.963 0.011 . 1 . 1104 . . 90 TRP HH2 . 17166 1 1118 . 1 1 90 90 TRP HZ2 H 1 7.646 0.01 . 1 . 1103 . . 90 TRP HZ2 . 17166 1 1119 . 1 1 90 90 TRP HZ3 H 1 7.542 0.011 . 1 . 1106 . . 90 TRP HZ3 . 17166 1 1120 . 1 1 90 90 TRP C C 13 174.468 0.030 . 1 . 805 . . 90 TRP C . 17166 1 1121 . 1 1 90 90 TRP CA C 13 56.833 0.133 . 1 . 237 . . 90 TRP CA . 17166 1 1122 . 1 1 90 90 TRP CB C 13 28.504 0.051 . 1 . 238 . . 90 TRP CB . 17166 1 1123 . 1 1 90 90 TRP CD1 C 13 125.198 0.137 . 1 . 772 . . 90 TRP CD1 . 17166 1 1124 . 1 1 90 90 TRP CE3 C 13 121.044 0.12 . 1 . 1109 . . 90 TRP CE3 . 17166 1 1125 . 1 1 90 90 TRP CH2 C 13 123.260 0.101 . 1 . 1107 . . 90 TRP CH2 . 17166 1 1126 . 1 1 90 90 TRP CZ2 C 13 113.131 0.097 . 1 . 1102 . . 90 TRP CZ2 . 17166 1 1127 . 1 1 90 90 TRP CZ3 C 13 121.620 0.148 . 1 . 1105 . . 90 TRP CZ3 . 17166 1 1128 . 1 1 90 90 TRP N N 15 122.629 0.026 . 1 . 76 . . 90 TRP N . 17166 1 1129 . 1 1 90 90 TRP NE1 N 15 129.872 0.006 . 1 . 1093 . . 90 TRP NE1 . 17166 1 1130 . 1 1 91 91 ASP H H 1 8.687 0.01 . 1 . 1 . . 91 ASP H . 17166 1 1131 . 1 1 91 91 ASP HA H 1 4.519 0.016 . 1 . 487 . . 91 ASP HA . 17166 1 1132 . 1 1 91 91 ASP HB2 H 1 2.799 0.009 . 1 . 665 . . 91 ASP HB2 . 17166 1 1133 . 1 1 91 91 ASP HB3 H 1 2.457 0.015 . 1 . 666 . . 91 ASP HB3 . 17166 1 1134 . 1 1 91 91 ASP C C 13 175.238 0.025 . 1 . 849 . . 91 ASP C . 17166 1 1135 . 1 1 91 91 ASP CA C 13 52.866 0.118 . 1 . 239 . . 91 ASP CA . 17166 1 1136 . 1 1 91 91 ASP CB C 13 41.679 0.066 . 1 . 240 . . 91 ASP CB . 17166 1 1137 . 1 1 91 91 ASP N N 15 131.855 0.032 . 1 . 2 . . 91 ASP N . 17166 1 1138 . 1 1 92 92 ARG H H 1 7.663 0.01 . 1 . 83 . . 92 ARG H . 17166 1 1139 . 1 1 92 92 ARG HA H 1 3.486 0.011 . 1 . 462 . . 92 ARG HA . 17166 1 1140 . 1 1 92 92 ARG HB2 H 1 1.400 0.011 . 1 . 843 . . 92 ARG HB2 . 17166 1 1141 . 1 1 92 92 ARG HB3 H 1 1.052 0.009 . 1 . 844 . . 92 ARG HB3 . 17166 1 1142 . 1 1 92 92 ARG HD2 H 1 2.962 0.005 . 1 . 847 . . 92 ARG HD2 . 17166 1 1143 . 1 1 92 92 ARG HD3 H 1 2.887 0.011 . 1 . 848 . . 92 ARG HD3 . 17166 1 1144 . 1 1 92 92 ARG HG2 H 1 1.163 0.011 . 1 . 845 . . 92 ARG HG2 . 17166 1 1145 . 1 1 92 92 ARG HG3 H 1 0.907 0.008 . 1 . 846 . . 92 ARG HG3 . 17166 1 1146 . 1 1 92 92 ARG C C 13 175.759 0.028 . 1 . 850 . . 92 ARG C . 17166 1 1147 . 1 1 92 92 ARG CA C 13 56.711 0.061 . 1 . 241 . . 92 ARG CA . 17166 1 1148 . 1 1 92 92 ARG CB C 13 30.078 0.068 . 1 . 242 . . 92 ARG CB . 17166 1 1149 . 1 1 92 92 ARG CD C 13 43.641 0.068 . 1 . 389 . . 92 ARG CD . 17166 1 1150 . 1 1 92 92 ARG CG C 13 25.113 0.093 . 1 . 390 . . 92 ARG CG . 17166 1 1151 . 1 1 92 92 ARG N N 15 121.885 0.03 . 1 . 84 . . 92 ARG N . 17166 1 1152 . 1 1 93 93 ASP H H 1 8.299 0.012 . 1 . 97 . . 93 ASP H . 17166 1 1153 . 1 1 93 93 ASP HA H 1 4.677 0.015 . 1 . 494 . . 93 ASP HA . 17166 1 1154 . 1 1 93 93 ASP HB2 H 1 2.589 0.009 . 1 . 611 . . 93 ASP HB2 . 17166 1 1155 . 1 1 93 93 ASP HB3 H 1 2.791 0.011 . 1 . 612 . . 93 ASP HB3 . 17166 1 1156 . 1 1 93 93 ASP C C 13 175.298 0.003 . 1 . 866 . . 93 ASP C . 17166 1 1157 . 1 1 93 93 ASP CA C 13 54.694 0.071 . 1 . 243 . . 93 ASP CA . 17166 1 1158 . 1 1 93 93 ASP CB C 13 41.171 0.073 . 1 . 244 . . 93 ASP CB . 17166 1 1159 . 1 1 93 93 ASP N N 15 120.370 0.025 . 1 . 98 . . 93 ASP N . 17166 1 1160 . 1 1 94 94 MET H H 1 7.617 0.013 . 1 . 41 . . 94 MET H . 17166 1 1161 . 1 1 94 94 MET HA H 1 4.269 0.005 . 1 . 635 . . 94 MET HA . 17166 1 1162 . 1 1 94 94 MET HB2 H 1 2.156 0.009 . 1 . 951 . . 94 MET HB2 . 17166 1 1163 . 1 1 94 94 MET HB3 H 1 2.030 0.004 . 1 . 952 . . 94 MET HB3 . 17166 1 1164 . 1 1 94 94 MET HG2 H 1 2.585 0.005 . 1 . 637 . . 94 MET HG2 . 17166 1 1165 . 1 1 94 94 MET HG3 H 1 2.523 0.007 . 1 . 638 . . 94 MET HG3 . 17166 1 1166 . 1 1 94 94 MET C C 13 180.885 0.030 . 1 . 992 . . 94 MET C . 17166 1 1167 . 1 1 94 94 MET CA C 13 57.363 0.098 . 1 . 245 . . 94 MET CA . 17166 1 1168 . 1 1 94 94 MET CB C 13 34.091 0.064 . 1 . 246 . . 94 MET CB . 17166 1 1169 . 1 1 94 94 MET CG C 13 32.390 0.049 . 1 . 636 . . 94 MET CG . 17166 1 1170 . 1 1 94 94 MET N N 15 125.332 0.028 . 1 . 42 . . 94 MET N . 17166 1 stop_ save_