################################### # 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_chemical_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assigned_chemical_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6173 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Sample_condition_list_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; It was possible to see (often in different, but well registered, spectra) different chemical shifts for the same atom. While the difference is slight, it is significant in the sense that we would not see, e.g., TRP 45 HE1 at 11.467 but only around 11.479 and more often around 11.453. 7 VAL HG H 0.522 . 1 45 TRP CB C 31.328 . 1 45 TRP HE1 H 11.479 . 1 51 LYS QB H 1.638 . 1 27 LEU HD H 1.011 . 1 39 ILE ? ? 1.097 . 1 ; _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 $sample_PfR48.NC.RX.7.85 isotropic 6173 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG HA H 1 5.159 . . 1 . . . . 2 ARG HA . 6173 1 2 . 1 1 2 2 ARG HB2 H 1 1.722 . . 1 . . . . 2 ARG HB2 . 6173 1 3 . 1 1 2 2 ARG HB3 H 1 1.722 . . 1 . . . . 2 ARG HB3 . 6173 1 4 . 1 1 2 2 ARG HG2 H 1 1.519 . . 1 . . . . 2 ARG HG2 . 6173 1 5 . 1 1 2 2 ARG HG3 H 1 1.519 . . 1 . . . . 2 ARG HG3 . 6173 1 6 . 1 1 2 2 ARG HD2 H 1 3.103 . . 1 . . . . 2 ARG HD2 . 6173 1 7 . 1 1 2 2 ARG HD3 H 1 3.103 . . 1 . . . . 2 ARG HD3 . 6173 1 8 . 1 1 2 2 ARG C C 13 175.500 . . 1 . . . . 2 ARG C . 6173 1 9 . 1 1 2 2 ARG CA C 13 55.183 . . 1 . . . . 2 ARG CA . 6173 1 10 . 1 1 2 2 ARG CB C 13 32.737 . . 1 . . . . 2 ARG CB . 6173 1 11 . 1 1 2 2 ARG CG C 13 27.483 . . 1 . . . . 2 ARG CG . 6173 1 12 . 1 1 2 2 ARG CD C 13 43.459 . . 1 . . . . 2 ARG CD . 6173 1 13 . 1 1 3 3 ILE H H 1 8.800 . . 1 . . . . 3 ILE H . 6173 1 14 . 1 1 3 3 ILE HA H 1 4.674 . . 1 . . . . 3 ILE HA . 6173 1 15 . 1 1 3 3 ILE HB H 1 2.019 . . 1 . . . . 3 ILE HB . 6173 1 16 . 1 1 3 3 ILE HG12 H 1 1.442 . . 2 . . . . 3 ILE HG12 . 6173 1 17 . 1 1 3 3 ILE HG13 H 1 1.081 . . 2 . . . . 3 ILE HG13 . 6173 1 18 . 1 1 3 3 ILE HG21 H 1 0.968 . . 1 . . . . 3 ILE HG2 . 6173 1 19 . 1 1 3 3 ILE HG22 H 1 0.968 . . 1 . . . . 3 ILE HG2 . 6173 1 20 . 1 1 3 3 ILE HG23 H 1 0.968 . . 1 . . . . 3 ILE HG2 . 6173 1 21 . 1 1 3 3 ILE HD11 H 1 0.863 . . 1 . . . . 3 ILE HD1 . 6173 1 22 . 1 1 3 3 ILE HD12 H 1 0.863 . . 1 . . . . 3 ILE HD1 . 6173 1 23 . 1 1 3 3 ILE HD13 H 1 0.863 . . 1 . . . . 3 ILE HD1 . 6173 1 24 . 1 1 3 3 ILE C C 13 175.000 . . 1 . . . . 3 ILE C . 6173 1 25 . 1 1 3 3 ILE CA C 13 60.050 . . 1 . . . . 3 ILE CA . 6173 1 26 . 1 1 3 3 ILE CB C 13 41.249 . . 1 . . . . 3 ILE CB . 6173 1 27 . 1 1 3 3 ILE CG1 C 13 27.060 . . 1 . . . . 3 ILE CG1 . 6173 1 28 . 1 1 3 3 ILE CG2 C 13 17.693 . . 1 . . . . 3 ILE CG2 . 6173 1 29 . 1 1 3 3 ILE CD1 C 13 13.864 . . 1 . . . . 3 ILE CD1 . 6173 1 30 . 1 1 3 3 ILE N N 15 119.700 . . 1 . . . . 3 ILE N . 6173 1 31 . 1 1 4 4 LYS H H 1 8.864 . . 1 . . . . 4 LYS H . 6173 1 32 . 1 1 4 4 LYS HA H 1 5.180 . . 1 . . . . 4 LYS HA . 6173 1 33 . 1 1 4 4 LYS HB2 H 1 1.854 . . 2 . . . . 4 LYS HB2 . 6173 1 34 . 1 1 4 4 LYS HB3 H 1 1.838 . . 2 . . . . 4 LYS HB3 . 6173 1 35 . 1 1 4 4 LYS HG2 H 1 1.598 . . 2 . . . . 4 LYS HG2 . 6173 1 36 . 1 1 4 4 LYS HG3 H 1 1.481 . . 2 . . . . 4 LYS HG3 . 6173 1 37 . 1 1 4 4 LYS HD2 H 1 1.482 . . 1 . . . . 4 LYS HD2 . 6173 1 38 . 1 1 4 4 LYS HD3 H 1 1.482 . . 1 . . . . 4 LYS HD3 . 6173 1 39 . 1 1 4 4 LYS HE2 H 1 2.709 . . 1 . . . . 4 LYS HE2 . 6173 1 40 . 1 1 4 4 LYS HE3 H 1 2.709 . . 1 . . . . 4 LYS HE3 . 6173 1 41 . 1 1 4 4 LYS C C 13 176.800 . . 1 . . . . 4 LYS C . 6173 1 42 . 1 1 4 4 LYS CA C 13 55.798 . . 1 . . . . 4 LYS CA . 6173 1 43 . 1 1 4 4 LYS CB C 13 35.471 . . 1 . . . . 4 LYS CB . 6173 1 44 . 1 1 4 4 LYS CG C 13 25.553 . . 1 . . . . 4 LYS CG . 6173 1 45 . 1 1 4 4 LYS CD C 13 29.320 . . 1 . . . . 4 LYS CD . 6173 1 46 . 1 1 4 4 LYS CE C 13 41.812 . . 1 . . . . 4 LYS CE . 6173 1 47 . 1 1 4 4 LYS N N 15 123.785 . . 1 . . . . 4 LYS N . 6173 1 48 . 1 1 5 5 GLY H H 1 8.662 . . 1 . . . . 5 GLY H . 6173 1 49 . 1 1 5 5 GLY HA2 H 1 3.122 . . 2 . . . . 5 GLY HA2 . 6173 1 50 . 1 1 5 5 GLY HA3 H 1 5.139 . . 2 . . . . 5 GLY HA3 . 6173 1 51 . 1 1 5 5 GLY C C 13 170.800 . . 1 . . . . 5 GLY C . 6173 1 52 . 1 1 5 5 GLY CA C 13 44.967 . . 1 . . . . 5 GLY CA . 6173 1 53 . 1 1 5 5 GLY N N 15 107.023 . . 1 . . . . 5 GLY N . 6173 1 54 . 1 1 6 6 VAL H H 1 8.168 . . 1 . . . . 6 VAL H . 6173 1 55 . 1 1 6 6 VAL HA H 1 4.936 . . 1 . . . . 6 VAL HA . 6173 1 56 . 1 1 6 6 VAL HB H 1 1.772 . . 1 . . . . 6 VAL HB . 6173 1 57 . 1 1 6 6 VAL HG11 H 1 0.788 . . 2 . . . . 6 VAL HG1 . 6173 1 58 . 1 1 6 6 VAL HG12 H 1 0.788 . . 2 . . . . 6 VAL HG1 . 6173 1 59 . 1 1 6 6 VAL HG13 H 1 0.788 . . 2 . . . . 6 VAL HG1 . 6173 1 60 . 1 1 6 6 VAL HG21 H 1 0.788 . . 2 . . . . 6 VAL HG2 . 6173 1 61 . 1 1 6 6 VAL HG22 H 1 0.788 . . 2 . . . . 6 VAL HG2 . 6173 1 62 . 1 1 6 6 VAL HG23 H 1 0.788 . . 2 . . . . 6 VAL HG2 . 6173 1 63 . 1 1 6 6 VAL C C 13 175.100 . . 1 . . . . 6 VAL C . 6173 1 64 . 1 1 6 6 VAL CA C 13 60.066 . . 1 . . . . 6 VAL CA . 6173 1 65 . 1 1 6 6 VAL CB C 13 35.501 . . 1 . . . . 6 VAL CB . 6173 1 66 . 1 1 6 6 VAL CG1 C 13 21.471 . . 1 . . . . 6 VAL CG1 . 6173 1 67 . 1 1 6 6 VAL CG2 C 13 21.471 . . 1 . . . . 6 VAL CG2 . 6173 1 68 . 1 1 6 6 VAL N N 15 118.930 . . 1 . . . . 6 VAL N . 6173 1 69 . 1 1 7 7 VAL H H 1 8.663 . . 1 . . . . 7 VAL H . 6173 1 70 . 1 1 7 7 VAL HA H 1 3.771 . . 1 . . . . 7 VAL HA . 6173 1 71 . 1 1 7 7 VAL HB H 1 2.288 . . 1 . . . . 7 VAL HB . 6173 1 72 . 1 1 7 7 VAL HG11 H 1 0.523 . . 1 . . . . 7 VAL HG1 . 6173 1 73 . 1 1 7 7 VAL HG12 H 1 0.523 . . 1 . . . . 7 VAL HG1 . 6173 1 74 . 1 1 7 7 VAL HG13 H 1 0.523 . . 1 . . . . 7 VAL HG1 . 6173 1 75 . 1 1 7 7 VAL HG21 H 1 0.715 . . 1 . . . . 7 VAL HG2 . 6173 1 76 . 1 1 7 7 VAL HG22 H 1 0.715 . . 1 . . . . 7 VAL HG2 . 6173 1 77 . 1 1 7 7 VAL HG23 H 1 0.715 . . 1 . . . . 7 VAL HG2 . 6173 1 78 . 1 1 7 7 VAL C C 13 176.02 . . 1 . . . . 7 VAL C . 6173 1 79 . 1 1 7 7 VAL CA C 13 63.861 . . 1 . . . . 7 VAL CA . 6173 1 80 . 1 1 7 7 VAL CB C 13 31.549 . . 1 . . . . 7 VAL CB . 6173 1 81 . 1 1 7 7 VAL CG1 C 13 22.263 . . 1 . . . . 7 VAL CG1 . 6173 1 82 . 1 1 7 7 VAL CG2 C 13 22.093 . . 1 . . . . 7 VAL CG2 . 6173 1 83 . 1 1 7 7 VAL N N 15 126.733 . . 1 . . . . 7 VAL N . 6173 1 84 . 1 1 8 8 LEU H H 1 9.077 . . 1 . . . . 8 LEU H . 6173 1 85 . 1 1 8 8 LEU HA H 1 4.396 . . 1 . . . . 8 LEU HA . 6173 1 86 . 1 1 8 8 LEU HB2 H 1 1.477 . . 1 . . . . 8 LEU HB2 . 6173 1 87 . 1 1 8 8 LEU HB3 H 1 1.477 . . 1 . . . . 8 LEU HB3 . 6173 1 88 . 1 1 8 8 LEU HG H 1 1.619 . . 1 . . . . 8 LEU HG . 6173 1 89 . 1 1 8 8 LEU HD11 H 1 0.766 . . 2 . . . . 8 LEU HD1 . 6173 1 90 . 1 1 8 8 LEU HD12 H 1 0.766 . . 2 . . . . 8 LEU HD1 . 6173 1 91 . 1 1 8 8 LEU HD13 H 1 0.766 . . 2 . . . . 8 LEU HD1 . 6173 1 92 . 1 1 8 8 LEU HD21 H 1 0.823 . . 2 . . . . 8 LEU HD2 . 6173 1 93 . 1 1 8 8 LEU HD22 H 1 0.823 . . 2 . . . . 8 LEU HD2 . 6173 1 94 . 1 1 8 8 LEU HD23 H 1 0.823 . . 2 . . . . 8 LEU HD2 . 6173 1 95 . 1 1 8 8 LEU C C 13 177.000 . . 1 . . . . 8 LEU C . 6173 1 96 . 1 1 8 8 LEU CA C 13 55.871 . . 1 . . . . 8 LEU CA . 6173 1 97 . 1 1 8 8 LEU CB C 13 43.337 . . 1 . . . . 8 LEU CB . 6173 1 98 . 1 1 8 8 LEU CG C 13 26.576 . . 1 . . . . 8 LEU CG . 6173 1 99 . 1 1 8 8 LEU CD1 C 13 22.402 . . 2 . . . . 8 LEU CD1 . 6173 1 100 . 1 1 8 8 LEU CD2 C 13 25.827 . . 2 . . . . 8 LEU CD2 . 6173 1 101 . 1 1 8 8 LEU N N 15 128.947 . . 1 . . . . 8 LEU N . 6173 1 102 . 1 1 9 9 SER H H 1 7.409 . . 1 . . . . 9 SER H . 6173 1 103 . 1 1 9 9 SER HA H 1 4.347 . . 1 . . . . 9 SER HA . 6173 1 104 . 1 1 9 9 SER HB2 H 1 3.813 . . 2 . . . . 9 SER HB2 . 6173 1 105 . 1 1 9 9 SER HB3 H 1 3.688 . . 2 . . . . 9 SER HB3 . 6173 1 106 . 1 1 9 9 SER C C 13 172.900 . . 1 . . . . 9 SER C . 6173 1 107 . 1 1 9 9 SER CA C 13 57.866 . . 1 . . . . 9 SER CA . 6173 1 108 . 1 1 9 9 SER CB C 13 64.173 . . 1 . . . . 9 SER CB . 6173 1 109 . 1 1 9 9 SER N N 15 108.469 . . 1 . . . . 9 SER N . 6173 1 110 . 1 1 10 10 TYR H H 1 8.464 . . 1 . . . . 10 TYR H . 6173 1 111 . 1 1 10 10 TYR HA H 1 5.064 . . 1 . . . . 10 TYR HA . 6173 1 112 . 1 1 10 10 TYR HB2 H 1 2.884 . . 2 . . . . 10 TYR HB2 . 6173 1 113 . 1 1 10 10 TYR HB3 H 1 2.719 . . 2 . . . . 10 TYR HB3 . 6173 1 114 . 1 1 10 10 TYR C C 13 175.400 . . 1 . . . . 10 TYR C . 6173 1 115 . 1 1 10 10 TYR CA C 13 57.258 . . 1 . . . . 10 TYR CA . 6173 1 116 . 1 1 10 10 TYR CB C 13 40.325 . . 1 . . . . 10 TYR CB . 6173 1 117 . 1 1 10 10 TYR N N 15 121.190 . . 1 . . . . 10 TYR N . 6173 1 118 . 1 1 11 11 ARG H H 1 8.545 . . 1 . . . . 11 ARG H . 6173 1 119 . 1 1 11 11 ARG HA H 1 4.441 . . 1 . . . . 11 ARG HA . 6173 1 120 . 1 1 11 11 ARG HB2 H 1 1.805 . . 2 . . . . 11 ARG HB2 . 6173 1 121 . 1 1 11 11 ARG HB3 H 1 1.468 . . 2 . . . . 11 ARG HB3 . 6173 1 122 . 1 1 11 11 ARG HG2 H 1 1.484 . . 2 . . . . 11 ARG HG2 . 6173 1 123 . 1 1 11 11 ARG HG3 H 1 1.501 . . 2 . . . . 11 ARG HG3 . 6173 1 124 . 1 1 11 11 ARG HD2 H 1 3.063 . . 2 . . . . 11 ARG HD2 . 6173 1 125 . 1 1 11 11 ARG HD3 H 1 3.110 . . 2 . . . . 11 ARG HD3 . 6173 1 126 . 1 1 11 11 ARG C C 13 174.800 . . 1 . . . . 11 ARG C . 6173 1 127 . 1 1 11 11 ARG CA C 13 55.308 . . 1 . . . . 11 ARG CA . 6173 1 128 . 1 1 11 11 ARG CB C 13 31.551 . . 1 . . . . 11 ARG CB . 6173 1 129 . 1 1 11 11 ARG CG C 13 27.252 . . 1 . . . . 11 ARG CG . 6173 1 130 . 1 1 11 11 ARG CD C 13 43.536 . . 1 . . . . 11 ARG CD . 6173 1 131 . 1 1 11 11 ARG N N 15 124.044 . . 1 . . . . 11 ARG N . 6173 1 132 . 1 1 12 12 ARG H H 1 8.562 . . 1 . . . . 12 ARG H . 6173 1 133 . 1 1 12 12 ARG HA H 1 4.577 . . 1 . . . . 12 ARG HA . 6173 1 134 . 1 1 12 12 ARG HB2 H 1 1.818 . . 2 . . . . 12 ARG HB2 . 6173 1 135 . 1 1 12 12 ARG HB3 H 1 1.745 . . 2 . . . . 12 ARG HB3 . 6173 1 136 . 1 1 12 12 ARG HG2 H 1 1.597 . . 2 . . . . 12 ARG HG2 . 6173 1 137 . 1 1 12 12 ARG HG3 H 1 1.602 . . 2 . . . . 12 ARG HG3 . 6173 1 138 . 1 1 12 12 ARG HD2 H 1 3.153 . . 2 . . . . 12 ARG HD2 . 6173 1 139 . 1 1 12 12 ARG HD3 H 1 3.151 . . 2 . . . . 12 ARG HD3 . 6173 1 140 . 1 1 12 12 ARG C C 13 176.100 . . 1 . . . . 12 ARG C . 6173 1 141 . 1 1 12 12 ARG CA C 13 55.803 . . 1 . . . . 12 ARG CA . 6173 1 142 . 1 1 12 12 ARG CB C 13 31.265 . . 1 . . . . 12 ARG CB . 6173 1 143 . 1 1 12 12 ARG CG C 13 27.323 . . 1 . . . . 12 ARG CG . 6173 1 144 . 1 1 12 12 ARG CD C 13 43.526 . . 1 . . . . 12 ARG CD . 6173 1 145 . 1 1 12 12 ARG N N 15 124.990 . . 1 . . . . 12 ARG N . 6173 1 146 . 1 1 13 13 SER H H 1 8.485 . . 1 . . . . 13 SER H . 6173 1 147 . 1 1 13 13 SER HA H 1 4.542 . . 1 . . . . 13 SER HA . 6173 1 148 . 1 1 13 13 SER HB2 H 1 4.006 . . 2 . . . . 13 SER HB2 . 6173 1 149 . 1 1 13 13 SER HB3 H 1 3.862 . . 2 . . . . 13 SER HB3 . 6173 1 150 . 1 1 13 13 SER C C 13 175.0 . . 1 . . . . 13 SER C . 6173 1 151 . 1 1 13 13 SER CA C 13 57.790 . . 1 . . . . 13 SER CA . 6173 1 152 . 1 1 13 13 SER CB C 13 64.666 . . 1 . . . . 13 SER CB . 6173 1 153 . 1 1 13 13 SER N N 15 118.058 . . 1 . . . . 13 SER N . 6173 1 154 . 1 1 14 14 LYS H H 1 8.663 . . 1 . . . . 14 LYS H . 6173 1 155 . 1 1 14 14 LYS HA H 1 4.178 . . 1 . . . . 14 LYS HA . 6173 1 156 . 1 1 14 14 LYS HB2 H 1 1.844 . . 1 . . . . 14 LYS HB2 . 6173 1 157 . 1 1 14 14 LYS HB3 H 1 1.844 . . 1 . . . . 14 LYS HB3 . 6173 1 158 . 1 1 14 14 LYS HG2 H 1 1.468 . . 1 . . . . 14 LYS HG2 . 6173 1 159 . 1 1 14 14 LYS HG3 H 1 1.468 . . 1 . . . . 14 LYS HG3 . 6173 1 160 . 1 1 14 14 LYS HD2 H 1 1.698 . . 1 . . . . 14 LYS HD2 . 6173 1 161 . 1 1 14 14 LYS HD3 H 1 1.698 . . 1 . . . . 14 LYS HD3 . 6173 1 162 . 1 1 14 14 LYS HE2 H 1 3.007 . . 1 . . . . 14 LYS HE2 . 6173 1 163 . 1 1 14 14 LYS HE3 H 1 3.007 . . 1 . . . . 14 LYS HE3 . 6173 1 164 . 1 1 14 14 LYS C C 13 177.400 . . 1 . . . . 14 LYS C . 6173 1 165 . 1 1 14 14 LYS CA C 13 57.997 . . 1 . . . . 14 LYS CA . 6173 1 166 . 1 1 14 14 LYS CB C 13 32.686 . . 1 . . . . 14 LYS CB . 6173 1 167 . 1 1 14 14 LYS CG C 13 24.932 . . 1 . . . . 14 LYS CG . 6173 1 168 . 1 1 14 14 LYS CD C 13 29.168 . . 1 . . . . 14 LYS CD . 6173 1 169 . 1 1 14 14 LYS CE C 13 42.235 . . 1 . . . . 14 LYS CE . 6173 1 170 . 1 1 14 14 LYS N N 15 123.187 . . 1 . . . . 14 LYS N . 6173 1 171 . 1 1 15 15 GLU H H 1 8.525 . . 1 . . . . 15 GLU H . 6173 1 172 . 1 1 15 15 GLU HA H 1 4.217 . . 1 . . . . 15 GLU HA . 6173 1 173 . 1 1 15 15 GLU HB2 H 1 2.063 . . 2 . . . . 15 GLU HB2 . 6173 1 174 . 1 1 15 15 GLU HB3 H 1 1.962 . . 2 . . . . 15 GLU HB3 . 6173 1 175 . 1 1 15 15 GLU HG2 H 1 2.274 . . 1 . . . . 15 GLU HG2 . 6173 1 176 . 1 1 15 15 GLU HG3 H 1 2.274 . . 1 . . . . 15 GLU HG3 . 6173 1 177 . 1 1 15 15 GLU C C 13 176.300 . . 1 . . . . 15 GLU C . 6173 1 178 . 1 1 15 15 GLU CA C 13 57.504 . . 1 . . . . 15 GLU CA . 6173 1 179 . 1 1 15 15 GLU CB C 13 29.654 . . 1 . . . . 15 GLU CB . 6173 1 180 . 1 1 15 15 GLU CG C 13 36.494 . . 1 . . . . 15 GLU CG . 6173 1 181 . 1 1 15 15 GLU N N 15 118.364 . . 1 . . . . 15 GLU N . 6173 1 182 . 1 1 16 16 ASN H H 1 7.985 . . 1 . . . . 16 ASN H . 6173 1 183 . 1 1 16 16 ASN HA H 1 4.690 . . 1 . . . . 16 ASN HA . 6173 1 184 . 1 1 16 16 ASN HB2 H 1 2.897 . . 2 . . . . 16 ASN HB2 . 6173 1 185 . 1 1 16 16 ASN HB3 H 1 2.737 . . 2 . . . . 16 ASN HB3 . 6173 1 186 . 1 1 16 16 ASN HD21 H 1 7.629 . . 1 . . . . 16 ASN HD21 . 6173 1 187 . 1 1 16 16 ASN HD22 H 1 6.996 . . 1 . . . . 16 ASN HD22 . 6173 1 188 . 1 1 16 16 ASN C C 13 175.100 . . 1 . . . . 16 ASN C . 6173 1 189 . 1 1 16 16 ASN CA C 13 53.363 . . 1 . . . . 16 ASN CA . 6173 1 190 . 1 1 16 16 ASN CB C 13 39.022 . . 1 . . . . 16 ASN CB . 6173 1 191 . 1 1 16 16 ASN N N 15 117.467 . . 1 . . . . 16 ASN N . 6173 1 192 . 1 1 16 16 ASN ND2 N 15 113 . . 1 . . . . 16 ASN ND2 . 6173 1 193 . 1 1 17 17 GLN H H 1 8.384 . . 1 . . . . 17 GLN H . 6173 1 194 . 1 1 17 17 GLN HA H 1 4.256 . . 1 . . . . 17 GLN HA . 6173 1 195 . 1 1 17 17 GLN HB2 H 1 2.189 . . 2 . . . . 17 GLN HB2 . 6173 1 196 . 1 1 17 17 GLN HB3 H 1 1.854 . . 2 . . . . 17 GLN HB3 . 6173 1 197 . 1 1 17 17 GLN HG2 H 1 2.193 . . 2 . . . . 17 GLN HG2 . 6173 1 198 . 1 1 17 17 GLN HG3 H 1 2.011 . . 2 . . . . 17 GLN HG3 . 6173 1 199 . 1 1 17 17 GLN HE21 H 1 7.483 . . 1 . . . . 17 GLN HE21 . 6173 1 200 . 1 1 17 17 GLN HE22 H 1 6.861 . . 1 . . . . 17 GLN HE22 . 6173 1 201 . 1 1 17 17 GLN C C 13 175.800 . . 1 . . . . 17 GLN C . 6173 1 202 . 1 1 17 17 GLN CA C 13 56.678 . . 1 . . . . 17 GLN CA . 6173 1 203 . 1 1 17 17 GLN CB C 13 29.071 . . 1 . . . . 17 GLN CB . 6173 1 204 . 1 1 17 17 GLN CG C 13 33.739 . . 1 . . . . 17 GLN CG . 6173 1 205 . 1 1 17 17 GLN N N 15 119.788 . . 1 . . . . 17 GLN N . 6173 1 206 . 1 1 17 17 GLN NE2 N 15 112.7 . . 1 . . . . 17 GLN NE2 . 6173 1 207 . 1 1 18 18 HIS H H 1 8.209 . . 1 . . . . 18 HIS H . 6173 1 208 . 1 1 18 18 HIS HA H 1 4.683 . . 1 . . . . 18 HIS HA . 6173 1 209 . 1 1 18 18 HIS HB2 H 1 3.199 . . 2 . . . . 18 HIS HB2 . 6173 1 210 . 1 1 18 18 HIS HB3 H 1 3.065 . . 2 . . . . 18 HIS HB3 . 6173 1 211 . 1 1 18 18 HIS C C 13 175.08 . . 1 . . . . 18 HIS C . 6173 1 212 . 1 1 18 18 HIS CA C 13 55.839 . . 1 . . . . 18 HIS CA . 6173 1 213 . 1 1 18 18 HIS CB C 13 30.460 . . 1 . . . . 18 HIS CB . 6173 1 214 . 1 1 18 18 HIS N N 15 117.984 . . 1 . . . . 18 HIS N . 6173 1 215 . 1 1 19 19 ASN H H 1 8.43 . . 1 . . . . 19 ASN H . 6173 1 216 . 1 1 19 19 ASN HA H 1 4.813 . . 1 . . . . 19 ASN HA . 6173 1 217 . 1 1 19 19 ASN HB2 H 1 2.731 . . 2 . . . . 19 ASN HB2 . 6173 1 218 . 1 1 19 19 ASN HB3 H 1 2.765 . . 2 . . . . 19 ASN HB3 . 6173 1 219 . 1 1 19 19 ASN HD21 H 1 6.758 . . 2 . . . . 19 ASN HD21 . 6173 1 220 . 1 1 19 19 ASN HD22 H 1 7.406 . . 2 . . . . 19 ASN HD22 . 6173 1 221 . 1 1 19 19 ASN C C 13 174.300 . . 1 . . . . 19 ASN C . 6173 1 222 . 1 1 19 19 ASN CA C 13 53.172 . . 1 . . . . 19 ASN CA . 6173 1 223 . 1 1 19 19 ASN CB C 13 38.503 . . 1 . . . . 19 ASN CB . 6173 1 224 . 1 1 19 19 ASN N N 15 122.3 . . 1 . . . . 19 ASN N . 6173 1 225 . 1 1 19 19 ASN ND2 N 15 111.8 . . 1 . . . . 19 ASN ND2 . 6173 1 226 . 1 1 20 20 ASN H H 1 8.353 . . 1 . . . . 20 ASN H . 6173 1 227 . 1 1 20 20 ASN HA H 1 4.828 . . 1 . . . . 20 ASN HA . 6173 1 228 . 1 1 20 20 ASN HB2 H 1 3.140 . . 2 . . . . 20 ASN HB2 . 6173 1 229 . 1 1 20 20 ASN HB3 H 1 2.532 . . 2 . . . . 20 ASN HB3 . 6173 1 230 . 1 1 20 20 ASN HD21 H 1 6.898 . . 2 . . . . 20 ASN HD21 . 6173 1 231 . 1 1 20 20 ASN HD22 H 1 7.258 . . 2 . . . . 20 ASN HD22 . 6173 1 232 . 1 1 20 20 ASN C C 13 174.000 . . 1 . . . . 20 ASN C . 6173 1 233 . 1 1 20 20 ASN CA C 13 53.292 . . 1 . . . . 20 ASN CA . 6173 1 234 . 1 1 20 20 ASN CB C 13 38.896 . . 1 . . . . 20 ASN CB . 6173 1 235 . 1 1 20 20 ASN N N 15 117.387 . . 1 . . . . 20 ASN N . 6173 1 236 . 1 1 20 20 ASN ND2 N 15 111.6 . . 1 . . . . 20 ASN ND2 . 6173 1 237 . 1 1 21 21 VAL H H 1 8.285 . . 1 . . . . 21 VAL H . 6173 1 238 . 1 1 21 21 VAL HA H 1 5.090 . . 1 . . . . 21 VAL HA . 6173 1 239 . 1 1 21 21 VAL HB H 1 1.961 . . 1 . . . . 21 VAL HB . 6173 1 240 . 1 1 21 21 VAL HG11 H 1 0.919 . . 2 . . . . 21 VAL HG1 . 6173 1 241 . 1 1 21 21 VAL HG12 H 1 0.919 . . 2 . . . . 21 VAL HG1 . 6173 1 242 . 1 1 21 21 VAL HG13 H 1 0.919 . . 2 . . . . 21 VAL HG1 . 6173 1 243 . 1 1 21 21 VAL HG21 H 1 0.781 . . 2 . . . . 21 VAL HG2 . 6173 1 244 . 1 1 21 21 VAL HG22 H 1 0.781 . . 2 . . . . 21 VAL HG2 . 6173 1 245 . 1 1 21 21 VAL HG23 H 1 0.781 . . 2 . . . . 21 VAL HG2 . 6173 1 246 . 1 1 21 21 VAL C C 13 174.900 . . 1 . . . . 21 VAL C . 6173 1 247 . 1 1 21 21 VAL CA C 13 61.409 . . 1 . . . . 21 VAL CA . 6173 1 248 . 1 1 21 21 VAL CB C 13 33.979 . . 1 . . . . 21 VAL CB . 6173 1 249 . 1 1 21 21 VAL CG1 C 13 21.548 . . 2 . . . . 21 VAL CG1 . 6173 1 250 . 1 1 21 21 VAL CG2 C 13 21.832 . . 2 . . . . 21 VAL CG2 . 6173 1 251 . 1 1 21 21 VAL N N 15 120.718 . . 1 . . . . 21 VAL N . 6173 1 252 . 1 1 22 22 MET H H 1 9.083 . . 1 . . . . 22 MET H . 6173 1 253 . 1 1 22 22 MET HA H 1 5.073 . . 1 . . . . 22 MET HA . 6173 1 254 . 1 1 22 22 MET HB2 H 1 1.859 . . 2 . . . . 22 MET HB2 . 6173 1 255 . 1 1 22 22 MET HB3 H 1 1.744 . . 2 . . . . 22 MET HB3 . 6173 1 256 . 1 1 22 22 MET HG2 H 1 2.088 . . 2 . . . . 22 MET HG2 . 6173 1 257 . 1 1 22 22 MET HG3 H 1 2.200 . . 2 . . . . 22 MET HG3 . 6173 1 258 . 1 1 22 22 MET C C 13 174.600 . . 1 . . . . 22 MET C . 6173 1 259 . 1 1 22 22 MET CA C 13 53.096 . . 1 . . . . 22 MET CA . 6173 1 260 . 1 1 22 22 MET CB C 13 36.612 . . 1 . . . . 22 MET CB . 6173 1 261 . 1 1 22 22 MET CG C 13 32.161 . . 1 . . . . 22 MET CG . 6173 1 262 . 1 1 22 22 MET N N 15 123.693 . . 1 . . . . 22 MET N . 6173 1 263 . 1 1 23 23 ILE H H 1 8.761 . . 1 . . . . 23 ILE H . 6173 1 264 . 1 1 23 23 ILE HA H 1 4.738 . . 1 . . . . 23 ILE HA . 6173 1 265 . 1 1 23 23 ILE HB H 1 1.741 . . 1 . . . . 23 ILE HB . 6173 1 266 . 1 1 23 23 ILE HG12 H 1 0.856 . . 2 . . . . 23 ILE HG12 . 6173 1 267 . 1 1 23 23 ILE HG13 H 1 0.747 . . 2 . . . . 23 ILE HG13 . 6173 1 268 . 1 1 23 23 ILE HG21 H 1 0.488 . . 1 . . . . 23 ILE HG2 . 6173 1 269 . 1 1 23 23 ILE HG22 H 1 0.488 . . 1 . . . . 23 ILE HG2 . 6173 1 270 . 1 1 23 23 ILE HG23 H 1 0.488 . . 1 . . . . 23 ILE HG2 . 6173 1 271 . 1 1 23 23 ILE HD11 H 1 0.130 . . 1 . . . . 23 ILE HD1 . 6173 1 272 . 1 1 23 23 ILE HD12 H 1 0.130 . . 1 . . . . 23 ILE HD1 . 6173 1 273 . 1 1 23 23 ILE HD13 H 1 0.130 . . 1 . . . . 23 ILE HD1 . 6173 1 274 . 1 1 23 23 ILE C C 13 175.500 . . 1 . . . . 23 ILE C . 6173 1 275 . 1 1 23 23 ILE CA C 13 59.230 . . 1 . . . . 23 ILE CA . 6173 1 276 . 1 1 23 23 ILE CB C 13 36.022 . . 1 . . . . 23 ILE CB . 6173 1 277 . 1 1 23 23 ILE CG1 C 13 27.352 . . 1 . . . . 23 ILE CG1 . 6173 1 278 . 1 1 23 23 ILE CG2 C 13 18.366 . . 1 . . . . 23 ILE CG2 . 6173 1 279 . 1 1 23 23 ILE CD1 C 13 10.658 . . 1 . . . . 23 ILE CD1 . 6173 1 280 . 1 1 23 23 ILE N N 15 123.898 . . 1 . . . . 23 ILE N . 6173 1 281 . 1 1 24 24 ILE H H 1 9.048 . . 1 . . . . 24 ILE H . 6173 1 282 . 1 1 24 24 ILE HA H 1 4.881 . . 1 . . . . 24 ILE HA . 6173 1 283 . 1 1 24 24 ILE HB H 1 1.426 . . 1 . . . . 24 ILE HB . 6173 1 284 . 1 1 24 24 ILE HG12 H 1 1.321 . . 2 . . . . 24 ILE HG12 . 6173 1 285 . 1 1 24 24 ILE HG13 H 1 0.961 . . 2 . . . . 24 ILE HG13 . 6173 1 286 . 1 1 24 24 ILE HG21 H 1 0.509 . . 1 . . . . 24 ILE HG2 . 6173 1 287 . 1 1 24 24 ILE HG22 H 1 0.509 . . 1 . . . . 24 ILE HG2 . 6173 1 288 . 1 1 24 24 ILE HG23 H 1 0.509 . . 1 . . . . 24 ILE HG2 . 6173 1 289 . 1 1 24 24 ILE HD11 H 1 0.749 . . 1 . . . . 24 ILE HD1 . 6173 1 290 . 1 1 24 24 ILE HD12 H 1 0.749 . . 1 . . . . 24 ILE HD1 . 6173 1 291 . 1 1 24 24 ILE HD13 H 1 0.749 . . 1 . . . . 24 ILE HD1 . 6173 1 292 . 1 1 24 24 ILE C C 13 174.200 . . 1 . . . . 24 ILE C . 6173 1 293 . 1 1 24 24 ILE CA C 13 58.256 . . 1 . . . . 24 ILE CA . 6173 1 294 . 1 1 24 24 ILE CB C 13 42.799 . . 1 . . . . 24 ILE CB . 6173 1 295 . 1 1 24 24 ILE CG1 C 13 28.104 . . 1 . . . . 24 ILE CG1 . 6173 1 296 . 1 1 24 24 ILE CG2 C 13 17.523 . . 1 . . . . 24 ILE CG2 . 6173 1 297 . 1 1 24 24 ILE CD1 C 13 15.857 . . 1 . . . . 24 ILE CD1 . 6173 1 298 . 1 1 24 24 ILE N N 15 126.877 . . 1 . . . . 24 ILE N . 6173 1 299 . 1 1 25 25 LYS H H 1 9.205 . . 1 . . . . 25 LYS H . 6173 1 300 . 1 1 25 25 LYS HA H 1 5.109 . . 1 . . . . 25 LYS HA . 6173 1 301 . 1 1 25 25 LYS HB2 H 1 2.139 . . 2 . . . . 25 LYS HB2 . 6173 1 302 . 1 1 25 25 LYS HB3 H 1 1.675 . . 2 . . . . 25 LYS HB3 . 6173 1 303 . 1 1 25 25 LYS HG2 H 1 1.480 . . 1 . . . . 25 LYS HG2 . 6173 1 304 . 1 1 25 25 LYS HG3 H 1 1.480 . . 1 . . . . 25 LYS HG3 . 6173 1 305 . 1 1 25 25 LYS CA C 13 50.908 . . 1 . . . . 25 LYS CA . 6173 1 306 . 1 1 25 25 LYS CB C 13 34.893 . . 1 . . . . 25 LYS CB . 6173 1 307 . 1 1 25 25 LYS N N 15 127.192 . . 1 . . . . 25 LYS N . 6173 1 308 . 1 1 26 26 PRO HA H 1 4.823 . . 1 . . . . 26 PRO HA . 6173 1 309 . 1 1 26 26 PRO HB2 H 1 2.052 . . 2 . . . . 26 PRO HB2 . 6173 1 310 . 1 1 26 26 PRO HB3 H 1 1.893 . . 2 . . . . 26 PRO HB3 . 6173 1 311 . 1 1 26 26 PRO HG2 H 1 2.014 . . 2 . . . . 26 PRO HG2 . 6173 1 312 . 1 1 26 26 PRO HG3 H 1 1.457 . . 2 . . . . 26 PRO HG3 . 6173 1 313 . 1 1 26 26 PRO HD2 H 1 4.358 . . 2 . . . . 26 PRO HD2 . 6173 1 314 . 1 1 26 26 PRO HD3 H 1 3.921 . . 2 . . . . 26 PRO HD3 . 6173 1 315 . 1 1 26 26 PRO C C 13 177.300 . . 1 . . . . 26 PRO C . 6173 1 316 . 1 1 26 26 PRO CA C 13 61.185 . . 1 . . . . 26 PRO CA . 6173 1 317 . 1 1 26 26 PRO CB C 13 30.625 . . 1 . . . . 26 PRO CB . 6173 1 318 . 1 1 26 26 PRO CG C 13 28.273 . . 1 . . . . 26 PRO CG . 6173 1 319 . 1 1 26 26 PRO CD C 13 53.005 . . 1 . . . . 26 PRO CD . 6173 1 320 . 1 1 27 27 LEU H H 1 8.861 . . 1 . . . . 27 LEU H . 6173 1 321 . 1 1 27 27 LEU HA H 1 4.101 . . 1 . . . . 27 LEU HA . 6173 1 322 . 1 1 27 27 LEU HB2 H 1 1.787 . . 2 . . . . 27 LEU HB2 . 6173 1 323 . 1 1 27 27 LEU HB3 H 1 1.608 . . 2 . . . . 27 LEU HB3 . 6173 1 324 . 1 1 27 27 LEU HG H 1 1.702 . . 1 . . . . 27 LEU HG . 6173 1 325 . 1 1 27 27 LEU HD11 H 1 1.018 . . 1 . . . . 27 LEU HD1 . 6173 1 326 . 1 1 27 27 LEU HD12 H 1 1.018 . . 1 . . . . 27 LEU HD1 . 6173 1 327 . 1 1 27 27 LEU HD13 H 1 1.018 . . 1 . . . . 27 LEU HD1 . 6173 1 328 . 1 1 27 27 LEU HD21 H 1 1.007 . . 1 . . . . 27 LEU HD2 . 6173 1 329 . 1 1 27 27 LEU HD22 H 1 1.007 . . 1 . . . . 27 LEU HD2 . 6173 1 330 . 1 1 27 27 LEU HD23 H 1 1.007 . . 1 . . . . 27 LEU HD2 . 6173 1 331 . 1 1 27 27 LEU C C 13 177.800 . . 1 . . . . 27 LEU C . 6173 1 332 . 1 1 27 27 LEU CA C 13 57.590 . . 1 . . . . 27 LEU CA . 6173 1 333 . 1 1 27 27 LEU CB C 13 40.721 . . 1 . . . . 27 LEU CB . 6173 1 334 . 1 1 27 27 LEU CG C 13 28.181 . . 1 . . . . 27 LEU CG . 6173 1 335 . 1 1 27 27 LEU CD1 C 13 25.389 . . 1 . . . . 27 LEU CD1 . 6173 1 336 . 1 1 27 27 LEU CD2 C 13 23.200 . . 1 . . . . 27 LEU CD2 . 6173 1 337 . 1 1 27 27 LEU N N 15 127.814 . . 1 . . . . 27 LEU N . 6173 1 338 . 1 1 28 28 ASP H H 1 8.818 . . 1 . . . . 28 ASP H . 6173 1 339 . 1 1 28 28 ASP HA H 1 4.477 . . 1 . . . . 28 ASP HA . 6173 1 340 . 1 1 28 28 ASP HB2 H 1 2.966 . . 2 . . . . 28 ASP HB2 . 6173 1 341 . 1 1 28 28 ASP HB3 H 1 2.698 . . 2 . . . . 28 ASP HB3 . 6173 1 342 . 1 1 28 28 ASP C C 13 174.500 . . 1 . . . . 28 ASP C . 6173 1 343 . 1 1 28 28 ASP CA C 13 55.417 . . 1 . . . . 28 ASP CA . 6173 1 344 . 1 1 28 28 ASP CB C 13 40.527 . . 1 . . . . 28 ASP CB . 6173 1 345 . 1 1 28 28 ASP N N 15 114.920 . . 1 . . . . 28 ASP N . 6173 1 346 . 1 1 29 29 VAL H H 1 7.004 . . 1 . . . . 29 VAL H . 6173 1 347 . 1 1 29 29 VAL HA H 1 4.164 . . 1 . . . . 29 VAL HA . 6173 1 348 . 1 1 29 29 VAL HB H 1 1.955 . . 1 . . . . 29 VAL HB . 6173 1 349 . 1 1 29 29 VAL HG11 H 1 0.976 . . 1 . . . . 29 VAL HG1 . 6173 1 350 . 1 1 29 29 VAL HG12 H 1 0.976 . . 1 . . . . 29 VAL HG1 . 6173 1 351 . 1 1 29 29 VAL HG13 H 1 0.976 . . 1 . . . . 29 VAL HG1 . 6173 1 352 . 1 1 29 29 VAL HG21 H 1 0.865 . . 1 . . . . 29 VAL HG2 . 6173 1 353 . 1 1 29 29 VAL HG22 H 1 0.865 . . 1 . . . . 29 VAL HG2 . 6173 1 354 . 1 1 29 29 VAL HG23 H 1 0.865 . . 1 . . . . 29 VAL HG2 . 6173 1 355 . 1 1 29 29 VAL C C 13 175.600 . . 1 . . . . 29 VAL C . 6173 1 356 . 1 1 29 29 VAL CA C 13 62.553 . . 1 . . . . 29 VAL CA . 6173 1 357 . 1 1 29 29 VAL CB C 13 32.711 . . 1 . . . . 29 VAL CB . 6173 1 358 . 1 1 29 29 VAL CG1 C 13 21.915 . . 1 . . . . 29 VAL CG1 . 6173 1 359 . 1 1 29 29 VAL CG2 C 13 21.015 . . 1 . . . . 29 VAL CG2 . 6173 1 360 . 1 1 29 29 VAL N N 15 119.689 . . 1 . . . . 29 VAL N . 6173 1 361 . 1 1 30 30 ASN H H 1 8.802 . . 1 . . . . 30 ASN H . 6173 1 362 . 1 1 30 30 ASN HA H 1 5.409 . . 1 . . . . 30 ASN HA . 6173 1 363 . 1 1 30 30 ASN HB2 H 1 3.110 . . 2 . . . . 30 ASN HB2 . 6173 1 364 . 1 1 30 30 ASN HB3 H 1 2.619 . . 2 . . . . 30 ASN HB3 . 6173 1 365 . 1 1 30 30 ASN HD21 H 1 7.879 . . 2 . . . . 30 ASN HD21 . 6173 1 366 . 1 1 30 30 ASN HD22 H 1 7.275 . . 2 . . . . 30 ASN HD22 . 6173 1 367 . 1 1 30 30 ASN C C 13 173.400 . . 1 . . . . 30 ASN C . 6173 1 368 . 1 1 30 30 ASN CA C 13 53.262 . . 1 . . . . 30 ASN CA . 6173 1 369 . 1 1 30 30 ASN CB C 13 41.186 . . 1 . . . . 30 ASN CB . 6173 1 370 . 1 1 30 30 ASN N N 15 122.479 . . 1 . . . . 30 ASN N . 6173 1 371 . 1 1 30 30 ASN ND2 N 15 117.3 . . 1 . . . . 30 ASN ND2 . 6173 1 372 . 1 1 31 31 SER H H 1 7.329 . . 1 . . . . 31 SER H . 6173 1 373 . 1 1 31 31 SER HA H 1 4.878 . . 1 . . . . 31 SER HA . 6173 1 374 . 1 1 31 31 SER HB2 H 1 4.352 . . 2 . . . . 31 SER HB2 . 6173 1 375 . 1 1 31 31 SER HB3 H 1 3.943 . . 2 . . . . 31 SER HB3 . 6173 1 376 . 1 1 31 31 SER C C 13 173.700 . . 1 . . . . 31 SER C . 6173 1 377 . 1 1 31 31 SER CA C 13 56.428 . . 1 . . . . 31 SER CA . 6173 1 378 . 1 1 31 31 SER CB C 13 67.086 . . 1 . . . . 31 SER CB . 6173 1 379 . 1 1 31 31 SER N N 15 109.583 . . 1 . . . . 31 SER N . 6173 1 380 . 1 1 32 32 ARG H H 1 8.688 . . 1 . . . . 32 ARG H . 6173 1 381 . 1 1 32 32 ARG HA H 1 4.229 . . 1 . . . . 32 ARG HA . 6173 1 382 . 1 1 32 32 ARG HB2 H 1 1.924 . . 2 . . . . 32 ARG HB2 . 6173 1 383 . 1 1 32 32 ARG HB3 H 1 1.838 . . 2 . . . . 32 ARG HB3 . 6173 1 384 . 1 1 32 32 ARG HG2 H 1 1.707 . . 1 . . . . 32 ARG HG2 . 6173 1 385 . 1 1 32 32 ARG HG3 H 1 1.707 . . 1 . . . . 32 ARG HG3 . 6173 1 386 . 1 1 32 32 ARG HD2 H 1 3.171 . . 1 . . . . 32 ARG HD2 . 6173 1 387 . 1 1 32 32 ARG HD3 H 1 3.171 . . 1 . . . . 32 ARG HD3 . 6173 1 388 . 1 1 32 32 ARG C C 13 178.300 . . 1 . . . . 32 ARG C . 6173 1 389 . 1 1 32 32 ARG CA C 13 58.914 . . 1 . . . . 32 ARG CA . 6173 1 390 . 1 1 32 32 ARG CB C 13 30.785 . . 1 . . . . 32 ARG CB . 6173 1 391 . 1 1 32 32 ARG CG C 13 27.285 . . 1 . . . . 32 ARG CG . 6173 1 392 . 1 1 32 32 ARG CD C 13 43.666 . . 1 . . . . 32 ARG CD . 6173 1 393 . 1 1 32 32 ARG N N 15 123.538 . . 1 . . . . 32 ARG N . 6173 1 394 . 1 1 33 33 GLU H H 1 9.157 . . 1 . . . . 33 GLU H . 6173 1 395 . 1 1 33 33 GLU HA H 1 4.012 . . 1 . . . . 33 GLU HA . 6173 1 396 . 1 1 33 33 GLU HB2 H 1 2.143 . . 2 . . . . 33 GLU HB2 . 6173 1 397 . 1 1 33 33 GLU HB3 H 1 1.955 . . 2 . . . . 33 GLU HB3 . 6173 1 398 . 1 1 33 33 GLU HG2 H 1 2.459 . . 2 . . . . 33 GLU HG2 . 6173 1 399 . 1 1 33 33 GLU HG3 H 1 2.276 . . 2 . . . . 33 GLU HG3 . 6173 1 400 . 1 1 33 33 GLU C C 13 179.900 . . 1 . . . . 33 GLU C . 6173 1 401 . 1 1 33 33 GLU CA C 13 60.615 . . 1 . . . . 33 GLU CA . 6173 1 402 . 1 1 33 33 GLU CB C 13 28.895 . . 1 . . . . 33 GLU CB . 6173 1 403 . 1 1 33 33 GLU CG C 13 37.062 . . 1 . . . . 33 GLU CG . 6173 1 404 . 1 1 33 33 GLU N N 15 120.517 . . 1 . . . . 33 GLU N . 6173 1 405 . 1 1 34 34 GLU H H 1 7.623 . . 1 . . . . 34 GLU H . 6173 1 406 . 1 1 34 34 GLU HA H 1 4.096 . . 1 . . . . 34 GLU HA . 6173 1 407 . 1 1 34 34 GLU HB2 H 1 2.167 . . 2 . . . . 34 GLU HB2 . 6173 1 408 . 1 1 34 34 GLU HB3 H 1 2.000 . . 2 . . . . 34 GLU HB3 . 6173 1 409 . 1 1 34 34 GLU HG2 H 1 2.409 . . 2 . . . . 34 GLU HG2 . 6173 1 410 . 1 1 34 34 GLU HG3 H 1 2.292 . . 2 . . . . 34 GLU HG3 . 6173 1 411 . 1 1 34 34 GLU C C 13 179.100 . . 1 . . . . 34 GLU C . 6173 1 412 . 1 1 34 34 GLU CA C 13 58.647 . . 1 . . . . 34 GLU CA . 6173 1 413 . 1 1 34 34 GLU CB C 13 30.874 . . 1 . . . . 34 GLU CB . 6173 1 414 . 1 1 34 34 GLU CG C 13 36.832 . . 1 . . . . 34 GLU CG . 6173 1 415 . 1 1 34 34 GLU N N 15 118.275 . . 1 . . . . 34 GLU N . 6173 1 416 . 1 1 35 35 ALA H H 1 8.131 . . 1 . . . . 35 ALA H . 6173 1 417 . 1 1 35 35 ALA HA H 1 3.828 . . 1 . . . . 35 ALA HA . 6173 1 418 . 1 1 35 35 ALA HB1 H 1 1.367 . . 1 . . . . 35 ALA HB . 6173 1 419 . 1 1 35 35 ALA HB2 H 1 1.367 . . 1 . . . . 35 ALA HB . 6173 1 420 . 1 1 35 35 ALA HB3 H 1 1.367 . . 1 . . . . 35 ALA HB . 6173 1 421 . 1 1 35 35 ALA C C 13 179.800 . . 1 . . . . 35 ALA C . 6173 1 422 . 1 1 35 35 ALA CA C 13 55.337 . . 1 . . . . 35 ALA CA . 6173 1 423 . 1 1 35 35 ALA CB C 13 18.361 . . 1 . . . . 35 ALA CB . 6173 1 424 . 1 1 35 35 ALA N N 15 123.551 . . 1 . . . . 35 ALA N . 6173 1 425 . 1 1 36 36 SER H H 1 8.279 . . 1 . . . . 36 SER H . 6173 1 426 . 1 1 36 36 SER HA H 1 3.875 . . 1 . . . . 36 SER HA . 6173 1 427 . 1 1 36 36 SER HB2 H 1 4.003 . . 1 . . . . 36 SER HB2 . 6173 1 428 . 1 1 36 36 SER HB3 H 1 4.003 . . 1 . . . . 36 SER HB3 . 6173 1 429 . 1 1 36 36 SER C C 13 176.100 . . 1 . . . . 36 SER C . 6173 1 430 . 1 1 36 36 SER CA C 13 61.573 . . 1 . . . . 36 SER CA . 6173 1 431 . 1 1 36 36 SER CB C 13 63.126 . . 1 . . . . 36 SER CB . 6173 1 432 . 1 1 36 36 SER N N 15 112.905 . . 1 . . . . 36 SER N . 6173 1 433 . 1 1 37 37 LYS H H 1 7.120 . . 1 . . . . 37 LYS H . 6173 1 434 . 1 1 37 37 LYS HA H 1 4.203 . . 1 . . . . 37 LYS HA . 6173 1 435 . 1 1 37 37 LYS HB2 H 1 2.016 . . 2 . . . . 37 LYS HB2 . 6173 1 436 . 1 1 37 37 LYS HB3 H 1 1.854 . . 2 . . . . 37 LYS HB3 . 6173 1 437 . 1 1 37 37 LYS HG2 H 1 1.490 . . 2 . . . . 37 LYS HG2 . 6173 1 438 . 1 1 37 37 LYS HG3 H 1 1.619 . . 2 . . . . 37 LYS HG3 . 6173 1 439 . 1 1 37 37 LYS HD2 H 1 1.715 . . 1 . . . . 37 LYS HD2 . 6173 1 440 . 1 1 37 37 LYS HD3 H 1 1.715 . . 1 . . . . 37 LYS HD3 . 6173 1 441 . 1 1 37 37 LYS HE2 H 1 2.953 . . 1 . . . . 37 LYS HE2 . 6173 1 442 . 1 1 37 37 LYS HE3 H 1 2.953 . . 1 . . . . 37 LYS HE3 . 6173 1 443 . 1 1 37 37 LYS C C 13 177.100 . . 1 . . . . 37 LYS C . 6173 1 444 . 1 1 37 37 LYS CA C 13 57.553 . . 1 . . . . 37 LYS CA . 6173 1 445 . 1 1 37 37 LYS CB C 13 32.178 . . 1 . . . . 37 LYS CB . 6173 1 446 . 1 1 37 37 LYS CG C 13 25.462 . . 1 . . . . 37 LYS CG . 6173 1 447 . 1 1 37 37 LYS CD C 13 29.467 . . 1 . . . . 37 LYS CD . 6173 1 448 . 1 1 37 37 LYS CE C 13 42.490 . . 1 . . . . 37 LYS CE . 6173 1 449 . 1 1 37 37 LYS N N 15 119.081 . . 1 . . . . 37 LYS N . 6173 1 450 . 1 1 38 38 LEU H H 1 7.877 . . 1 . . . . 38 LEU H . 6173 1 451 . 1 1 38 38 LEU HA H 1 4.138 . . 1 . . . . 38 LEU HA . 6173 1 452 . 1 1 38 38 LEU HB2 H 1 1.576 . . 2 . . . . 38 LEU HB2 . 6173 1 453 . 1 1 38 38 LEU HB3 H 1 2.010 . . 2 . . . . 38 LEU HB3 . 6173 1 454 . 1 1 38 38 LEU HG H 1 1.767 . . 1 . . . . 38 LEU HG . 6173 1 455 . 1 1 38 38 LEU HD11 H 1 0.911 . . 1 . . . . 38 LEU HD1 . 6173 1 456 . 1 1 38 38 LEU HD12 H 1 0.911 . . 1 . . . . 38 LEU HD1 . 6173 1 457 . 1 1 38 38 LEU HD13 H 1 0.911 . . 1 . . . . 38 LEU HD1 . 6173 1 458 . 1 1 38 38 LEU HD21 H 1 0.735 . . 1 . . . . 38 LEU HD2 . 6173 1 459 . 1 1 38 38 LEU HD22 H 1 0.735 . . 1 . . . . 38 LEU HD2 . 6173 1 460 . 1 1 38 38 LEU HD23 H 1 0.735 . . 1 . . . . 38 LEU HD2 . 6173 1 461 . 1 1 38 38 LEU C C 13 176.400 . . 1 . . . . 38 LEU C . 6173 1 462 . 1 1 38 38 LEU CA C 13 54.225 . . 1 . . . . 38 LEU CA . 6173 1 463 . 1 1 38 38 LEU CB C 13 42.192 . . 1 . . . . 38 LEU CB . 6173 1 464 . 1 1 38 38 LEU CG C 13 27.130 . . 1 . . . . 38 LEU CG . 6173 1 465 . 1 1 38 38 LEU CD1 C 13 26.604 . . 1 . . . . 38 LEU CD1 . 6173 1 466 . 1 1 38 38 LEU CD2 C 13 23.005 . . 1 . . . . 38 LEU CD2 . 6173 1 467 . 1 1 38 38 LEU N N 15 115.729 . . 1 . . . . 38 LEU N . 6173 1 468 . 1 1 39 39 ILE H H 1 6.958 . . 1 . . . . 39 ILE H . 6173 1 469 . 1 1 39 39 ILE HA H 1 3.252 . . 1 . . . . 39 ILE HA . 6173 1 470 . 1 1 39 39 ILE HB H 1 1.873 . . 1 . . . . 39 ILE HB . 6173 1 471 . 1 1 39 39 ILE HG12 H 1 1.104 . . 2 . . . . 39 ILE HG12 . 6173 1 472 . 1 1 39 39 ILE HG13 H 1 1.608 . . 2 . . . . 39 ILE HG13 . 6173 1 473 . 1 1 39 39 ILE HG21 H 1 0.890 . . 1 . . . . 39 ILE HG2 . 6173 1 474 . 1 1 39 39 ILE HG22 H 1 0.890 . . 1 . . . . 39 ILE HG2 . 6173 1 475 . 1 1 39 39 ILE HG23 H 1 0.890 . . 1 . . . . 39 ILE HG2 . 6173 1 476 . 1 1 39 39 ILE HD11 H 1 0.894 . . 1 . . . . 39 ILE HD1 . 6173 1 477 . 1 1 39 39 ILE HD12 H 1 0.894 . . 1 . . . . 39 ILE HD1 . 6173 1 478 . 1 1 39 39 ILE HD13 H 1 0.894 . . 1 . . . . 39 ILE HD1 . 6173 1 479 . 1 1 39 39 ILE C C 13 177.100 . . 1 . . . . 39 ILE C . 6173 1 480 . 1 1 39 39 ILE CA C 13 63.952 . . 1 . . . . 39 ILE CA . 6173 1 481 . 1 1 39 39 ILE CB C 13 36.338 . . 1 . . . . 39 ILE CB . 6173 1 482 . 1 1 39 39 ILE CG1 C 13 28.716 . . 1 . . . . 39 ILE CG1 . 6173 1 483 . 1 1 39 39 ILE CG2 C 13 17.681 . . 1 . . . . 39 ILE CG2 . 6173 1 484 . 1 1 39 39 ILE CD1 C 13 12.396 . . 1 . . . . 39 ILE CD1 . 6173 1 485 . 1 1 39 39 ILE N N 15 118.446 . . 1 . . . . 39 ILE N . 6173 1 486 . 1 1 40 40 GLY H H 1 8.877 . . 1 . . . . 40 GLY H . 6173 1 487 . 1 1 40 40 GLY HA2 H 1 4.518 . . 2 . . . . 40 GLY HA2 . 6173 1 488 . 1 1 40 40 GLY HA3 H 1 3.611 . . 2 . . . . 40 GLY HA3 . 6173 1 489 . 1 1 40 40 GLY C C 13 174.600 . . 1 . . . . 40 GLY C . 6173 1 490 . 1 1 40 40 GLY CA C 13 44.763 . . 1 . . . . 40 GLY CA . 6173 1 491 . 1 1 40 40 GLY N N 15 115.966 . . 1 . . . . 40 GLY N . 6173 1 492 . 1 1 41 41 ARG H H 1 7.939 . . 1 . . . . 41 ARG H . 6173 1 493 . 1 1 41 41 ARG HA H 1 4.481 . . 1 . . . . 41 ARG HA . 6173 1 494 . 1 1 41 41 ARG HB2 H 1 2.118 . . 2 . . . . 41 ARG HB2 . 6173 1 495 . 1 1 41 41 ARG HB3 H 1 1.888 . . 2 . . . . 41 ARG HB3 . 6173 1 496 . 1 1 41 41 ARG HG2 H 1 1.661 . . 2 . . . . 41 ARG HG2 . 6173 1 497 . 1 1 41 41 ARG HG3 H 1 1.710 . . 2 . . . . 41 ARG HG3 . 6173 1 498 . 1 1 41 41 ARG HD2 H 1 3.004 . . 1 . . . . 41 ARG HD2 . 6173 1 499 . 1 1 41 41 ARG HD3 H 1 3.004 . . 1 . . . . 41 ARG HD3 . 6173 1 500 . 1 1 41 41 ARG C C 13 175.000 . . 1 . . . . 41 ARG C . 6173 1 501 . 1 1 41 41 ARG CA C 13 56.298 . . 1 . . . . 41 ARG CA . 6173 1 502 . 1 1 41 41 ARG CB C 13 30.619 . . 1 . . . . 41 ARG CB . 6173 1 503 . 1 1 41 41 ARG CG C 13 28.122 . . 1 . . . . 41 ARG CG . 6173 1 504 . 1 1 41 41 ARG CD C 13 43.544 . . 1 . . . . 41 ARG CD . 6173 1 505 . 1 1 41 41 ARG N N 15 118.629 . . 1 . . . . 41 ARG N . 6173 1 506 . 1 1 42 42 LEU H H 1 8.400 . . 1 . . . . 42 LEU H . 6173 1 507 . 1 1 42 42 LEU HA H 1 4.773 . . 1 . . . . 42 LEU HA . 6173 1 508 . 1 1 42 42 LEU HB2 H 1 1.667 . . 2 . . . . 42 LEU HB2 . 6173 1 509 . 1 1 42 42 LEU HB3 H 1 1.607 . . 2 . . . . 42 LEU HB3 . 6173 1 510 . 1 1 42 42 LEU HG H 1 1.613 . . 1 . . . . 42 LEU HG . 6173 1 511 . 1 1 42 42 LEU HD11 H 1 1.009 . . 1 . . . . 42 LEU HD1 . 6173 1 512 . 1 1 42 42 LEU HD12 H 1 1.009 . . 1 . . . . 42 LEU HD1 . 6173 1 513 . 1 1 42 42 LEU HD13 H 1 1.009 . . 1 . . . . 42 LEU HD1 . 6173 1 514 . 1 1 42 42 LEU HD21 H 1 0.885 . . 1 . . . . 42 LEU HD2 . 6173 1 515 . 1 1 42 42 LEU HD22 H 1 0.885 . . 1 . . . . 42 LEU HD2 . 6173 1 516 . 1 1 42 42 LEU HD23 H 1 0.885 . . 1 . . . . 42 LEU HD2 . 6173 1 517 . 1 1 42 42 LEU C C 13 175.200 . . 1 . . . . 42 LEU C . 6173 1 518 . 1 1 42 42 LEU CA C 13 54.561 . . 1 . . . . 42 LEU CA . 6173 1 519 . 1 1 42 42 LEU CB C 13 44.111 . . 1 . . . . 42 LEU CB . 6173 1 520 . 1 1 42 42 LEU CG C 13 27.718 . . 1 . . . . 42 LEU CG . 6173 1 521 . 1 1 42 42 LEU CD1 C 13 24.758 . . 1 . . . . 42 LEU CD1 . 6173 1 522 . 1 1 42 42 LEU CD2 C 13 24.966 . . 1 . . . . 42 LEU CD2 . 6173 1 523 . 1 1 42 42 LEU N N 15 121.347 . . 1 . . . . 42 LEU N . 6173 1 524 . 1 1 43 43 VAL H H 1 8.189 . . 1 . . . . 43 VAL H . 6173 1 525 . 1 1 43 43 VAL HA H 1 5.045 . . 1 . . . . 43 VAL HA . 6173 1 526 . 1 1 43 43 VAL HB H 1 1.398 . . 1 . . . . 43 VAL HB . 6173 1 527 . 1 1 43 43 VAL HG11 H 1 0.774 . . 1 . . . . 43 VAL HG1 . 6173 1 528 . 1 1 43 43 VAL HG12 H 1 0.774 . . 1 . . . . 43 VAL HG1 . 6173 1 529 . 1 1 43 43 VAL HG13 H 1 0.774 . . 1 . . . . 43 VAL HG1 . 6173 1 530 . 1 1 43 43 VAL HG21 H 1 0.712 . . 1 . . . . 43 VAL HG2 . 6173 1 531 . 1 1 43 43 VAL HG22 H 1 0.712 . . 1 . . . . 43 VAL HG2 . 6173 1 532 . 1 1 43 43 VAL HG23 H 1 0.712 . . 1 . . . . 43 VAL HG2 . 6173 1 533 . 1 1 43 43 VAL C C 13 173.800 . . 1 . . . . 43 VAL C . 6173 1 534 . 1 1 43 43 VAL CA C 13 59.401 . . 1 . . . . 43 VAL CA . 6173 1 535 . 1 1 43 43 VAL CB C 13 34.438 . . 1 . . . . 43 VAL CB . 6173 1 536 . 1 1 43 43 VAL CG1 C 13 22.117 . . 1 . . . . 43 VAL CG1 . 6173 1 537 . 1 1 43 43 VAL CG2 C 13 22.452 . . 1 . . . . 43 VAL CG2 . 6173 1 538 . 1 1 43 43 VAL N N 15 120.875 . . 1 . . . . 43 VAL N . 6173 1 539 . 1 1 44 44 LEU H H 1 9.320 . . 1 . . . . 44 LEU H . 6173 1 540 . 1 1 44 44 LEU HA H 1 5.371 . . 1 . . . . 44 LEU HA . 6173 1 541 . 1 1 44 44 LEU HB2 H 1 1.337 . . 2 . . . . 44 LEU HB2 . 6173 1 542 . 1 1 44 44 LEU HB3 H 1 1.856 . . 2 . . . . 44 LEU HB3 . 6173 1 543 . 1 1 44 44 LEU HG H 1 1.575 . . 1 . . . . 44 LEU HG . 6173 1 544 . 1 1 44 44 LEU HD11 H 1 0.861 . . 2 . . . . 44 LEU HD1 . 6173 1 545 . 1 1 44 44 LEU HD12 H 1 0.861 . . 2 . . . . 44 LEU HD1 . 6173 1 546 . 1 1 44 44 LEU HD13 H 1 0.861 . . 2 . . . . 44 LEU HD1 . 6173 1 547 . 1 1 44 44 LEU HD21 H 1 0.861 . . 2 . . . . 44 LEU HD2 . 6173 1 548 . 1 1 44 44 LEU HD22 H 1 0.861 . . 2 . . . . 44 LEU HD2 . 6173 1 549 . 1 1 44 44 LEU HD23 H 1 0.861 . . 2 . . . . 44 LEU HD2 . 6173 1 550 . 1 1 44 44 LEU C C 13 176.600 . . 1 . . . . 44 LEU C . 6173 1 551 . 1 1 44 44 LEU CA C 13 53.600 . . 1 . . . . 44 LEU CA . 6173 1 552 . 1 1 44 44 LEU CB C 13 44.381 . . 1 . . . . 44 LEU CB . 6173 1 553 . 1 1 44 44 LEU CG C 13 27.335 . . 1 . . . . 44 LEU CG . 6173 1 554 . 1 1 44 44 LEU CD1 C 13 23.820 . . 1 . . . . 44 LEU CD1 . 6173 1 555 . 1 1 44 44 LEU CD2 C 13 23.820 . . 1 . . . . 44 LEU CD2 . 6173 1 556 . 1 1 44 44 LEU N N 15 124.820 . . 1 . . . . 44 LEU N . 6173 1 557 . 1 1 45 45 TRP H H 1 9.251 . . 1 . . . . 45 TRP H . 6173 1 558 . 1 1 45 45 TRP HA H 1 5.023 . . 1 . . . . 45 TRP HA . 6173 1 559 . 1 1 45 45 TRP HB2 H 1 2.792 . . 2 . . . . 45 TRP HB2 . 6173 1 560 . 1 1 45 45 TRP HB3 H 1 3.179 . . 2 . . . . 45 TRP HB3 . 6173 1 561 . 1 1 45 45 TRP C C 13 173.100 . . 1 . . . . 45 TRP C . 6173 1 562 . 1 1 45 45 TRP CA C 13 57.182 . . 1 . . . . 45 TRP CA . 6173 1 563 . 1 1 45 45 TRP CB C 13 31.353 . . 1 . . . . 45 TRP CB . 6173 1 564 . 1 1 45 45 TRP N N 15 125.368 . . 1 . . . . 45 TRP N . 6173 1 565 . 1 1 46 46 LYS H H 1 8.064 . . 1 . . . . 46 LYS H . 6173 1 566 . 1 1 46 46 LYS HA H 1 4.314 . . 1 . . . . 46 LYS HA . 6173 1 567 . 1 1 46 46 LYS HB2 H 1 1.521 . . 2 . . . . 46 LYS HB2 . 6173 1 568 . 1 1 46 46 LYS HB3 H 1 1.313 . . 2 . . . . 46 LYS HB3 . 6173 1 569 . 1 1 46 46 LYS HG2 H 1 1.190 . . 2 . . . . 46 LYS HG2 . 6173 1 570 . 1 1 46 46 LYS HG3 H 1 1.009 . . 2 . . . . 46 LYS HG3 . 6173 1 571 . 1 1 46 46 LYS HD2 H 1 1.553 . . 1 . . . . 46 LYS HD2 . 6173 1 572 . 1 1 46 46 LYS HD3 H 1 1.553 . . 1 . . . . 46 LYS HD3 . 6173 1 573 . 1 1 46 46 LYS HE2 H 1 2.864 . . 1 . . . . 46 LYS HE2 . 6173 1 574 . 1 1 46 46 LYS HE3 H 1 2.864 . . 1 . . . . 46 LYS HE3 . 6173 1 575 . 1 1 46 46 LYS C C 13 173.800 . . 1 . . . . 46 LYS C . 6173 1 576 . 1 1 46 46 LYS CA C 13 55.132 . . 1 . . . . 46 LYS CA . 6173 1 577 . 1 1 46 46 LYS CB C 13 32.714 . . 1 . . . . 46 LYS CB . 6173 1 578 . 1 1 46 46 LYS CG C 13 24.384 . . 1 . . . . 46 LYS CG . 6173 1 579 . 1 1 46 46 LYS CD C 13 29.434 . . 1 . . . . 46 LYS CD . 6173 1 580 . 1 1 46 46 LYS N N 15 129.540 . . 1 . . . . 46 LYS N . 6173 1 581 . 1 1 47 47 SER H H 1 8.208 . . 1 . . . . 47 SER H . 6173 1 582 . 1 1 47 47 SER HA H 1 3.245 . . 1 . . . . 47 SER HA . 6173 1 583 . 1 1 47 47 SER HB2 H 1 4.106 . . 2 . . . . 47 SER HB2 . 6173 1 584 . 1 1 47 47 SER HB3 H 1 3.493 . . 2 . . . . 47 SER HB3 . 6173 1 585 . 1 1 47 47 SER CA C 13 56.564 . . 1 . . . . 47 SER CA . 6173 1 586 . 1 1 47 47 SER CB C 13 63.584 . . 1 . . . . 47 SER CB . 6173 1 587 . 1 1 47 47 SER N N 15 124.549 . . 1 . . . . 47 SER N . 6173 1 588 . 1 1 48 48 PRO HA H 1 4.286 . . 1 . . . . 48 PRO HA . 6173 1 589 . 1 1 48 48 PRO HB2 H 1 2.439 . . 2 . . . . 48 PRO HB2 . 6173 1 590 . 1 1 48 48 PRO HB3 H 1 1.952 . . 2 . . . . 48 PRO HB3 . 6173 1 591 . 1 1 48 48 PRO HG2 H 1 2.184 . . 2 . . . . 48 PRO HG2 . 6173 1 592 . 1 1 48 48 PRO HG3 H 1 2.114 . . 2 . . . . 48 PRO HG3 . 6173 1 593 . 1 1 48 48 PRO HD2 H 1 3.854 . . 1 . . . . 48 PRO HD2 . 6173 1 594 . 1 1 48 48 PRO HD3 H 1 3.854 . . 1 . . . . 48 PRO HD3 . 6173 1 595 . 1 1 48 48 PRO C C 13 177.5 . . 1 . . . . 48 PRO C . 6173 1 596 . 1 1 48 48 PRO CA C 13 65.461 . . 1 . . . . 48 PRO CA . 6173 1 597 . 1 1 48 48 PRO CB C 13 31.723 . . 1 . . . . 48 PRO CB . 6173 1 598 . 1 1 48 48 PRO CG C 13 27.826 . . 1 . . . . 48 PRO CG . 6173 1 599 . 1 1 48 48 PRO CD C 13 50.999 . . 1 . . . . 48 PRO CD . 6173 1 600 . 1 1 49 49 SER H H 1 7.754 . . 1 . . . . 49 SER H . 6173 1 601 . 1 1 49 49 SER HA H 1 4.414 . . 1 . . . . 49 SER HA . 6173 1 602 . 1 1 49 49 SER HB2 H 1 4.041 . . 2 . . . . 49 SER HB2 . 6173 1 603 . 1 1 49 49 SER HB3 H 1 3.889 . . 2 . . . . 49 SER HB3 . 6173 1 604 . 1 1 49 49 SER C C 13 175.200 . . 1 . . . . 49 SER C . 6173 1 605 . 1 1 49 49 SER CA C 13 58.552 . . 1 . . . . 49 SER CA . 6173 1 606 . 1 1 49 49 SER CB C 13 63.820 . . 1 . . . . 49 SER CB . 6173 1 607 . 1 1 49 49 SER N N 15 109.7 . . 1 . . . . 49 SER N . 6173 1 608 . 1 1 50 50 GLY H H 1 8.194 . . 1 . . . . 50 GLY H . 6173 1 609 . 1 1 50 50 GLY HA2 H 1 3.314 . . 2 . . . . 50 GLY HA2 . 6173 1 610 . 1 1 50 50 GLY HA3 H 1 4.354 . . 2 . . . . 50 GLY HA3 . 6173 1 611 . 1 1 50 50 GLY C C 13 173.700 . . 1 . . . . 50 GLY C . 6173 1 612 . 1 1 50 50 GLY CA C 13 45.031 . . 1 . . . . 50 GLY CA . 6173 1 613 . 1 1 50 50 GLY N N 15 111.568 . . 1 . . . . 50 GLY N . 6173 1 614 . 1 1 51 51 LYS H H 1 7.246 . . 1 . . . . 51 LYS H . 6173 1 615 . 1 1 51 51 LYS HA H 1 4.246 . . 1 . . . . 51 LYS HA . 6173 1 616 . 1 1 51 51 LYS HB2 H 1 1.660 . . 2 . . . . 51 LYS HB2 . 6173 1 617 . 1 1 51 51 LYS HB3 H 1 1.603 . . 2 . . . . 51 LYS HB3 . 6173 1 618 . 1 1 51 51 LYS HG2 H 1 1.410 . . 2 . . . . 51 LYS HG2 . 6173 1 619 . 1 1 51 51 LYS HG3 H 1 1.316 . . 2 . . . . 51 LYS HG3 . 6173 1 620 . 1 1 51 51 LYS HD2 H 1 1.668 . . 1 . . . . 51 LYS HD2 . 6173 1 621 . 1 1 51 51 LYS HD3 H 1 1.668 . . 1 . . . . 51 LYS HD3 . 6173 1 622 . 1 1 51 51 LYS HE2 H 1 2.998 . . 1 . . . . 51 LYS HE2 . 6173 1 623 . 1 1 51 51 LYS HE3 H 1 2.998 . . 1 . . . . 51 LYS HE3 . 6173 1 624 . 1 1 51 51 LYS C C 13 175.900 . . 1 . . . . 51 LYS C . 6173 1 625 . 1 1 51 51 LYS CA C 13 55.948 . . 1 . . . . 51 LYS CA . 6173 1 626 . 1 1 51 51 LYS CB C 13 32.893 . . 1 . . . . 51 LYS CB . 6173 1 627 . 1 1 51 51 LYS CG C 13 24.974 . . 1 . . . . 51 LYS CG . 6173 1 628 . 1 1 51 51 LYS CD C 13 28.918 . . 1 . . . . 51 LYS CD . 6173 1 629 . 1 1 51 51 LYS CE C 13 42.342 . . 1 . . . . 51 LYS CE . 6173 1 630 . 1 1 51 51 LYS N N 15 120.424 . . 1 . . . . 51 LYS N . 6173 1 631 . 1 1 52 52 ILE H H 1 8.718 . . 1 . . . . 52 ILE H . 6173 1 632 . 1 1 52 52 ILE HA H 1 4.670 . . 1 . . . . 52 ILE HA . 6173 1 633 . 1 1 52 52 ILE HB H 1 1.870 . . 1 . . . . 52 ILE HB . 6173 1 634 . 1 1 52 52 ILE HG12 H 1 1.603 . . 2 . . . . 52 ILE HG12 . 6173 1 635 . 1 1 52 52 ILE HG13 H 1 1.082 . . 2 . . . . 52 ILE HG13 . 6173 1 636 . 1 1 52 52 ILE HG21 H 1 0.839 . . 1 . . . . 52 ILE HG2 . 6173 1 637 . 1 1 52 52 ILE HG22 H 1 0.839 . . 1 . . . . 52 ILE HG2 . 6173 1 638 . 1 1 52 52 ILE HG23 H 1 0.839 . . 1 . . . . 52 ILE HG2 . 6173 1 639 . 1 1 52 52 ILE HD11 H 1 0.805 . . 1 . . . . 52 ILE HD1 . 6173 1 640 . 1 1 52 52 ILE HD12 H 1 0.805 . . 1 . . . . 52 ILE HD1 . 6173 1 641 . 1 1 52 52 ILE HD13 H 1 0.805 . . 1 . . . . 52 ILE HD1 . 6173 1 642 . 1 1 52 52 ILE C C 13 176.100 . . 1 . . . . 52 ILE C . 6173 1 643 . 1 1 52 52 ILE CA C 13 60.261 . . 1 . . . . 52 ILE CA . 6173 1 644 . 1 1 52 52 ILE CB C 13 38.268 . . 1 . . . . 52 ILE CB . 6173 1 645 . 1 1 52 52 ILE CG1 C 13 27.734 . . 1 . . . . 52 ILE CG1 . 6173 1 646 . 1 1 52 52 ILE CG2 C 13 18.843 . . 1 . . . . 52 ILE CG2 . 6173 1 647 . 1 1 52 52 ILE CD1 C 13 12.186 . . 1 . . . . 52 ILE CD1 . 6173 1 648 . 1 1 52 52 ILE N N 15 125.588 . . 1 . . . . 52 ILE N . 6173 1 649 . 1 1 53 53 LEU H H 1 9.558 . . 1 . . . . 53 LEU H . 6173 1 650 . 1 1 53 53 LEU HA H 1 4.930 . . 1 . . . . 53 LEU HA . 6173 1 651 . 1 1 53 53 LEU HB2 H 1 2.187 . . 2 . . . . 53 LEU HB2 . 6173 1 652 . 1 1 53 53 LEU HB3 H 1 1.956 . . 2 . . . . 53 LEU HB3 . 6173 1 653 . 1 1 53 53 LEU HG H 1 1.958 . . 1 . . . . 53 LEU HG . 6173 1 654 . 1 1 53 53 LEU HD11 H 1 1.126 . . 1 . . . . 53 LEU HD1 . 6173 1 655 . 1 1 53 53 LEU HD12 H 1 1.126 . . 1 . . . . 53 LEU HD1 . 6173 1 656 . 1 1 53 53 LEU HD13 H 1 1.126 . . 1 . . . . 53 LEU HD1 . 6173 1 657 . 1 1 53 53 LEU HD21 H 1 1.043 . . 1 . . . . 53 LEU HD2 . 6173 1 658 . 1 1 53 53 LEU HD22 H 1 1.043 . . 1 . . . . 53 LEU HD2 . 6173 1 659 . 1 1 53 53 LEU HD23 H 1 1.043 . . 1 . . . . 53 LEU HD2 . 6173 1 660 . 1 1 53 53 LEU C C 13 175.800 . . 1 . . . . 53 LEU C . 6173 1 661 . 1 1 53 53 LEU CA C 13 54.305 . . 1 . . . . 53 LEU CA . 6173 1 662 . 1 1 53 53 LEU CB C 13 44.080 . . 1 . . . . 53 LEU CB . 6173 1 663 . 1 1 53 53 LEU CG C 13 28.891 . . 1 . . . . 53 LEU CG . 6173 1 664 . 1 1 53 53 LEU CD1 C 13 25.195 . . 1 . . . . 53 LEU CD1 . 6173 1 665 . 1 1 53 53 LEU CD2 C 13 24.358 . . 1 . . . . 53 LEU CD2 . 6173 1 666 . 1 1 53 53 LEU N N 15 131.583 . . 1 . . . . 53 LEU N . 6173 1 667 . 1 1 54 54 LYS H H 1 8.746 . . 1 . . . . 54 LYS H . 6173 1 668 . 1 1 54 54 LYS HA H 1 5.463 . . 1 . . . . 54 LYS HA . 6173 1 669 . 1 1 54 54 LYS HB2 H 1 1.829 . . 2 . . . . 54 LYS HB2 . 6173 1 670 . 1 1 54 54 LYS HB3 H 1 1.722 . . 2 . . . . 54 LYS HB3 . 6173 1 671 . 1 1 54 54 LYS HG2 H 1 1.341 . . 2 . . . . 54 LYS HG2 . 6173 1 672 . 1 1 54 54 LYS HG3 H 1 1.516 . . 2 . . . . 54 LYS HG3 . 6173 1 673 . 1 1 54 54 LYS HD2 H 1 1.711 . . 1 . . . . 54 LYS HD2 . 6173 1 674 . 1 1 54 54 LYS HD3 H 1 1.711 . . 1 . . . . 54 LYS HD3 . 6173 1 675 . 1 1 54 54 LYS HE2 H 1 2.925 . . 2 . . . . 54 LYS HE2 . 6173 1 676 . 1 1 54 54 LYS HE3 H 1 2.969 . . 2 . . . . 54 LYS HE3 . 6173 1 677 . 1 1 54 54 LYS C C 13 176.200 . . 1 . . . . 54 LYS C . 6173 1 678 . 1 1 54 54 LYS CA C 13 55.474 . . 1 . . . . 54 LYS CA . 6173 1 679 . 1 1 54 54 LYS CB C 13 35.349 . . 1 . . . . 54 LYS CB . 6173 1 680 . 1 1 54 54 LYS CG C 13 25.190 . . 1 . . . . 54 LYS CG . 6173 1 681 . 1 1 54 54 LYS CD C 13 29.741 . . 1 . . . . 54 LYS CD . 6173 1 682 . 1 1 54 54 LYS CE C 13 41.942 . . 1 . . . . 54 LYS CE . 6173 1 683 . 1 1 54 54 LYS N N 15 120.463 . . 1 . . . . 54 LYS N . 6173 1 684 . 1 1 55 55 GLY H H 1 9.217 . . 1 . . . . 55 GLY H . 6173 1 685 . 1 1 55 55 GLY HA2 H 1 4.347 . . 2 . . . . 55 GLY HA2 . 6173 1 686 . 1 1 55 55 GLY HA3 H 1 1.960 . . 2 . . . . 55 GLY HA3 . 6173 1 687 . 1 1 55 55 GLY C C 13 172.400 . . 1 . . . . 55 GLY C . 6173 1 688 . 1 1 55 55 GLY CA C 13 43.890 . . 1 . . . . 55 GLY CA . 6173 1 689 . 1 1 55 55 GLY N N 15 114.284 . . 1 . . . . 55 GLY N . 6173 1 690 . 1 1 56 56 LYS H H 1 8.015 . . 1 . . . . 56 LYS H . 6173 1 691 . 1 1 56 56 LYS HA H 1 5.145 . . 1 . . . . 56 LYS HA . 6173 1 692 . 1 1 56 56 LYS HB2 H 1 1.559 . . 1 . . . . 56 LYS HB2 . 6173 1 693 . 1 1 56 56 LYS HB3 H 1 1.559 . . 1 . . . . 56 LYS HB3 . 6173 1 694 . 1 1 56 56 LYS HG2 H 1 1.217 . . 1 . . . . 56 LYS HG2 . 6173 1 695 . 1 1 56 56 LYS HG3 H 1 1.217 . . 1 . . . . 56 LYS HG3 . 6173 1 696 . 1 1 56 56 LYS HD2 H 1 1.630 . . 1 . . . . 56 LYS HD2 . 6173 1 697 . 1 1 56 56 LYS HD3 H 1 1.630 . . 1 . . . . 56 LYS HD3 . 6173 1 698 . 1 1 56 56 LYS HE2 H 1 2.920 . . 1 . . . . 56 LYS HE2 . 6173 1 699 . 1 1 56 56 LYS HE3 H 1 2.920 . . 1 . . . . 56 LYS HE3 . 6173 1 700 . 1 1 56 56 LYS C C 13 176.000 . . 1 . . . . 56 LYS C . 6173 1 701 . 1 1 56 56 LYS CA C 13 54.614 . . 1 . . . . 56 LYS CA . 6173 1 702 . 1 1 56 56 LYS CB C 13 36.639 . . 1 . . . . 56 LYS CB . 6173 1 703 . 1 1 56 56 LYS CG C 13 24.623 . . 1 . . . . 56 LYS CG . 6173 1 704 . 1 1 56 56 LYS CD C 13 29.412 . . 1 . . . . 56 LYS CD . 6173 1 705 . 1 1 56 56 LYS CE C 13 41.559 . . 1 . . . . 56 LYS CE . 6173 1 706 . 1 1 56 56 LYS N N 15 118.868 . . 1 . . . . 56 LYS N . 6173 1 707 . 1 1 57 57 ILE H H 1 8.693 . . 1 . . . . 57 ILE H . 6173 1 708 . 1 1 57 57 ILE HA H 1 4.149 . . 1 . . . . 57 ILE HA . 6173 1 709 . 1 1 57 57 ILE HB H 1 2.176 . . 1 . . . . 57 ILE HB . 6173 1 710 . 1 1 57 57 ILE HG12 H 1 1.653 . . 1 . . . . 57 ILE HG12 . 6173 1 711 . 1 1 57 57 ILE HG13 H 1 1.653 . . 1 . . . . 57 ILE HG13 . 6173 1 712 . 1 1 57 57 ILE HG21 H 1 0.768 . . 1 . . . . 57 ILE HG2 . 6173 1 713 . 1 1 57 57 ILE HG22 H 1 0.768 . . 1 . . . . 57 ILE HG2 . 6173 1 714 . 1 1 57 57 ILE HG23 H 1 0.768 . . 1 . . . . 57 ILE HG2 . 6173 1 715 . 1 1 57 57 ILE HD11 H 1 0.788 . . 1 . . . . 57 ILE HD1 . 6173 1 716 . 1 1 57 57 ILE HD12 H 1 0.788 . . 1 . . . . 57 ILE HD1 . 6173 1 717 . 1 1 57 57 ILE HD13 H 1 0.788 . . 1 . . . . 57 ILE HD1 . 6173 1 718 . 1 1 57 57 ILE C C 13 177.200 . . 1 . . . . 57 ILE C . 6173 1 719 . 1 1 57 57 ILE CA C 13 62.915 . . 1 . . . . 57 ILE CA . 6173 1 720 . 1 1 57 57 ILE CB C 13 36.286 . . 1 . . . . 57 ILE CB . 6173 1 721 . 1 1 57 57 ILE CG1 C 13 28.942 . . 1 . . . . 57 ILE CG1 . 6173 1 722 . 1 1 57 57 ILE CG2 C 13 18.136 . . 1 . . . . 57 ILE CG2 . 6173 1 723 . 1 1 57 57 ILE CD1 C 13 14.463 . . 1 . . . . 57 ILE CD1 . 6173 1 724 . 1 1 57 57 ILE N N 15 124.413 . . 1 . . . . 57 ILE N . 6173 1 725 . 1 1 58 58 VAL H H 1 8.931 . . 1 . . . . 58 VAL H . 6173 1 726 . 1 1 58 58 VAL HA H 1 4.652 . . 1 . . . . 58 VAL HA . 6173 1 727 . 1 1 58 58 VAL HB H 1 2.298 . . 1 . . . . 58 VAL HB . 6173 1 728 . 1 1 58 58 VAL HG11 H 1 0.976 . . 1 . . . . 58 VAL HG1 . 6173 1 729 . 1 1 58 58 VAL HG12 H 1 0.976 . . 1 . . . . 58 VAL HG1 . 6173 1 730 . 1 1 58 58 VAL HG13 H 1 0.976 . . 1 . . . . 58 VAL HG1 . 6173 1 731 . 1 1 58 58 VAL HG21 H 1 0.880 . . 1 . . . . 58 VAL HG2 . 6173 1 732 . 1 1 58 58 VAL HG22 H 1 0.880 . . 1 . . . . 58 VAL HG2 . 6173 1 733 . 1 1 58 58 VAL HG23 H 1 0.880 . . 1 . . . . 58 VAL HG2 . 6173 1 734 . 1 1 58 58 VAL C C 13 175.500 . . 1 . . . . 58 VAL C . 6173 1 735 . 1 1 58 58 VAL CA C 13 62.104 . . 1 . . . . 58 VAL CA . 6173 1 736 . 1 1 58 58 VAL CB C 13 34.118 . . 1 . . . . 58 VAL CB . 6173 1 737 . 1 1 58 58 VAL CG1 C 13 22.114 . . 1 . . . . 58 VAL CG1 . 6173 1 738 . 1 1 58 58 VAL CG2 C 13 18.766 . . 1 . . . . 58 VAL CG2 . 6173 1 739 . 1 1 58 58 VAL N N 15 122.666 . . 1 . . . . 58 VAL N . 6173 1 740 . 1 1 59 59 ARG H H 1 7.628 . . 1 . . . . 59 ARG H . 6173 1 741 . 1 1 59 59 ARG HA H 1 4.667 . . 1 . . . . 59 ARG HA . 6173 1 742 . 1 1 59 59 ARG HB2 H 1 1.995 . . 2 . . . . 59 ARG HB2 . 6173 1 743 . 1 1 59 59 ARG HB3 H 1 1.869 . . 2 . . . . 59 ARG HB3 . 6173 1 744 . 1 1 59 59 ARG HG2 H 1 1.696 . . 2 . . . . 59 ARG HG2 . 6173 1 745 . 1 1 59 59 ARG HG3 H 1 1.882 . . 2 . . . . 59 ARG HG3 . 6173 1 746 . 1 1 59 59 ARG HD2 H 1 3.264 . . 1 . . . . 59 ARG HD2 . 6173 1 747 . 1 1 59 59 ARG HD3 H 1 3.264 . . 1 . . . . 59 ARG HD3 . 6173 1 748 . 1 1 59 59 ARG C C 13 175.000 . . 1 . . . . 59 ARG C . 6173 1 749 . 1 1 59 59 ARG CA C 13 55.579 . . 1 . . . . 59 ARG CA . 6173 1 750 . 1 1 59 59 ARG CB C 13 34.890 . . 1 . . . . 59 ARG CB . 6173 1 751 . 1 1 59 59 ARG CG C 13 27.092 . . 1 . . . . 59 ARG CG . 6173 1 752 . 1 1 59 59 ARG CD C 13 43.755 . . 1 . . . . 59 ARG CD . 6173 1 753 . 1 1 59 59 ARG N N 15 117.696 . . 1 . . . . 59 ARG N . 6173 1 754 . 1 1 60 60 VAL H H 1 8.647 . . 1 . . . . 60 VAL H . 6173 1 755 . 1 1 60 60 VAL HA H 1 4.405 . . 1 . . . . 60 VAL HA . 6173 1 756 . 1 1 60 60 VAL HB H 1 2.284 . . 1 . . . . 60 VAL HB . 6173 1 757 . 1 1 60 60 VAL HG11 H 1 1.017 . . 1 . . . . 60 VAL HG1 . 6173 1 758 . 1 1 60 60 VAL HG12 H 1 1.017 . . 1 . . . . 60 VAL HG1 . 6173 1 759 . 1 1 60 60 VAL HG13 H 1 1.017 . . 1 . . . . 60 VAL HG1 . 6173 1 760 . 1 1 60 60 VAL HG21 H 1 0.942 . . 1 . . . . 60 VAL HG2 . 6173 1 761 . 1 1 60 60 VAL HG22 H 1 0.942 . . 1 . . . . 60 VAL HG2 . 6173 1 762 . 1 1 60 60 VAL HG23 H 1 0.942 . . 1 . . . . 60 VAL HG2 . 6173 1 763 . 1 1 60 60 VAL C C 13 173.700 . . 1 . . . . 60 VAL C . 6173 1 764 . 1 1 60 60 VAL CA C 13 63.124 . . 1 . . . . 60 VAL CA . 6173 1 765 . 1 1 60 60 VAL CB C 13 32.087 . . 1 . . . . 60 VAL CB . 6173 1 766 . 1 1 60 60 VAL CG1 C 13 22.524 . . 1 . . . . 60 VAL CG1 . 6173 1 767 . 1 1 60 60 VAL CG2 C 13 19.324 . . 1 . . . . 60 VAL CG2 . 6173 1 768 . 1 1 60 60 VAL N N 15 117.604 . . 1 . . . . 60 VAL N . 6173 1 769 . 1 1 61 61 HIS H H 1 8.397 . . 1 . . . . 61 HIS H . 6173 1 770 . 1 1 61 61 HIS HA H 1 4.796 . . 1 . . . . 61 HIS HA . 6173 1 771 . 1 1 61 61 HIS HB2 H 1 2.723 . . 2 . . . . 61 HIS HB2 . 6173 1 772 . 1 1 61 61 HIS HB3 H 1 2.401 . . 2 . . . . 61 HIS HB3 . 6173 1 773 . 1 1 61 61 HIS C C 13 174.200 . . 1 . . . . 61 HIS C . 6173 1 774 . 1 1 61 61 HIS CA C 13 55.883 . . 1 . . . . 61 HIS CA . 6173 1 775 . 1 1 61 61 HIS CB C 13 33.995 . . 1 . . . . 61 HIS CB . 6173 1 776 . 1 1 61 61 HIS N N 15 124.046 . . 1 . . . . 61 HIS N . 6173 1 777 . 1 1 62 62 GLY H H 1 8.619 . . 1 . . . . 62 GLY H . 6173 1 778 . 1 1 62 62 GLY HA2 H 1 4.014 . . 2 . . . . 62 GLY HA2 . 6173 1 779 . 1 1 62 62 GLY HA3 H 1 3.771 . . 2 . . . . 62 GLY HA3 . 6173 1 780 . 1 1 62 62 GLY C C 13 176.300 . . 1 . . . . 62 GLY C . 6173 1 781 . 1 1 62 62 GLY CA C 13 45.006 . . 1 . . . . 62 GLY CA . 6173 1 782 . 1 1 62 62 GLY N N 15 114.965 . . 1 . . . . 62 GLY N . 6173 1 783 . 1 1 63 63 THR H H 1 8.945 . . 1 . . . . 63 THR H . 6173 1 784 . 1 1 63 63 THR HA H 1 4.533 . . 1 . . . . 63 THR HA . 6173 1 785 . 1 1 63 63 THR HB H 1 4.648 . . 1 . . . . 63 THR HB . 6173 1 786 . 1 1 63 63 THR HG21 H 1 1.133 . . 1 . . . . 63 THR HG2 . 6173 1 787 . 1 1 63 63 THR HG22 H 1 1.133 . . 1 . . . . 63 THR HG2 . 6173 1 788 . 1 1 63 63 THR HG23 H 1 1.133 . . 1 . . . . 63 THR HG2 . 6173 1 789 . 1 1 63 63 THR C C 13 175.200 . . 1 . . . . 63 THR C . 6173 1 790 . 1 1 63 63 THR CA C 13 61.793 . . 1 . . . . 63 THR CA . 6173 1 791 . 1 1 63 63 THR CB C 13 69.548 . . 1 . . . . 63 THR CB . 6173 1 792 . 1 1 63 63 THR CG2 C 13 21.741 . . 1 . . . . 63 THR CG2 . 6173 1 793 . 1 1 63 63 THR N N 15 111.112 . . 1 . . . . 63 THR N . 6173 1 794 . 1 1 64 64 LYS H H 1 9.133 . . 1 . . . . 64 LYS H . 6173 1 795 . 1 1 64 64 LYS HA H 1 4.588 . . 1 . . . . 64 LYS HA . 6173 1 796 . 1 1 64 64 LYS HB2 H 1 2.171 . . 2 . . . . 64 LYS HB2 . 6173 1 797 . 1 1 64 64 LYS HB3 H 1 1.669 . . 2 . . . . 64 LYS HB3 . 6173 1 798 . 1 1 64 64 LYS HG2 H 1 1.532 . . 2 . . . . 64 LYS HG2 . 6173 1 799 . 1 1 64 64 LYS HG3 H 1 1.390 . . 2 . . . . 64 LYS HG3 . 6173 1 800 . 1 1 64 64 LYS HD2 H 1 1.709 . . 1 . . . . 64 LYS HD2 . 6173 1 801 . 1 1 64 64 LYS HD3 H 1 1.709 . . 1 . . . . 64 LYS HD3 . 6173 1 802 . 1 1 64 64 LYS C C 13 175.500 . . 1 . . . . 64 LYS C . 6173 1 803 . 1 1 64 64 LYS CA C 13 55.231 . . 1 . . . . 64 LYS CA . 6173 1 804 . 1 1 64 64 LYS CB C 13 32.452 . . 1 . . . . 64 LYS CB . 6173 1 805 . 1 1 64 64 LYS CG C 13 24.768 . . 1 . . . . 64 LYS CG . 6173 1 806 . 1 1 64 64 LYS CD C 13 28.732 . . 1 . . . . 64 LYS CD . 6173 1 807 . 1 1 64 64 LYS N N 15 122.500 . . 1 . . . . 64 LYS N . 6173 1 808 . 1 1 65 65 GLY H H 1 7.987 . . 1 . . . . 65 GLY H . 6173 1 809 . 1 1 65 65 GLY HA2 H 1 4.500 . . 2 . . . . 65 GLY HA2 . 6173 1 810 . 1 1 65 65 GLY HA3 H 1 3.135 . . 2 . . . . 65 GLY HA3 . 6173 1 811 . 1 1 65 65 GLY C C 13 171.300 . . 1 . . . . 65 GLY C . 6173 1 812 . 1 1 65 65 GLY CA C 13 44.920 . . 1 . . . . 65 GLY CA . 6173 1 813 . 1 1 65 65 GLY N N 15 106.884 . . 1 . . . . 65 GLY N . 6173 1 814 . 1 1 66 66 ALA H H 1 7.671 . . 1 . . . . 66 ALA H . 6173 1 815 . 1 1 66 66 ALA HA H 1 4.911 . . 1 . . . . 66 ALA HA . 6173 1 816 . 1 1 66 66 ALA HB1 H 1 1.522 . . 1 . . . . 66 ALA HB . 6173 1 817 . 1 1 66 66 ALA HB2 H 1 1.522 . . 1 . . . . 66 ALA HB . 6173 1 818 . 1 1 66 66 ALA HB3 H 1 1.522 . . 1 . . . . 66 ALA HB . 6173 1 819 . 1 1 66 66 ALA C C 13 177.400 . . 1 . . . . 66 ALA C . 6173 1 820 . 1 1 66 66 ALA CA C 13 52.232 . . 1 . . . . 66 ALA CA . 6173 1 821 . 1 1 66 66 ALA CB C 13 18.719 . . 1 . . . . 66 ALA CB . 6173 1 822 . 1 1 66 66 ALA N N 15 115.951 . . 1 . . . . 66 ALA N . 6173 1 823 . 1 1 67 67 VAL H H 1 8.951 . . 1 . . . . 67 VAL H . 6173 1 824 . 1 1 67 67 VAL HA H 1 4.875 . . 1 . . . . 67 VAL HA . 6173 1 825 . 1 1 67 67 VAL HB H 1 2.262 . . 1 . . . . 67 VAL HB . 6173 1 826 . 1 1 67 67 VAL HG11 H 1 0.966 . . 1 . . . . 67 VAL HG1 . 6173 1 827 . 1 1 67 67 VAL HG12 H 1 0.966 . . 1 . . . . 67 VAL HG1 . 6173 1 828 . 1 1 67 67 VAL HG13 H 1 0.966 . . 1 . . . . 67 VAL HG1 . 6173 1 829 . 1 1 67 67 VAL HG21 H 1 0.697 . . 1 . . . . 67 VAL HG2 . 6173 1 830 . 1 1 67 67 VAL HG22 H 1 0.697 . . 1 . . . . 67 VAL HG2 . 6173 1 831 . 1 1 67 67 VAL HG23 H 1 0.697 . . 1 . . . . 67 VAL HG2 . 6173 1 832 . 1 1 67 67 VAL C C 13 173.400 . . 1 . . . . 67 VAL C . 6173 1 833 . 1 1 67 67 VAL CA C 13 59.368 . . 1 . . . . 67 VAL CA . 6173 1 834 . 1 1 67 67 VAL CB C 13 36.262 . . 1 . . . . 67 VAL CB . 6173 1 835 . 1 1 67 67 VAL CG1 C 13 23.209 . . 1 . . . . 67 VAL CG1 . 6173 1 836 . 1 1 67 67 VAL CG2 C 13 17.953 . . 1 . . . . 67 VAL CG2 . 6173 1 837 . 1 1 67 67 VAL N N 15 108.601 . . 1 . . . . 67 VAL N . 6173 1 838 . 1 1 68 68 ARG H H 1 9.043 . . 1 . . . . 68 ARG H . 6173 1 839 . 1 1 68 68 ARG HA H 1 5.179 . . 1 . . . . 68 ARG HA . 6173 1 840 . 1 1 68 68 ARG HB2 H 1 1.530 . . 2 . . . . 68 ARG HB2 . 6173 1 841 . 1 1 68 68 ARG HB3 H 1 1.624 . . 2 . . . . 68 ARG HB3 . 6173 1 842 . 1 1 68 68 ARG HG2 H 1 1.312 . . 2 . . . . 68 ARG HG2 . 6173 1 843 . 1 1 68 68 ARG HG3 H 1 1.528 . . 2 . . . . 68 ARG HG3 . 6173 1 844 . 1 1 68 68 ARG HD2 H 1 3.039 . . 2 . . . . 68 ARG HD2 . 6173 1 845 . 1 1 68 68 ARG HD3 H 1 3.018 . . 2 . . . . 68 ARG HD3 . 6173 1 846 . 1 1 68 68 ARG C C 13 175.000 . . 1 . . . . 68 ARG C . 6173 1 847 . 1 1 68 68 ARG CA C 13 54.632 . . 1 . . . . 68 ARG CA . 6173 1 848 . 1 1 68 68 ARG CB C 13 32.597 . . 1 . . . . 68 ARG CB . 6173 1 849 . 1 1 68 68 ARG CG C 13 28.466 . . 1 . . . . 68 ARG CG . 6173 1 850 . 1 1 68 68 ARG CD C 13 44.516 . . 1 . . . . 68 ARG CD . 6173 1 851 . 1 1 68 68 ARG N N 15 118.441 . . 1 . . . . 68 ARG N . 6173 1 852 . 1 1 69 69 ALA H H 1 9.561 . . 1 . . . . 69 ALA H . 6173 1 853 . 1 1 69 69 ALA HA H 1 5.409 . . 1 . . . . 69 ALA HA . 6173 1 854 . 1 1 69 69 ALA HB1 H 1 1.054 . . 1 . . . . 69 ALA HB . 6173 1 855 . 1 1 69 69 ALA HB2 H 1 1.054 . . 1 . . . . 69 ALA HB . 6173 1 856 . 1 1 69 69 ALA HB3 H 1 1.054 . . 1 . . . . 69 ALA HB . 6173 1 857 . 1 1 69 69 ALA C C 13 174.400 . . 1 . . . . 69 ALA C . 6173 1 858 . 1 1 69 69 ALA CA C 13 49.830 . . 1 . . . . 69 ALA CA . 6173 1 859 . 1 1 69 69 ALA CB C 13 23.932 . . 1 . . . . 69 ALA CB . 6173 1 860 . 1 1 69 69 ALA N N 15 126.495 . . 1 . . . . 69 ALA N . 6173 1 861 . 1 1 70 70 ARG H H 1 8.692 . . 1 . . . . 70 ARG H . 6173 1 862 . 1 1 70 70 ARG HA H 1 5.169 . . 1 . . . . 70 ARG HA . 6173 1 863 . 1 1 70 70 ARG HB2 H 1 1.722 . . 2 . . . . 70 ARG HB2 . 6173 1 864 . 1 1 70 70 ARG HB3 H 1 1.685 . . 2 . . . . 70 ARG HB3 . 6173 1 865 . 1 1 70 70 ARG HG2 H 1 1.493 . . 2 . . . . 70 ARG HG2 . 6173 1 866 . 1 1 70 70 ARG HG3 H 1 1.621 . . 2 . . . . 70 ARG HG3 . 6173 1 867 . 1 1 70 70 ARG HD2 H 1 3.203 . . 1 . . . . 70 ARG HD2 . 6173 1 868 . 1 1 70 70 ARG HD3 H 1 3.203 . . 1 . . . . 70 ARG HD3 . 6173 1 869 . 1 1 70 70 ARG C C 13 175.700 . . 1 . . . . 70 ARG C . 6173 1 870 . 1 1 70 70 ARG CA C 13 55.090 . . 1 . . . . 70 ARG CA . 6173 1 871 . 1 1 70 70 ARG CB C 13 33.544 . . 1 . . . . 70 ARG CB . 6173 1 872 . 1 1 70 70 ARG CG C 13 27.813 . . 1 . . . . 70 ARG CG . 6173 1 873 . 1 1 70 70 ARG CD C 13 43.602 . . 1 . . . . 70 ARG CD . 6173 1 874 . 1 1 70 70 ARG N N 15 122.321 . . 1 . . . . 70 ARG N . 6173 1 875 . 1 1 71 71 PHE H H 1 9.442 . . 1 . . . . 71 PHE H . 6173 1 876 . 1 1 71 71 PHE HA H 1 4.859 . . 1 . . . . 71 PHE HA . 6173 1 877 . 1 1 71 71 PHE HB2 H 1 3.259 . . 2 . . . . 71 PHE HB2 . 6173 1 878 . 1 1 71 71 PHE HB3 H 1 2.973 . . 2 . . . . 71 PHE HB3 . 6173 1 879 . 1 1 71 71 PHE C C 13 175.700 . . 1 . . . . 71 PHE C . 6173 1 880 . 1 1 71 71 PHE CA C 13 57.465 . . 1 . . . . 71 PHE CA . 6173 1 881 . 1 1 71 71 PHE CB C 13 41.819 . . 1 . . . . 71 PHE CB . 6173 1 882 . 1 1 71 71 PHE N N 15 128.794 . . 1 . . . . 71 PHE N . 6173 1 883 . 1 1 72 72 GLU H H 1 8.968 . . 1 . . . . 72 GLU H . 6173 1 884 . 1 1 72 72 GLU HA H 1 4.242 . . 1 . . . . 72 GLU HA . 6173 1 885 . 1 1 72 72 GLU HB2 H 1 2.208 . . 1 . . . . 72 GLU HB2 . 6173 1 886 . 1 1 72 72 GLU HB3 H 1 2.208 . . 1 . . . . 72 GLU HB3 . 6173 1 887 . 1 1 72 72 GLU HG2 H 1 2.441 . . 1 . . . . 72 GLU HG2 . 6173 1 888 . 1 1 72 72 GLU HG3 H 1 2.441 . . 1 . . . . 72 GLU HG3 . 6173 1 889 . 1 1 72 72 GLU C C 13 176.500 . . 1 . . . . 72 GLU C . 6173 1 890 . 1 1 72 72 GLU CA C 13 58.604 . . 1 . . . . 72 GLU CA . 6173 1 891 . 1 1 72 72 GLU CB C 13 30.263 . . 1 . . . . 72 GLU CB . 6173 1 892 . 1 1 72 72 GLU CG C 13 36.515 . . 1 . . . . 72 GLU CG . 6173 1 893 . 1 1 72 72 GLU N N 15 121.197 . . 1 . . . . 72 GLU N . 6173 1 894 . 1 1 73 73 LYS H H 1 8.123 . . 1 . . . . 73 LYS H . 6173 1 895 . 1 1 73 73 LYS HA H 1 4.514 . . 1 . . . . 73 LYS HA . 6173 1 896 . 1 1 73 73 LYS HB2 H 1 1.996 . . 2 . . . . 73 LYS HB2 . 6173 1 897 . 1 1 73 73 LYS HB3 H 1 1.836 . . 2 . . . . 73 LYS HB3 . 6173 1 898 . 1 1 73 73 LYS HG2 H 1 1.503 . . 2 . . . . 73 LYS HG2 . 6173 1 899 . 1 1 73 73 LYS HG3 H 1 1.522 . . 2 . . . . 73 LYS HG3 . 6173 1 900 . 1 1 73 73 LYS HD2 H 1 1.773 . . 2 . . . . 73 LYS HD2 . 6173 1 901 . 1 1 73 73 LYS HD3 H 1 1.703 . . 2 . . . . 73 LYS HD3 . 6173 1 902 . 1 1 73 73 LYS HE2 H 1 3.061 . . 1 . . . . 73 LYS HE2 . 6173 1 903 . 1 1 73 73 LYS HE3 H 1 3.061 . . 1 . . . . 73 LYS HE3 . 6173 1 904 . 1 1 73 73 LYS C C 13 175.300 . . 1 . . . . 73 LYS C . 6173 1 905 . 1 1 73 73 LYS CA C 13 54.839 . . 1 . . . . 73 LYS CA . 6173 1 906 . 1 1 73 73 LYS CB C 13 34.555 . . 1 . . . . 73 LYS CB . 6173 1 907 . 1 1 73 73 LYS CG C 13 24.907 . . 1 . . . . 73 LYS CG . 6173 1 908 . 1 1 73 73 LYS CD C 13 29.197 . . 1 . . . . 73 LYS CD . 6173 1 909 . 1 1 73 73 LYS CE C 13 42.365 . . 1 . . . . 73 LYS CE . 6173 1 910 . 1 1 73 73 LYS N N 15 117.266 . . 1 . . . . 73 LYS N . 6173 1 911 . 1 1 74 74 GLY H H 1 8.138 . . 1 . . . . 74 GLY H . 6173 1 912 . 1 1 74 74 GLY HA2 H 1 3.733 . . 2 . . . . 74 GLY HA2 . 6173 1 913 . 1 1 74 74 GLY HA3 H 1 3.734 . . 2 . . . . 74 GLY HA3 . 6173 1 914 . 1 1 74 74 GLY C C 13 173.300 . . 1 . . . . 74 GLY C . 6173 1 915 . 1 1 74 74 GLY CA C 13 45.289 . . 1 . . . . 74 GLY CA . 6173 1 916 . 1 1 74 74 GLY N N 15 105.973 . . 1 . . . . 74 GLY N . 6173 1 917 . 1 1 75 75 LEU H H 1 7.924 . . 1 . . . . 75 LEU H . 6173 1 918 . 1 1 75 75 LEU HA H 1 4.337 . . 1 . . . . 75 LEU HA . 6173 1 919 . 1 1 75 75 LEU HB2 H 1 1.091 . . 2 . . . . 75 LEU HB2 . 6173 1 920 . 1 1 75 75 LEU HB3 H 1 0.765 . . 2 . . . . 75 LEU HB3 . 6173 1 921 . 1 1 75 75 LEU HG H 1 0.967 . . 1 . . . . 75 LEU HG . 6173 1 922 . 1 1 75 75 LEU HD11 H 1 -0.115 . . 1 . . . . 75 LEU HD1 . 6173 1 923 . 1 1 75 75 LEU HD12 H 1 -0.115 . . 1 . . . . 75 LEU HD1 . 6173 1 924 . 1 1 75 75 LEU HD13 H 1 -0.115 . . 1 . . . . 75 LEU HD1 . 6173 1 925 . 1 1 75 75 LEU HD21 H 1 0.045 . . 1 . . . . 75 LEU HD2 . 6173 1 926 . 1 1 75 75 LEU HD22 H 1 0.045 . . 1 . . . . 75 LEU HD2 . 6173 1 927 . 1 1 75 75 LEU HD23 H 1 0.045 . . 1 . . . . 75 LEU HD2 . 6173 1 928 . 1 1 75 75 LEU CA C 13 52.387 . . 1 . . . . 75 LEU CA . 6173 1 929 . 1 1 75 75 LEU CB C 13 41.391 . . 1 . . . . 75 LEU CB . 6173 1 930 . 1 1 75 75 LEU CG C 13 27.154 . . 1 . . . . 75 LEU CG . 6173 1 931 . 1 1 75 75 LEU CD1 C 13 24.465 . . 1 . . . . 75 LEU CD1 . 6173 1 932 . 1 1 75 75 LEU CD2 C 13 23.345 . . 1 . . . . 75 LEU CD2 . 6173 1 933 . 1 1 75 75 LEU N N 15 122.540 . . 1 . . . . 75 LEU N . 6173 1 934 . 1 1 76 76 PRO HA H 1 4.527 . . 1 . . . . 76 PRO HA . 6173 1 935 . 1 1 76 76 PRO HB2 H 1 2.120 . . 1 . . . . 76 PRO HB2 . 6173 1 936 . 1 1 76 76 PRO HB3 H 1 2.120 . . 1 . . . . 76 PRO HB3 . 6173 1 937 . 1 1 76 76 PRO HG2 H 1 2.178 . . 2 . . . . 76 PRO HG2 . 6173 1 938 . 1 1 76 76 PRO HG3 H 1 1.911 . . 2 . . . . 76 PRO HG3 . 6173 1 939 . 1 1 76 76 PRO HD2 H 1 3.727 . . 2 . . . . 76 PRO HD2 . 6173 1 940 . 1 1 76 76 PRO HD3 H 1 3.233 . . 2 . . . . 76 PRO HD3 . 6173 1 941 . 1 1 76 76 PRO C C 13 176.700 . . 1 . . . . 76 PRO C . 6173 1 942 . 1 1 76 76 PRO CA C 13 62.467 . . 1 . . . . 76 PRO CA . 6173 1 943 . 1 1 76 76 PRO CB C 13 32.055 . . 1 . . . . 76 PRO CB . 6173 1 944 . 1 1 76 76 PRO CG C 13 27.436 . . 1 . . . . 76 PRO CG . 6173 1 945 . 1 1 76 76 PRO CD C 13 50.222 . . 1 . . . . 76 PRO CD . 6173 1 946 . 1 1 77 77 GLY H H 1 8.346 . . 1 . . . . 77 GLY H . 6173 1 947 . 1 1 77 77 GLY HA2 H 1 3.912 . . 2 . . . . 77 GLY HA2 . 6173 1 948 . 1 1 77 77 GLY HA3 H 1 3.836 . . 2 . . . . 77 GLY HA3 . 6173 1 949 . 1 1 77 77 GLY C C 13 174.900 . . 1 . . . . 77 GLY C . 6173 1 950 . 1 1 77 77 GLY CA C 13 46.447 . . 1 . . . . 77 GLY CA . 6173 1 951 . 1 1 77 77 GLY N N 15 107.966 . . 1 . . . . 77 GLY N . 6173 1 952 . 1 1 78 78 GLN H H 1 8.226 . . 1 . . . . 78 GLN H . 6173 1 953 . 1 1 78 78 GLN HA H 1 4.244 . . 1 . . . . 78 GLN HA . 6173 1 954 . 1 1 78 78 GLN HB2 H 1 2.130 . . 2 . . . . 78 GLN HB2 . 6173 1 955 . 1 1 78 78 GLN HB3 H 1 2.062 . . 2 . . . . 78 GLN HB3 . 6173 1 956 . 1 1 78 78 GLN HG2 H 1 2.401 . . 1 . . . . 78 GLN HG2 . 6173 1 957 . 1 1 78 78 GLN HG3 H 1 2.401 . . 1 . . . . 78 GLN HG3 . 6173 1 958 . 1 1 78 78 GLN HE21 H 1 7.598 . . 1 . . . . 78 GLN HE21 . 6173 1 959 . 1 1 78 78 GLN HE22 H 1 6.917 . . 1 . . . . 78 GLN HE22 . 6173 1 960 . 1 1 78 78 GLN C C 13 175.500 . . 1 . . . . 78 GLN C . 6173 1 961 . 1 1 78 78 GLN CA C 13 57.091 . . 1 . . . . 78 GLN CA . 6173 1 962 . 1 1 78 78 GLN CB C 13 28.933 . . 1 . . . . 78 GLN CB . 6173 1 963 . 1 1 78 78 GLN CG C 13 34.254 . . 1 . . . . 78 GLN CG . 6173 1 964 . 1 1 78 78 GLN N N 15 118.286 . . 1 . . . . 78 GLN N . 6173 1 965 . 1 1 78 78 GLN NE2 N 15 112.2 . . 1 . . . . 78 GLN NE2 . 6173 1 966 . 1 1 79 79 ALA H H 1 7.890 . . 1 . . . . 79 ALA H . 6173 1 967 . 1 1 79 79 ALA HA H 1 4.211 . . 1 . . . . 79 ALA HA . 6173 1 968 . 1 1 79 79 ALA HB1 H 1 0.491 . . 1 . . . . 79 ALA HB . 6173 1 969 . 1 1 79 79 ALA HB2 H 1 0.491 . . 1 . . . . 79 ALA HB . 6173 1 970 . 1 1 79 79 ALA HB3 H 1 0.491 . . 1 . . . . 79 ALA HB . 6173 1 971 . 1 1 79 79 ALA C C 13 177.100 . . 1 . . . . 79 ALA C . 6173 1 972 . 1 1 79 79 ALA CA C 13 52.573 . . 1 . . . . 79 ALA CA . 6173 1 973 . 1 1 79 79 ALA CB C 13 19.067 . . 1 . . . . 79 ALA CB . 6173 1 974 . 1 1 79 79 ALA N N 15 122.012 . . 1 . . . . 79 ALA N . 6173 1 975 . 1 1 80 80 LEU H H 1 7.340 . . 1 . . . . 80 LEU H . 6173 1 976 . 1 1 80 80 LEU HA H 1 3.548 . . 1 . . . . 80 LEU HA . 6173 1 977 . 1 1 80 80 LEU HB2 H 1 1.675 . . 2 . . . . 80 LEU HB2 . 6173 1 978 . 1 1 80 80 LEU HB3 H 1 1.366 . . 2 . . . . 80 LEU HB3 . 6173 1 979 . 1 1 80 80 LEU HG H 1 1.519 . . 1 . . . . 80 LEU HG . 6173 1 980 . 1 1 80 80 LEU HD11 H 1 0.864 . . 1 . . . . 80 LEU HD1 . 6173 1 981 . 1 1 80 80 LEU HD12 H 1 0.864 . . 1 . . . . 80 LEU HD1 . 6173 1 982 . 1 1 80 80 LEU HD13 H 1 0.864 . . 1 . . . . 80 LEU HD1 . 6173 1 983 . 1 1 80 80 LEU HD21 H 1 0.552 . . 1 . . . . 80 LEU HD2 . 6173 1 984 . 1 1 80 80 LEU HD22 H 1 0.552 . . 1 . . . . 80 LEU HD2 . 6173 1 985 . 1 1 80 80 LEU HD23 H 1 0.552 . . 1 . . . . 80 LEU HD2 . 6173 1 986 . 1 1 80 80 LEU C C 13 178.200 . . 1 . . . . 80 LEU C . 6173 1 987 . 1 1 80 80 LEU CA C 13 57.059 . . 1 . . . . 80 LEU CA . 6173 1 988 . 1 1 80 80 LEU CB C 13 41.010 . . 1 . . . . 80 LEU CB . 6173 1 989 . 1 1 80 80 LEU CG C 13 26.949 . . 1 . . . . 80 LEU CG . 6173 1 990 . 1 1 80 80 LEU CD1 C 13 25.050 . . 1 . . . . 80 LEU CD1 . 6173 1 991 . 1 1 80 80 LEU CD2 C 13 23.702 . . 1 . . . . 80 LEU CD2 . 6173 1 992 . 1 1 80 80 LEU N N 15 117.413 . . 1 . . . . 80 LEU N . 6173 1 993 . 1 1 81 81 GLY H H 1 8.704 . . 1 . . . . 81 GLY H . 6173 1 994 . 1 1 81 81 GLY HA2 H 1 3.477 . . 2 . . . . 81 GLY HA2 . 6173 1 995 . 1 1 81 81 GLY HA3 H 1 4.176 . . 2 . . . . 81 GLY HA3 . 6173 1 996 . 1 1 81 81 GLY C C 13 173.200 . . 1 . . . . 81 GLY C . 6173 1 997 . 1 1 81 81 GLY CA C 13 45.500 . . 1 . . . . 81 GLY CA . 6173 1 998 . 1 1 81 81 GLY N N 15 113.076 . . 1 . . . . 81 GLY N . 6173 1 999 . 1 1 82 82 ASP H H 1 8.092 . . 1 . . . . 82 ASP H . 6173 1 1000 . 1 1 82 82 ASP HA H 1 4.711 . . 1 . . . . 82 ASP HA . 6173 1 1001 . 1 1 82 82 ASP HB2 H 1 2.964 . . 1 . . . . 82 ASP HB2 . 6173 1 1002 . 1 1 82 82 ASP HB3 H 1 2.964 . . 1 . . . . 82 ASP HB3 . 6173 1 1003 . 1 1 82 82 ASP C C 13 175.400 . . 1 . . . . 82 ASP C . 6173 1 1004 . 1 1 82 82 ASP CA C 13 53.447 . . 1 . . . . 82 ASP CA . 6173 1 1005 . 1 1 82 82 ASP CB C 13 42.306 . . 1 . . . . 82 ASP CB . 6173 1 1006 . 1 1 82 82 ASP N N 15 120.648 . . 1 . . . . 82 ASP N . 6173 1 1007 . 1 1 83 83 TYR H H 1 8.637 . . 1 . . . . 83 TYR H . 6173 1 1008 . 1 1 83 83 TYR HA H 1 5.725 . . 1 . . . . 83 TYR HA . 6173 1 1009 . 1 1 83 83 TYR HB2 H 1 3.140 . . 2 . . . . 83 TYR HB2 . 6173 1 1010 . 1 1 83 83 TYR HB3 H 1 2.975 . . 2 . . . . 83 TYR HB3 . 6173 1 1011 . 1 1 83 83 TYR C C 13 176.800 . . 1 . . . . 83 TYR C . 6173 1 1012 . 1 1 83 83 TYR CA C 13 57.359 . . 1 . . . . 83 TYR CA . 6173 1 1013 . 1 1 83 83 TYR CB C 13 40.594 . . 1 . . . . 83 TYR CB . 6173 1 1014 . 1 1 83 83 TYR N N 15 117.015 . . 1 . . . . 83 TYR N . 6173 1 1015 . 1 1 84 84 VAL H H 1 8.747 . . 1 . . . . 84 VAL H . 6173 1 1016 . 1 1 84 84 VAL HA H 1 5.006 . . 1 . . . . 84 VAL HA . 6173 1 1017 . 1 1 84 84 VAL HB H 1 2.204 . . 1 . . . . 84 VAL HB . 6173 1 1018 . 1 1 84 84 VAL HG11 H 1 0.946 . . 1 . . . . 84 VAL HG1 . 6173 1 1019 . 1 1 84 84 VAL HG12 H 1 0.946 . . 1 . . . . 84 VAL HG1 . 6173 1 1020 . 1 1 84 84 VAL HG13 H 1 0.946 . . 1 . . . . 84 VAL HG1 . 6173 1 1021 . 1 1 84 84 VAL HG21 H 1 0.520 . . 1 . . . . 84 VAL HG2 . 6173 1 1022 . 1 1 84 84 VAL HG22 H 1 0.520 . . 1 . . . . 84 VAL HG2 . 6173 1 1023 . 1 1 84 84 VAL HG23 H 1 0.520 . . 1 . . . . 84 VAL HG2 . 6173 1 1024 . 1 1 84 84 VAL C C 13 175.200 . . 1 . . . . 84 VAL C . 6173 1 1025 . 1 1 84 84 VAL CA C 13 58.855 . . 1 . . . . 84 VAL CA . 6173 1 1026 . 1 1 84 84 VAL CB C 13 35.371 . . 1 . . . . 84 VAL CB . 6173 1 1027 . 1 1 84 84 VAL CG1 C 13 22.928 . . 1 . . . . 84 VAL CG1 . 6173 1 1028 . 1 1 84 84 VAL CG2 C 13 18.193 . . 1 . . . . 84 VAL CG2 . 6173 1 1029 . 1 1 84 84 VAL N N 15 111.283 . . 1 . . . . 84 VAL N . 6173 1 1030 . 1 1 85 85 GLU H H 1 8.384 . . 1 . . . . 85 GLU H . 6173 1 1031 . 1 1 85 85 GLU HA H 1 5.129 . . 1 . . . . 85 GLU HA . 6173 1 1032 . 1 1 85 85 GLU HB2 H 1 1.951 . . 2 . . . . 85 GLU HB2 . 6173 1 1033 . 1 1 85 85 GLU HB3 H 1 1.842 . . 2 . . . . 85 GLU HB3 . 6173 1 1034 . 1 1 85 85 GLU HG2 H 1 2.369 . . 2 . . . . 85 GLU HG2 . 6173 1 1035 . 1 1 85 85 GLU HG3 H 1 2.089 . . 2 . . . . 85 GLU HG3 . 6173 1 1036 . 1 1 85 85 GLU C C 13 174.900 . . 1 . . . . 85 GLU C . 6173 1 1037 . 1 1 85 85 GLU CA C 13 55.209 . . 1 . . . . 85 GLU CA . 6173 1 1038 . 1 1 85 85 GLU CB C 13 33.531 . . 1 . . . . 85 GLU CB . 6173 1 1039 . 1 1 85 85 GLU CG C 13 37.237 . . 1 . . . . 85 GLU CG . 6173 1 1040 . 1 1 85 85 GLU N N 15 118.476 . . 1 . . . . 85 GLU N . 6173 1 1041 . 1 1 86 86 ILE H H 1 9.344 . . 1 . . . . 86 ILE H . 6173 1 1042 . 1 1 86 86 ILE HA H 1 4.951 . . 1 . . . . 86 ILE HA . 6173 1 1043 . 1 1 86 86 ILE HB H 1 1.809 . . 1 . . . . 86 ILE HB . 6173 1 1044 . 1 1 86 86 ILE HG12 H 1 0.852 . . 2 . . . . 86 ILE HG12 . 6173 1 1045 . 1 1 86 86 ILE HG13 H 1 1.538 . . 2 . . . . 86 ILE HG13 . 6173 1 1046 . 1 1 86 86 ILE HG21 H 1 0.775 . . 1 . . . . 86 ILE HG2 . 6173 1 1047 . 1 1 86 86 ILE HG22 H 1 0.775 . . 1 . . . . 86 ILE HG2 . 6173 1 1048 . 1 1 86 86 ILE HG23 H 1 0.775 . . 1 . . . . 86 ILE HG2 . 6173 1 1049 . 1 1 86 86 ILE HD11 H 1 0.680 . . 1 . . . . 86 ILE HD1 . 6173 1 1050 . 1 1 86 86 ILE HD12 H 1 0.680 . . 1 . . . . 86 ILE HD1 . 6173 1 1051 . 1 1 86 86 ILE HD13 H 1 0.680 . . 1 . . . . 86 ILE HD1 . 6173 1 1052 . 1 1 86 86 ILE C C 13 176.000 . . 1 . . . . 86 ILE C . 6173 1 1053 . 1 1 86 86 ILE CA C 13 60.535 . . 1 . . . . 86 ILE CA . 6173 1 1054 . 1 1 86 86 ILE CB C 13 39.154 . . 1 . . . . 86 ILE CB . 6173 1 1055 . 1 1 86 86 ILE CG1 C 13 28.083 . . 1 . . . . 86 ILE CG1 . 6173 1 1056 . 1 1 86 86 ILE CG2 C 13 18.081 . . 1 . . . . 86 ILE CG2 . 6173 1 1057 . 1 1 86 86 ILE CD1 C 13 14.011 . . 1 . . . . 86 ILE CD1 . 6173 1 1058 . 1 1 86 86 ILE N N 15 124.495 . . 1 . . . . 86 ILE N . 6173 1 1059 . 1 1 87 87 VAL H H 1 9.037 . . 1 . . . . 87 VAL H . 6173 1 1060 . 1 1 87 87 VAL HA H 1 4.373 . . 1 . . . . 87 VAL HA . 6173 1 1061 . 1 1 87 87 VAL HB H 1 2.135 . . 1 . . . . 87 VAL HB . 6173 1 1062 . 1 1 87 87 VAL HG11 H 1 0.922 . . 2 . . . . 87 VAL HG1 . 6173 1 1063 . 1 1 87 87 VAL HG12 H 1 0.922 . . 2 . . . . 87 VAL HG1 . 6173 1 1064 . 1 1 87 87 VAL HG13 H 1 0.922 . . 2 . . . . 87 VAL HG1 . 6173 1 1065 . 1 1 87 87 VAL HG21 H 1 0.821 . . 2 . . . . 87 VAL HG2 . 6173 1 1066 . 1 1 87 87 VAL HG22 H 1 0.821 . . 2 . . . . 87 VAL HG2 . 6173 1 1067 . 1 1 87 87 VAL HG23 H 1 0.821 . . 2 . . . . 87 VAL HG2 . 6173 1 1068 . 1 1 87 87 VAL C C 13 175.000 . . 1 . . . . 87 VAL C . 6173 1 1069 . 1 1 87 87 VAL CA C 13 62.421 . . 1 . . . . 87 VAL CA . 6173 1 1070 . 1 1 87 87 VAL CB C 13 34.034 . . 1 . . . . 87 VAL CB . 6173 1 1071 . 1 1 87 87 VAL CG1 C 13 21.441 . . 2 . . . . 87 VAL CG1 . 6173 1 1072 . 1 1 87 87 VAL CG2 C 13 20.565 . . 2 . . . . 87 VAL CG2 . 6173 1 1073 . 1 1 87 87 VAL N N 15 127.350 . . 1 . . . . 87 VAL N . 6173 1 1074 . 1 1 88 88 LEU H H 1 8.505 . . 1 . . . . 88 LEU H . 6173 1 1075 . 1 1 88 88 LEU HA H 1 4.487 . . 1 . . . . 88 LEU HA . 6173 1 1076 . 1 1 88 88 LEU HB2 H 1 1.566 . . 1 . . . . 88 LEU HB2 . 6173 1 1077 . 1 1 88 88 LEU HB3 H 1 1.566 . . 1 . . . . 88 LEU HB3 . 6173 1 1078 . 1 1 88 88 LEU HG H 1 1.566 . . 1 . . . . 88 LEU HG . 6173 1 1079 . 1 1 88 88 LEU HD11 H 1 0.858 . . 1 . . . . 88 LEU HD1 . 6173 1 1080 . 1 1 88 88 LEU HD12 H 1 0.858 . . 1 . . . . 88 LEU HD1 . 6173 1 1081 . 1 1 88 88 LEU HD13 H 1 0.858 . . 1 . . . . 88 LEU HD1 . 6173 1 1082 . 1 1 88 88 LEU HD21 H 1 0.793 . . 1 . . . . 88 LEU HD2 . 6173 1 1083 . 1 1 88 88 LEU HD22 H 1 0.793 . . 1 . . . . 88 LEU HD2 . 6173 1 1084 . 1 1 88 88 LEU HD23 H 1 0.793 . . 1 . . . . 88 LEU HD2 . 6173 1 1085 . 1 1 88 88 LEU C C 13 176.600 . . 1 . . . . 88 LEU C . 6173 1 1086 . 1 1 88 88 LEU CA C 13 54.785 . . 1 . . . . 88 LEU CA . 6173 1 1087 . 1 1 88 88 LEU CB C 13 42.472 . . 1 . . . . 88 LEU CB . 6173 1 1088 . 1 1 88 88 LEU CG C 13 27.524 . . 1 . . . . 88 LEU CG . 6173 1 1089 . 1 1 88 88 LEU CD1 C 13 25.084 . . 1 . . . . 88 LEU CD1 . 6173 1 1090 . 1 1 88 88 LEU CD2 C 13 23.884 . . 1 . . . . 88 LEU CD2 . 6173 1 1091 . 1 1 88 88 LEU N N 15 126.889 . . 1 . . . . 88 LEU N . 6173 1 1092 . 1 1 89 89 GLU H H 1 8.499 . . 1 . . . . 89 GLU H . 6173 1 1093 . 1 1 89 89 GLU HA H 1 4.303 . . 1 . . . . 89 GLU HA . 6173 1 1094 . 1 1 89 89 GLU HB2 H 1 1.957 . . 2 . . . . 89 GLU HB2 . 6173 1 1095 . 1 1 89 89 GLU HB3 H 1 1.850 . . 2 . . . . 89 GLU HB3 . 6173 1 1096 . 1 1 89 89 GLU HG2 H 1 2.174 . . 2 . . . . 89 GLU HG2 . 6173 1 1097 . 1 1 89 89 GLU HG3 H 1 2.131 . . 2 . . . . 89 GLU HG3 . 6173 1 1098 . 1 1 89 89 GLU C C 13 177.800 . . 1 . . . . 89 GLU C . 6173 1 1099 . 1 1 89 89 GLU CA C 13 56.541 . . 1 . . . . 89 GLU CA . 6173 1 1100 . 1 1 89 89 GLU CB C 13 31.037 . . 1 . . . . 89 GLU CB . 6173 1 1101 . 1 1 89 89 GLU CG C 13 36.479 . . 1 . . . . 89 GLU CG . 6173 1 1102 . 1 1 89 89 GLU N N 15 122.231 . . 1 . . . . 89 GLU N . 6173 1 1103 . 1 1 90 90 HIS H H 1 8.461 . . 1 . . . . 90 HIS H . 6173 1 1104 . 1 1 90 90 HIS CA C 13 57.480 . . 1 . . . . 90 HIS CA . 6173 1 1105 . 1 1 90 90 HIS N N 15 120.947 . . 1 . . . . 90 HIS N . 6173 1 1106 . 1 1 91 91 HIS H H 1 8.101 . . 1 . . . . 91 HIS H . 6173 1 1107 . 1 1 91 91 HIS N N 15 125.473 . . 1 . . . . 91 HIS N . 6173 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Assigned_chemical_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assigned_chemical_shift_list_2 _Assigned_chem_shift_list.Entry_ID 6173 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Sample_condition_list_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_PfR48.NC.RX.7.85 isotropic 6173 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 10 10 TYR HD1 H 1 6.941 . . 1 . . . . 10 TYR HD1 . 6173 2 2 . 1 1 10 10 TYR HD2 H 1 6.941 . . 1 . . . . 10 TYR HD2 . 6173 2 3 . 1 1 10 10 TYR HE1 H 1 6.570 . . 1 . . . . 10 TYR HE1 . 6173 2 4 . 1 1 10 10 TYR HE2 H 1 6.570 . . 1 . . . . 10 TYR HE2 . 6173 2 5 . 1 1 10 10 TYR CD1 C 13 132.969 . . 1 . . . . 10 TYR CD1 . 6173 2 6 . 1 1 10 10 TYR CD2 C 13 132.969 . . 1 . . . . 10 TYR CD2 . 6173 2 7 . 1 1 10 10 TYR CE1 C 13 117.911 . . 1 . . . . 10 TYR CE1 . 6173 2 8 . 1 1 10 10 TYR CE2 C 13 117.911 . . 1 . . . . 10 TYR CE2 . 6173 2 9 . 1 1 45 45 TRP HD1 H 1 7.324 . . 1 . . . . 45 TRP HD1 . 6173 2 10 . 1 1 45 45 TRP HE1 H 1 11.453 . . 3 . . . . 45 TRP HE1 . 6173 2 11 . 1 1 45 45 TRP HE3 H 1 7.223 . . 1 . . . . 45 TRP HE3 . 6173 2 12 . 1 1 45 45 TRP HZ2 H 1 7.351 . . 1 . . . . 45 TRP HZ2 . 6173 2 13 . 1 1 45 45 TRP HZ3 H 1 6.826 . . 1 . . . . 45 TRP HZ3 . 6173 2 14 . 1 1 45 45 TRP HH2 H 1 6.989 . . 1 . . . . 45 TRP HH2 . 6173 2 15 . 1 1 45 45 TRP CD1 C 13 126.667 . . 1 . . . . 45 TRP CD1 . 6173 2 16 . 1 1 45 45 TRP CE3 C 13 120.611 . . 1 . . . . 45 TRP CE3 . 6173 2 17 . 1 1 45 45 TRP CZ2 C 13 114.010 . . 1 . . . . 45 TRP CZ2 . 6173 2 18 . 1 1 45 45 TRP CZ3 C 13 120.464 . . 1 . . . . 45 TRP CZ3 . 6173 2 19 . 1 1 45 45 TRP CH2 C 13 122.925 . . 1 . . . . 45 TRP CH2 . 6173 2 20 . 1 1 45 45 TRP NE1 N 15 133.891 . . 3 . . . . 45 TRP NE1 . 6173 2 21 . 1 1 71 71 PHE HD1 H 1 7.140 . . 1 . . . . 71 PHE HD1 . 6173 2 22 . 1 1 71 71 PHE HD2 H 1 7.140 . . 1 . . . . 71 PHE HD2 . 6173 2 23 . 1 1 71 71 PHE HE1 H 1 7.047 . . 1 . . . . 71 PHE HE1 . 6173 2 24 . 1 1 71 71 PHE HE2 H 1 7.047 . . 1 . . . . 71 PHE HE2 . 6173 2 25 . 1 1 71 71 PHE HZ H 1 6.792 . . 1 . . . . 71 PHE HZ . 6173 2 26 . 1 1 71 71 PHE CD1 C 13 131.924 . . 1 . . . . 71 PHE CD1 . 6173 2 27 . 1 1 71 71 PHE CD2 C 13 131.924 . . 1 . . . . 71 PHE CD2 . 6173 2 28 . 1 1 71 71 PHE CE1 C 13 130.815 . . 1 . . . . 71 PHE CE1 . 6173 2 29 . 1 1 71 71 PHE CE2 C 13 130.815 . . 1 . . . . 71 PHE CE2 . 6173 2 30 . 1 1 71 71 PHE CZ C 13 128.373 . . 1 . . . . 71 PHE CZ . 6173 2 31 . 1 1 83 83 TYR HD1 H 1 7.267 . . 1 . . . . 83 TYR HD1 . 6173 2 32 . 1 1 83 83 TYR HD2 H 1 7.267 . . 1 . . . . 83 TYR HD2 . 6173 2 33 . 1 1 83 83 TYR HE1 H 1 6.865 . . 1 . . . . 83 TYR HE1 . 6173 2 34 . 1 1 83 83 TYR HE2 H 1 6.865 . . 1 . . . . 83 TYR HE2 . 6173 2 35 . 1 1 83 83 TYR CD1 C 13 132.956 . . 1 . . . . 83 TYR CD1 . 6173 2 36 . 1 1 83 83 TYR CD2 C 13 132.956 . . 1 . . . . 83 TYR CD2 . 6173 2 37 . 1 1 83 83 TYR CE1 C 13 118.353 . . 1 . . . . 83 TYR CE1 . 6173 2 38 . 1 1 83 83 TYR CE2 C 13 118.353 . . 1 . . . . 83 TYR CE2 . 6173 2 stop_ save_