################################### # 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 15674 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCO' . . . 15674 1 4 '3D HBHA(CO)NH' . . . 15674 1 5 '3D CBCA(CO)NH' . . . 15674 1 6 '3D HNCA' . . . 15674 1 7 '3D HCCH-TOCSY' . . . 15674 1 8 '3D (H)CCH-TOCSY' . . . 15674 1 9 '3D 1H-13C NOESY' . . . 15674 1 10 '3D 1H-15N NOESY' . . . 15674 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 15674 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 19 19 GLU H H 1 8.137 0.030 . 1 . . . . . 1 GLU H . 15674 1 2 . 1 1 19 19 GLU HA H 1 4.134 0.030 . 1 . . . . . 1 GLU HA . 15674 1 3 . 1 1 19 19 GLU HB2 H 1 1.978 0.030 . 2 . . . . . 1 GLU HB2 . 15674 1 4 . 1 1 19 19 GLU HB3 H 1 1.978 0.030 . 2 . . . . . 1 GLU HB3 . 15674 1 5 . 1 1 19 19 GLU HG2 H 1 2.321 0.030 . 2 . . . . . 1 GLU HG2 . 15674 1 6 . 1 1 19 19 GLU HG3 H 1 2.229 0.030 . 2 . . . . . 1 GLU HG3 . 15674 1 7 . 1 1 19 19 GLU C C 13 176.600 0.300 . 1 . . . . . 1 GLU C . 15674 1 8 . 1 1 19 19 GLU CA C 13 56.996 0.400 . 1 . . . . . 1 GLU CA . 15674 1 9 . 1 1 19 19 GLU CB C 13 30.276 0.400 . 1 . . . . . 1 GLU CB . 15674 1 10 . 1 1 19 19 GLU CG C 13 36.253 0.400 . 1 . . . . . 1 GLU CG . 15674 1 11 . 1 1 19 19 GLU N N 15 120.216 0.400 . 1 . . . . . 1 GLU N . 15674 1 12 . 1 1 20 20 GLN H H 1 7.667 0.030 . 1 . . . . . 2 GLN H . 15674 1 13 . 1 1 20 20 GLN HA H 1 4.155 0.030 . 1 . . . . . 2 GLN HA . 15674 1 14 . 1 1 20 20 GLN HB2 H 1 2.034 0.030 . 2 . . . . . 2 GLN HB2 . 15674 1 15 . 1 1 20 20 GLN HB3 H 1 1.823 0.030 . 2 . . . . . 2 GLN HB3 . 15674 1 16 . 1 1 20 20 GLN HE21 H 1 6.699 0.030 . 2 . . . . . 2 GLN HE21 . 15674 1 17 . 1 1 20 20 GLN HE22 H 1 7.290 0.030 . 2 . . . . . 2 GLN HE22 . 15674 1 18 . 1 1 20 20 GLN HG2 H 1 2.165 0.030 . 2 . . . . . 2 GLN HG2 . 15674 1 19 . 1 1 20 20 GLN HG3 H 1 2.165 0.030 . 2 . . . . . 2 GLN HG3 . 15674 1 20 . 1 1 20 20 GLN C C 13 175.323 0.300 . 1 . . . . . 2 GLN C . 15674 1 21 . 1 1 20 20 GLN CA C 13 55.890 0.400 . 1 . . . . . 2 GLN CA . 15674 1 22 . 1 1 20 20 GLN CB C 13 29.033 0.400 . 1 . . . . . 2 GLN CB . 15674 1 23 . 1 1 20 20 GLN CG C 13 33.626 0.400 . 1 . . . . . 2 GLN CG . 15674 1 24 . 1 1 20 20 GLN N N 15 120.437 0.400 . 1 . . . . . 2 GLN N . 15674 1 25 . 1 1 20 20 GLN NE2 N 15 111.904 0.400 . 1 . . . . . 2 GLN NE2 . 15674 1 26 . 1 1 21 21 VAL H H 1 7.893 0.030 . 1 . . . . . 3 VAL H . 15674 1 27 . 1 1 21 21 VAL HA H 1 3.936 0.030 . 1 . . . . . 3 VAL HA . 15674 1 28 . 1 1 21 21 VAL HB H 1 1.797 0.030 . 1 . . . . . 3 VAL HB . 15674 1 29 . 1 1 21 21 VAL HG11 H 1 0.661 0.030 . 2 . . . . . 3 VAL HG1 . 15674 1 30 . 1 1 21 21 VAL HG12 H 1 0.661 0.030 . 2 . . . . . 3 VAL HG1 . 15674 1 31 . 1 1 21 21 VAL HG13 H 1 0.661 0.030 . 2 . . . . . 3 VAL HG1 . 15674 1 32 . 1 1 21 21 VAL HG21 H 1 0.696 0.030 . 2 . . . . . 3 VAL HG2 . 15674 1 33 . 1 1 21 21 VAL HG22 H 1 0.696 0.030 . 2 . . . . . 3 VAL HG2 . 15674 1 34 . 1 1 21 21 VAL HG23 H 1 0.696 0.030 . 2 . . . . . 3 VAL HG2 . 15674 1 35 . 1 1 21 21 VAL C C 13 175.441 0.300 . 1 . . . . . 3 VAL C . 15674 1 36 . 1 1 21 21 VAL CA C 13 62.281 0.400 . 1 . . . . . 3 VAL CA . 15674 1 37 . 1 1 21 21 VAL CB C 13 33.167 0.400 . 1 . . . . . 3 VAL CB . 15674 1 38 . 1 1 21 21 VAL CG1 C 13 21.082 0.400 . 1 . . . . . 3 VAL CG1 . 15674 1 39 . 1 1 21 21 VAL CG2 C 13 20.640 0.400 . 1 . . . . . 3 VAL CG2 . 15674 1 40 . 1 1 21 21 VAL N N 15 121.118 0.400 . 1 . . . . . 3 VAL N . 15674 1 41 . 1 1 22 22 PHE H H 1 8.348 0.030 . 1 . . . . . 4 PHE H . 15674 1 42 . 1 1 22 22 PHE HA H 1 4.560 0.030 . 1 . . . . . 4 PHE HA . 15674 1 43 . 1 1 22 22 PHE HB2 H 1 2.568 0.030 . 2 . . . . . 4 PHE HB2 . 15674 1 44 . 1 1 22 22 PHE HB3 H 1 2.438 0.030 . 2 . . . . . 4 PHE HB3 . 15674 1 45 . 1 1 22 22 PHE HD1 H 1 6.535 0.030 . 1 . . . . . 4 PHE HD1 . 15674 1 46 . 1 1 22 22 PHE HD2 H 1 6.535 0.030 . 1 . . . . . 4 PHE HD2 . 15674 1 47 . 1 1 22 22 PHE HE1 H 1 6.537 0.030 . 1 . . . . . 4 PHE HE1 . 15674 1 48 . 1 1 22 22 PHE HE2 H 1 6.537 0.030 . 1 . . . . . 4 PHE HE2 . 15674 1 49 . 1 1 22 22 PHE C C 13 174.317 0.300 . 1 . . . . . 4 PHE C . 15674 1 50 . 1 1 22 22 PHE CA C 13 57.430 0.400 . 1 . . . . . 4 PHE CA . 15674 1 51 . 1 1 22 22 PHE CB C 13 39.537 0.400 . 1 . . . . . 4 PHE CB . 15674 1 52 . 1 1 22 22 PHE CD1 C 13 131.004 0.400 . 1 . . . . . 4 PHE CD1 . 15674 1 53 . 1 1 22 22 PHE CE1 C 13 128.999 0.400 . 1 . . . . . 4 PHE CE1 . 15674 1 54 . 1 1 22 22 PHE N N 15 124.325 0.400 . 1 . . . . . 4 PHE N . 15674 1 55 . 1 1 23 23 ALA H H 1 9.004 0.030 . 1 . . . . . 5 ALA H . 15674 1 56 . 1 1 23 23 ALA HA H 1 4.884 0.030 . 1 . . . . . 5 ALA HA . 15674 1 57 . 1 1 23 23 ALA HB1 H 1 1.428 0.030 . 1 . . . . . 5 ALA HB . 15674 1 58 . 1 1 23 23 ALA HB2 H 1 1.428 0.030 . 1 . . . . . 5 ALA HB . 15674 1 59 . 1 1 23 23 ALA HB3 H 1 1.428 0.030 . 1 . . . . . 5 ALA HB . 15674 1 60 . 1 1 23 23 ALA C C 13 176.678 0.300 . 1 . . . . . 5 ALA C . 15674 1 61 . 1 1 23 23 ALA CA C 13 51.103 0.400 . 1 . . . . . 5 ALA CA . 15674 1 62 . 1 1 23 23 ALA CB C 13 21.136 0.400 . 1 . . . . . 5 ALA CB . 15674 1 63 . 1 1 23 23 ALA N N 15 125.853 0.400 . 1 . . . . . 5 ALA N . 15674 1 64 . 1 1 24 24 VAL H H 1 8.760 0.030 . 1 . . . . . 6 VAL H . 15674 1 65 . 1 1 24 24 VAL HA H 1 3.388 0.030 . 1 . . . . . 6 VAL HA . 15674 1 66 . 1 1 24 24 VAL HB H 1 1.945 0.030 . 1 . . . . . 6 VAL HB . 15674 1 67 . 1 1 24 24 VAL HG11 H 1 0.706 0.030 . 2 . . . . . 6 VAL HG1 . 15674 1 68 . 1 1 24 24 VAL HG12 H 1 0.706 0.030 . 2 . . . . . 6 VAL HG1 . 15674 1 69 . 1 1 24 24 VAL HG13 H 1 0.706 0.030 . 2 . . . . . 6 VAL HG1 . 15674 1 70 . 1 1 24 24 VAL HG21 H 1 0.509 0.030 . 2 . . . . . 6 VAL HG2 . 15674 1 71 . 1 1 24 24 VAL HG22 H 1 0.509 0.030 . 2 . . . . . 6 VAL HG2 . 15674 1 72 . 1 1 24 24 VAL HG23 H 1 0.509 0.030 . 2 . . . . . 6 VAL HG2 . 15674 1 73 . 1 1 24 24 VAL CA C 13 64.272 0.400 . 1 . . . . . 6 VAL CA . 15674 1 74 . 1 1 24 24 VAL CB C 13 32.189 0.400 . 1 . . . . . 6 VAL CB . 15674 1 75 . 1 1 24 24 VAL CG1 C 13 22.441 0.400 . 1 . . . . . 6 VAL CG1 . 15674 1 76 . 1 1 24 24 VAL CG2 C 13 21.967 0.400 . 1 . . . . . 6 VAL CG2 . 15674 1 77 . 1 1 24 24 VAL N N 15 124.512 0.400 . 1 . . . . . 6 VAL N . 15674 1 78 . 1 1 25 25 GLU H H 1 9.249 0.030 . 1 . . . . . 7 GLU H . 15674 1 79 . 1 1 25 25 GLU HA H 1 4.308 0.030 . 1 . . . . . 7 GLU HA . 15674 1 80 . 1 1 25 25 GLU HB2 H 1 1.740 0.030 . 2 . . . . . 7 GLU HB2 . 15674 1 81 . 1 1 25 25 GLU HB3 H 1 1.740 0.030 . 2 . . . . . 7 GLU HB3 . 15674 1 82 . 1 1 25 25 GLU HG2 H 1 2.041 0.030 . 2 . . . . . 7 GLU HG2 . 15674 1 83 . 1 1 25 25 GLU HG3 H 1 2.041 0.030 . 2 . . . . . 7 GLU HG3 . 15674 1 84 . 1 1 25 25 GLU C C 13 175.726 0.300 . 1 . . . . . 7 GLU C . 15674 1 85 . 1 1 25 25 GLU CA C 13 57.519 0.400 . 1 . . . . . 7 GLU CA . 15674 1 86 . 1 1 25 25 GLU CB C 13 32.222 0.400 . 1 . . . . . 7 GLU CB . 15674 1 87 . 1 1 25 25 GLU CG C 13 36.490 0.400 . 1 . . . . . 7 GLU CG . 15674 1 88 . 1 1 25 25 GLU N N 15 128.262 0.400 . 1 . . . . . 7 GLU N . 15674 1 89 . 1 1 26 26 SER H H 1 7.680 0.030 . 1 . . . . . 8 SER H . 15674 1 90 . 1 1 26 26 SER HA H 1 4.358 0.030 . 1 . . . . . 8 SER HA . 15674 1 91 . 1 1 26 26 SER HB2 H 1 3.792 0.030 . 2 . . . . . 8 SER HB2 . 15674 1 92 . 1 1 26 26 SER HB3 H 1 3.653 0.030 . 2 . . . . . 8 SER HB3 . 15674 1 93 . 1 1 26 26 SER C C 13 171.381 0.300 . 1 . . . . . 8 SER C . 15674 1 94 . 1 1 26 26 SER CA C 13 57.235 0.400 . 1 . . . . . 8 SER CA . 15674 1 95 . 1 1 26 26 SER CB C 13 64.781 0.400 . 1 . . . . . 8 SER CB . 15674 1 96 . 1 1 26 26 SER N N 15 108.972 0.400 . 1 . . . . . 8 SER N . 15674 1 97 . 1 1 27 27 ILE H H 1 8.351 0.030 . 1 . . . . . 9 ILE H . 15674 1 98 . 1 1 27 27 ILE HA H 1 4.138 0.030 . 1 . . . . . 9 ILE HA . 15674 1 99 . 1 1 27 27 ILE HB H 1 1.426 0.030 . 1 . . . . . 9 ILE HB . 15674 1 100 . 1 1 27 27 ILE HD11 H 1 0.121 0.030 . 1 . . . . . 9 ILE HD1 . 15674 1 101 . 1 1 27 27 ILE HD12 H 1 0.121 0.030 . 1 . . . . . 9 ILE HD1 . 15674 1 102 . 1 1 27 27 ILE HD13 H 1 0.121 0.030 . 1 . . . . . 9 ILE HD1 . 15674 1 103 . 1 1 27 27 ILE HG12 H 1 1.090 0.030 . 2 . . . . . 9 ILE HG12 . 15674 1 104 . 1 1 27 27 ILE HG13 H 1 0.579 0.030 . 2 . . . . . 9 ILE HG13 . 15674 1 105 . 1 1 27 27 ILE HG21 H 1 0.303 0.030 . 1 . . . . . 9 ILE HG2 . 15674 1 106 . 1 1 27 27 ILE HG22 H 1 0.303 0.030 . 1 . . . . . 9 ILE HG2 . 15674 1 107 . 1 1 27 27 ILE HG23 H 1 0.303 0.030 . 1 . . . . . 9 ILE HG2 . 15674 1 108 . 1 1 27 27 ILE C C 13 175.608 0.300 . 1 . . . . . 9 ILE C . 15674 1 109 . 1 1 27 27 ILE CA C 13 60.287 0.400 . 1 . . . . . 9 ILE CA . 15674 1 110 . 1 1 27 27 ILE CB C 13 38.955 0.400 . 1 . . . . . 9 ILE CB . 15674 1 111 . 1 1 27 27 ILE CD1 C 13 12.888 0.400 . 1 . . . . . 9 ILE CD1 . 15674 1 112 . 1 1 27 27 ILE CG1 C 13 27.730 0.400 . 1 . . . . . 9 ILE CG1 . 15674 1 113 . 1 1 27 27 ILE CG2 C 13 18.289 0.400 . 1 . . . . . 9 ILE CG2 . 15674 1 114 . 1 1 27 27 ILE N N 15 120.433 0.400 . 1 . . . . . 9 ILE N . 15674 1 115 . 1 1 28 28 ARG H H 1 9.069 0.030 . 1 . . . . . 10 ARG H . 15674 1 116 . 1 1 28 28 ARG HA H 1 4.346 0.030 . 1 . . . . . 10 ARG HA . 15674 1 117 . 1 1 28 28 ARG HB2 H 1 1.886 0.030 . 2 . . . . . 10 ARG HB2 . 15674 1 118 . 1 1 28 28 ARG HB3 H 1 1.275 0.030 . 2 . . . . . 10 ARG HB3 . 15674 1 119 . 1 1 28 28 ARG HD2 H 1 3.046 0.030 . 2 . . . . . 10 ARG HD2 . 15674 1 120 . 1 1 28 28 ARG HD3 H 1 2.733 0.030 . 2 . . . . . 10 ARG HD3 . 15674 1 121 . 1 1 28 28 ARG HG2 H 1 1.486 0.030 . 2 . . . . . 10 ARG HG2 . 15674 1 122 . 1 1 28 28 ARG HG3 H 1 1.486 0.030 . 2 . . . . . 10 ARG HG3 . 15674 1 123 . 1 1 28 28 ARG C C 13 176.048 0.300 . 1 . . . . . 10 ARG C . 15674 1 124 . 1 1 28 28 ARG CA C 13 56.568 0.400 . 1 . . . . . 10 ARG CA . 15674 1 125 . 1 1 28 28 ARG CB C 13 32.274 0.400 . 1 . . . . . 10 ARG CB . 15674 1 126 . 1 1 28 28 ARG CD C 13 43.020 0.400 . 1 . . . . . 10 ARG CD . 15674 1 127 . 1 1 28 28 ARG CG C 13 26.247 0.400 . 1 . . . . . 10 ARG CG . 15674 1 128 . 1 1 28 28 ARG N N 15 123.386 0.400 . 1 . . . . . 10 ARG N . 15674 1 129 . 1 1 29 29 LYS H H 1 7.096 0.030 . 1 . . . . . 11 LYS H . 15674 1 130 . 1 1 29 29 LYS HA H 1 4.668 0.030 . 1 . . . . . 11 LYS HA . 15674 1 131 . 1 1 29 29 LYS HB2 H 1 1.919 0.030 . 2 . . . . . 11 LYS HB2 . 15674 1 132 . 1 1 29 29 LYS HB3 H 1 1.634 0.030 . 2 . . . . . 11 LYS HB3 . 15674 1 133 . 1 1 29 29 LYS HD2 H 1 1.878 0.030 . 2 . . . . . 11 LYS HD2 . 15674 1 134 . 1 1 29 29 LYS HD3 H 1 1.773 0.030 . 2 . . . . . 11 LYS HD3 . 15674 1 135 . 1 1 29 29 LYS HE2 H 1 3.056 0.030 . 2 . . . . . 11 LYS HE2 . 15674 1 136 . 1 1 29 29 LYS HE3 H 1 3.056 0.030 . 2 . . . . . 11 LYS HE3 . 15674 1 137 . 1 1 29 29 LYS HG2 H 1 1.482 0.030 . 2 . . . . . 11 LYS HG2 . 15674 1 138 . 1 1 29 29 LYS HG3 H 1 1.641 0.030 . 2 . . . . . 11 LYS HG3 . 15674 1 139 . 1 1 29 29 LYS C C 13 172.926 0.300 . 1 . . . . . 11 LYS C . 15674 1 140 . 1 1 29 29 LYS CA C 13 55.422 0.400 . 1 . . . . . 11 LYS CA . 15674 1 141 . 1 1 29 29 LYS CB C 13 37.865 0.400 . 1 . . . . . 11 LYS CB . 15674 1 142 . 1 1 29 29 LYS CD C 13 29.387 0.400 . 1 . . . . . 11 LYS CD . 15674 1 143 . 1 1 29 29 LYS CE C 13 42.224 0.400 . 1 . . . . . 11 LYS CE . 15674 1 144 . 1 1 29 29 LYS CG C 13 26.041 0.400 . 1 . . . . . 11 LYS CG . 15674 1 145 . 1 1 29 29 LYS N N 15 115.532 0.400 . 1 . . . . . 11 LYS N . 15674 1 146 . 1 1 30 30 LYS H H 1 8.241 0.030 . 1 . . . . . 12 LYS H . 15674 1 147 . 1 1 30 30 LYS HA H 1 5.402 0.030 . 1 . . . . . 12 LYS HA . 15674 1 148 . 1 1 30 30 LYS HB2 H 1 1.803 0.030 . 2 . . . . . 12 LYS HB2 . 15674 1 149 . 1 1 30 30 LYS HB3 H 1 1.603 0.030 . 2 . . . . . 12 LYS HB3 . 15674 1 150 . 1 1 30 30 LYS HD2 H 1 1.716 0.030 . 2 . . . . . 12 LYS HD2 . 15674 1 151 . 1 1 30 30 LYS HD3 H 1 1.716 0.030 . 2 . . . . . 12 LYS HD3 . 15674 1 152 . 1 1 30 30 LYS HE2 H 1 2.805 0.030 . 2 . . . . . 12 LYS HE2 . 15674 1 153 . 1 1 30 30 LYS HE3 H 1 2.805 0.030 . 2 . . . . . 12 LYS HE3 . 15674 1 154 . 1 1 30 30 LYS HG2 H 1 1.103 0.030 . 2 . . . . . 12 LYS HG2 . 15674 1 155 . 1 1 30 30 LYS HG3 H 1 1.002 0.030 . 2 . . . . . 12 LYS HG3 . 15674 1 156 . 1 1 30 30 LYS C C 13 174.556 0.300 . 1 . . . . . 12 LYS C . 15674 1 157 . 1 1 30 30 LYS CA C 13 55.115 0.400 . 1 . . . . . 12 LYS CA . 15674 1 158 . 1 1 30 30 LYS CB C 13 37.551 0.400 . 1 . . . . . 12 LYS CB . 15674 1 159 . 1 1 30 30 LYS CD C 13 30.238 0.400 . 1 . . . . . 12 LYS CD . 15674 1 160 . 1 1 30 30 LYS CE C 13 42.142 0.400 . 1 . . . . . 12 LYS CE . 15674 1 161 . 1 1 30 30 LYS CG C 13 24.725 0.400 . 1 . . . . . 12 LYS CG . 15674 1 162 . 1 1 30 30 LYS N N 15 122.427 0.400 . 1 . . . . . 12 LYS N . 15674 1 163 . 1 1 31 31 ARG H H 1 9.304 0.030 . 1 . . . . . 13 ARG H . 15674 1 164 . 1 1 31 31 ARG HA H 1 4.784 0.030 . 1 . . . . . 13 ARG HA . 15674 1 165 . 1 1 31 31 ARG HB2 H 1 1.594 0.030 . 2 . . . . . 13 ARG HB2 . 15674 1 166 . 1 1 31 31 ARG HB3 H 1 1.313 0.030 . 2 . . . . . 13 ARG HB3 . 15674 1 167 . 1 1 31 31 ARG HD2 H 1 2.058 0.030 . 2 . . . . . 13 ARG HD2 . 15674 1 168 . 1 1 31 31 ARG HD3 H 1 2.058 0.030 . 2 . . . . . 13 ARG HD3 . 15674 1 169 . 1 1 31 31 ARG HG2 H 1 1.132 0.030 . 2 . . . . . 13 ARG HG2 . 15674 1 170 . 1 1 31 31 ARG HG3 H 1 1.132 0.030 . 2 . . . . . 13 ARG HG3 . 15674 1 171 . 1 1 31 31 ARG C C 13 171.936 0.300 . 1 . . . . . 13 ARG C . 15674 1 172 . 1 1 31 31 ARG CA C 13 54.438 0.400 . 1 . . . . . 13 ARG CA . 15674 1 173 . 1 1 31 31 ARG CB C 13 32.992 0.400 . 1 . . . . . 13 ARG CB . 15674 1 174 . 1 1 31 31 ARG CD C 13 42.425 0.400 . 1 . . . . . 13 ARG CD . 15674 1 175 . 1 1 31 31 ARG CG C 13 25.127 0.400 . 1 . . . . . 13 ARG CG . 15674 1 176 . 1 1 31 31 ARG N N 15 123.553 0.400 . 1 . . . . . 13 ARG N . 15674 1 177 . 1 1 32 32 VAL H H 1 8.176 0.030 . 1 . . . . . 14 VAL H . 15674 1 178 . 1 1 32 32 VAL HA H 1 4.665 0.030 . 1 . . . . . 14 VAL HA . 15674 1 179 . 1 1 32 32 VAL HB H 1 1.756 0.030 . 1 . . . . . 14 VAL HB . 15674 1 180 . 1 1 32 32 VAL HG11 H 1 0.758 0.030 . 2 . . . . . 14 VAL HG1 . 15674 1 181 . 1 1 32 32 VAL HG12 H 1 0.758 0.030 . 2 . . . . . 14 VAL HG1 . 15674 1 182 . 1 1 32 32 VAL HG13 H 1 0.758 0.030 . 2 . . . . . 14 VAL HG1 . 15674 1 183 . 1 1 32 32 VAL HG21 H 1 0.602 0.030 . 2 . . . . . 14 VAL HG2 . 15674 1 184 . 1 1 32 32 VAL HG22 H 1 0.602 0.030 . 2 . . . . . 14 VAL HG2 . 15674 1 185 . 1 1 32 32 VAL HG23 H 1 0.602 0.030 . 2 . . . . . 14 VAL HG2 . 15674 1 186 . 1 1 32 32 VAL C C 13 175.933 0.300 . 1 . . . . . 14 VAL C . 15674 1 187 . 1 1 32 32 VAL CA C 13 60.941 0.400 . 1 . . . . . 14 VAL CA . 15674 1 188 . 1 1 32 32 VAL CB C 13 32.817 0.400 . 1 . . . . . 14 VAL CB . 15674 1 189 . 1 1 32 32 VAL CG1 C 13 20.909 0.400 . 1 . . . . . 14 VAL CG1 . 15674 1 190 . 1 1 32 32 VAL CG2 C 13 20.898 0.400 . 1 . . . . . 14 VAL CG2 . 15674 1 191 . 1 1 32 32 VAL N N 15 119.507 0.400 . 1 . . . . . 14 VAL N . 15674 1 192 . 1 1 33 33 ARG H H 1 8.943 0.030 . 1 . . . . . 15 ARG H . 15674 1 193 . 1 1 33 33 ARG HA H 1 4.477 0.030 . 1 . . . . . 15 ARG HA . 15674 1 194 . 1 1 33 33 ARG HB2 H 1 1.501 0.030 . 2 . . . . . 15 ARG HB2 . 15674 1 195 . 1 1 33 33 ARG HB3 H 1 1.192 0.030 . 2 . . . . . 15 ARG HB3 . 15674 1 196 . 1 1 33 33 ARG HD2 H 1 3.059 0.030 . 2 . . . . . 15 ARG HD2 . 15674 1 197 . 1 1 33 33 ARG HD3 H 1 2.758 0.030 . 2 . . . . . 15 ARG HD3 . 15674 1 198 . 1 1 33 33 ARG HG2 H 1 1.340 0.030 . 2 . . . . . 15 ARG HG2 . 15674 1 199 . 1 1 33 33 ARG HG3 H 1 1.135 0.030 . 2 . . . . . 15 ARG HG3 . 15674 1 200 . 1 1 33 33 ARG CA C 13 54.822 0.400 . 1 . . . . . 15 ARG CA . 15674 1 201 . 1 1 33 33 ARG CB C 13 33.150 0.400 . 1 . . . . . 15 ARG CB . 15674 1 202 . 1 1 33 33 ARG CD C 13 42.982 0.400 . 1 . . . . . 15 ARG CD . 15674 1 203 . 1 1 33 33 ARG CG C 13 27.203 0.400 . 1 . . . . . 15 ARG CG . 15674 1 204 . 1 1 33 33 ARG N N 15 128.571 0.400 . 1 . . . . . 15 ARG N . 15674 1 205 . 1 1 34 34 LYS HA H 1 3.804 0.030 . 1 . . . . . 16 LYS HA . 15674 1 206 . 1 1 34 34 LYS HB2 H 1 1.907 0.030 . 2 . . . . . 16 LYS HB2 . 15674 1 207 . 1 1 34 34 LYS HB3 H 1 1.729 0.030 . 2 . . . . . 16 LYS HB3 . 15674 1 208 . 1 1 34 34 LYS HD2 H 1 1.905 0.030 . 2 . . . . . 16 LYS HD2 . 15674 1 209 . 1 1 34 34 LYS HD3 H 1 1.639 0.030 . 2 . . . . . 16 LYS HD3 . 15674 1 210 . 1 1 34 34 LYS HE2 H 1 2.934 0.030 . 2 . . . . . 16 LYS HE2 . 15674 1 211 . 1 1 34 34 LYS HE3 H 1 2.934 0.030 . 2 . . . . . 16 LYS HE3 . 15674 1 212 . 1 1 34 34 LYS HG2 H 1 1.325 0.030 . 2 . . . . . 16 LYS HG2 . 15674 1 213 . 1 1 34 34 LYS HG3 H 1 1.325 0.030 . 2 . . . . . 16 LYS HG3 . 15674 1 214 . 1 1 34 34 LYS C C 13 176.379 0.300 . 1 . . . . . 16 LYS C . 15674 1 215 . 1 1 34 34 LYS CA C 13 56.940 0.400 . 1 . . . . . 16 LYS CA . 15674 1 216 . 1 1 34 34 LYS CB C 13 29.882 0.400 . 1 . . . . . 16 LYS CB . 15674 1 217 . 1 1 34 34 LYS CD C 13 29.550 0.400 . 1 . . . . . 16 LYS CD . 15674 1 218 . 1 1 34 34 LYS CE C 13 42.148 0.400 . 1 . . . . . 16 LYS CE . 15674 1 219 . 1 1 34 34 LYS CG C 13 25.164 0.400 . 1 . . . . . 16 LYS CG . 15674 1 220 . 1 1 35 35 GLY H H 1 8.230 0.030 . 1 . . . . . 17 GLY H . 15674 1 221 . 1 1 35 35 GLY HA2 H 1 4.040 0.030 . 2 . . . . . 17 GLY HA2 . 15674 1 222 . 1 1 35 35 GLY HA3 H 1 3.410 0.030 . 2 . . . . . 17 GLY HA3 . 15674 1 223 . 1 1 35 35 GLY C C 13 173.368 0.300 . 1 . . . . . 17 GLY C . 15674 1 224 . 1 1 35 35 GLY CA C 13 45.323 0.400 . 1 . . . . . 17 GLY CA . 15674 1 225 . 1 1 35 35 GLY N N 15 103.018 0.400 . 1 . . . . . 17 GLY N . 15674 1 226 . 1 1 36 36 LYS H H 1 7.714 0.030 . 1 . . . . . 18 LYS H . 15674 1 227 . 1 1 36 36 LYS HA H 1 4.575 0.030 . 1 . . . . . 18 LYS HA . 15674 1 228 . 1 1 36 36 LYS HB2 H 1 1.948 0.030 . 2 . . . . . 18 LYS HB2 . 15674 1 229 . 1 1 36 36 LYS HB3 H 1 1.729 0.030 . 2 . . . . . 18 LYS HB3 . 15674 1 230 . 1 1 36 36 LYS HD2 H 1 1.690 0.030 . 2 . . . . . 18 LYS HD2 . 15674 1 231 . 1 1 36 36 LYS HD3 H 1 1.690 0.030 . 2 . . . . . 18 LYS HD3 . 15674 1 232 . 1 1 36 36 LYS HE2 H 1 3.015 0.030 . 2 . . . . . 18 LYS HE2 . 15674 1 233 . 1 1 36 36 LYS HE3 H 1 3.015 0.030 . 2 . . . . . 18 LYS HE3 . 15674 1 234 . 1 1 36 36 LYS HG2 H 1 1.420 0.030 . 2 . . . . . 18 LYS HG2 . 15674 1 235 . 1 1 36 36 LYS HG3 H 1 1.355 0.030 . 2 . . . . . 18 LYS HG3 . 15674 1 236 . 1 1 36 36 LYS C C 13 174.697 0.300 . 1 . . . . . 18 LYS C . 15674 1 237 . 1 1 36 36 LYS CA C 13 54.320 0.400 . 1 . . . . . 18 LYS CA . 15674 1 238 . 1 1 36 36 LYS CB C 13 33.796 0.400 . 1 . . . . . 18 LYS CB . 15674 1 239 . 1 1 36 36 LYS CD C 13 28.534 0.400 . 1 . . . . . 18 LYS CD . 15674 1 240 . 1 1 36 36 LYS CE C 13 41.951 0.400 . 1 . . . . . 18 LYS CE . 15674 1 241 . 1 1 36 36 LYS CG C 13 24.200 0.400 . 1 . . . . . 18 LYS CG . 15674 1 242 . 1 1 36 36 LYS N N 15 121.641 0.400 . 1 . . . . . 18 LYS N . 15674 1 243 . 1 1 37 37 VAL H H 1 8.559 0.030 . 1 . . . . . 19 VAL H . 15674 1 244 . 1 1 37 37 VAL HA H 1 4.230 0.030 . 1 . . . . . 19 VAL HA . 15674 1 245 . 1 1 37 37 VAL HB H 1 1.771 0.030 . 1 . . . . . 19 VAL HB . 15674 1 246 . 1 1 37 37 VAL HG11 H 1 0.892 0.030 . 2 . . . . . 19 VAL HG1 . 15674 1 247 . 1 1 37 37 VAL HG12 H 1 0.892 0.030 . 2 . . . . . 19 VAL HG1 . 15674 1 248 . 1 1 37 37 VAL HG13 H 1 0.892 0.030 . 2 . . . . . 19 VAL HG1 . 15674 1 249 . 1 1 37 37 VAL HG21 H 1 0.442 0.030 . 2 . . . . . 19 VAL HG2 . 15674 1 250 . 1 1 37 37 VAL HG22 H 1 0.442 0.030 . 2 . . . . . 19 VAL HG2 . 15674 1 251 . 1 1 37 37 VAL HG23 H 1 0.442 0.030 . 2 . . . . . 19 VAL HG2 . 15674 1 252 . 1 1 37 37 VAL C C 13 175.790 0.300 . 1 . . . . . 19 VAL C . 15674 1 253 . 1 1 37 37 VAL CA C 13 62.905 0.400 . 1 . . . . . 19 VAL CA . 15674 1 254 . 1 1 37 37 VAL CB C 13 31.944 0.400 . 1 . . . . . 19 VAL CB . 15674 1 255 . 1 1 37 37 VAL CG1 C 13 22.039 0.400 . 1 . . . . . 19 VAL CG1 . 15674 1 256 . 1 1 37 37 VAL CG2 C 13 21.971 0.400 . 1 . . . . . 19 VAL CG2 . 15674 1 257 . 1 1 37 37 VAL N N 15 124.227 0.400 . 1 . . . . . 19 VAL N . 15674 1 258 . 1 1 38 38 GLU H H 1 8.894 0.030 . 1 . . . . . 20 GLU H . 15674 1 259 . 1 1 38 38 GLU HA H 1 4.938 0.030 . 1 . . . . . 20 GLU HA . 15674 1 260 . 1 1 38 38 GLU HB2 H 1 2.044 0.030 . 2 . . . . . 20 GLU HB2 . 15674 1 261 . 1 1 38 38 GLU HB3 H 1 1.835 0.030 . 2 . . . . . 20 GLU HB3 . 15674 1 262 . 1 1 38 38 GLU HG2 H 1 1.828 0.030 . 2 . . . . . 20 GLU HG2 . 15674 1 263 . 1 1 38 38 GLU HG3 H 1 1.672 0.030 . 2 . . . . . 20 GLU HG3 . 15674 1 264 . 1 1 38 38 GLU C C 13 173.999 0.300 . 1 . . . . . 20 GLU C . 15674 1 265 . 1 1 38 38 GLU CA C 13 53.848 0.400 . 1 . . . . . 20 GLU CA . 15674 1 266 . 1 1 38 38 GLU CB C 13 36.230 0.400 . 1 . . . . . 20 GLU CB . 15674 1 267 . 1 1 38 38 GLU CG C 13 35.406 0.400 . 1 . . . . . 20 GLU CG . 15674 1 268 . 1 1 38 38 GLU N N 15 126.181 0.400 . 1 . . . . . 20 GLU N . 15674 1 269 . 1 1 39 39 TYR H H 1 9.292 0.030 . 1 . . . . . 21 TYR H . 15674 1 270 . 1 1 39 39 TYR HA H 1 5.384 0.030 . 1 . . . . . 21 TYR HA . 15674 1 271 . 1 1 39 39 TYR HB2 H 1 2.727 0.030 . 2 . . . . . 21 TYR HB2 . 15674 1 272 . 1 1 39 39 TYR HB3 H 1 2.320 0.030 . 2 . . . . . 21 TYR HB3 . 15674 1 273 . 1 1 39 39 TYR HD1 H 1 6.739 0.030 . 1 . . . . . 21 TYR HD1 . 15674 1 274 . 1 1 39 39 TYR HD2 H 1 6.739 0.030 . 1 . . . . . 21 TYR HD2 . 15674 1 275 . 1 1 39 39 TYR HE1 H 1 6.533 0.030 . 1 . . . . . 21 TYR HE1 . 15674 1 276 . 1 1 39 39 TYR HE2 H 1 6.533 0.030 . 1 . . . . . 21 TYR HE2 . 15674 1 277 . 1 1 39 39 TYR C C 13 173.986 0.300 . 1 . . . . . 21 TYR C . 15674 1 278 . 1 1 39 39 TYR CA C 13 55.913 0.400 . 1 . . . . . 21 TYR CA . 15674 1 279 . 1 1 39 39 TYR CB C 13 42.136 0.400 . 1 . . . . . 21 TYR CB . 15674 1 280 . 1 1 39 39 TYR CD1 C 13 132.779 0.400 . 1 . . . . . 21 TYR CD1 . 15674 1 281 . 1 1 39 39 TYR CE1 C 13 117.174 0.400 . 1 . . . . . 21 TYR CE1 . 15674 1 282 . 1 1 39 39 TYR N N 15 117.917 0.400 . 1 . . . . . 21 TYR N . 15674 1 283 . 1 1 40 40 LEU H H 1 8.099 0.030 . 1 . . . . . 22 LEU H . 15674 1 284 . 1 1 40 40 LEU HA H 1 3.710 0.030 . 1 . . . . . 22 LEU HA . 15674 1 285 . 1 1 40 40 LEU HB2 H 1 -1.491 0.030 . 2 . . . . . 22 LEU HB2 . 15674 1 286 . 1 1 40 40 LEU HB3 H 1 0.866 0.030 . 2 . . . . . 22 LEU HB3 . 15674 1 287 . 1 1 40 40 LEU HD11 H 1 0.313 0.030 . 2 . . . . . 22 LEU HD1 . 15674 1 288 . 1 1 40 40 LEU HD12 H 1 0.313 0.030 . 2 . . . . . 22 LEU HD1 . 15674 1 289 . 1 1 40 40 LEU HD13 H 1 0.313 0.030 . 2 . . . . . 22 LEU HD1 . 15674 1 290 . 1 1 40 40 LEU HD21 H 1 -0.573 0.030 . 2 . . . . . 22 LEU HD2 . 15674 1 291 . 1 1 40 40 LEU HD22 H 1 -0.573 0.030 . 2 . . . . . 22 LEU HD2 . 15674 1 292 . 1 1 40 40 LEU HD23 H 1 -0.573 0.030 . 2 . . . . . 22 LEU HD2 . 15674 1 293 . 1 1 40 40 LEU HG H 1 0.529 0.030 . 1 . . . . . 22 LEU HG . 15674 1 294 . 1 1 40 40 LEU C C 13 174.526 0.300 . 1 . . . . . 22 LEU C . 15674 1 295 . 1 1 40 40 LEU CA C 13 53.440 0.400 . 1 . . . . . 22 LEU CA . 15674 1 296 . 1 1 40 40 LEU CB C 13 40.084 0.400 . 1 . . . . . 22 LEU CB . 15674 1 297 . 1 1 40 40 LEU CD1 C 13 25.337 0.400 . 1 . . . . . 22 LEU CD1 . 15674 1 298 . 1 1 40 40 LEU CD2 C 13 20.139 0.400 . 1 . . . . . 22 LEU CD2 . 15674 1 299 . 1 1 40 40 LEU CG C 13 26.503 0.400 . 1 . . . . . 22 LEU CG . 15674 1 300 . 1 1 40 40 LEU N N 15 127.447 0.400 . 1 . . . . . 22 LEU N . 15674 1 301 . 1 1 41 41 VAL H H 1 8.761 0.030 . 1 . . . . . 23 VAL H . 15674 1 302 . 1 1 41 41 VAL HA H 1 4.008 0.030 . 1 . . . . . 23 VAL HA . 15674 1 303 . 1 1 41 41 VAL HB H 1 1.426 0.030 . 1 . . . . . 23 VAL HB . 15674 1 304 . 1 1 41 41 VAL HG11 H 1 0.220 0.030 . 2 . . . . . 23 VAL HG1 . 15674 1 305 . 1 1 41 41 VAL HG12 H 1 0.220 0.030 . 2 . . . . . 23 VAL HG1 . 15674 1 306 . 1 1 41 41 VAL HG13 H 1 0.220 0.030 . 2 . . . . . 23 VAL HG1 . 15674 1 307 . 1 1 41 41 VAL HG21 H 1 -0.291 0.030 . 2 . . . . . 23 VAL HG2 . 15674 1 308 . 1 1 41 41 VAL HG22 H 1 -0.291 0.030 . 2 . . . . . 23 VAL HG2 . 15674 1 309 . 1 1 41 41 VAL HG23 H 1 -0.291 0.030 . 2 . . . . . 23 VAL HG2 . 15674 1 310 . 1 1 41 41 VAL C C 13 173.652 0.300 . 1 . . . . . 23 VAL C . 15674 1 311 . 1 1 41 41 VAL CA C 13 61.330 0.400 . 1 . . . . . 23 VAL CA . 15674 1 312 . 1 1 41 41 VAL CB C 13 33.452 0.400 . 1 . . . . . 23 VAL CB . 15674 1 313 . 1 1 41 41 VAL CG1 C 13 20.346 0.400 . 1 . . . . . 23 VAL CG1 . 15674 1 314 . 1 1 41 41 VAL CG2 C 13 21.178 0.400 . 1 . . . . . 23 VAL CG2 . 15674 1 315 . 1 1 41 41 VAL N N 15 127.407 0.400 . 1 . . . . . 23 VAL N . 15674 1 316 . 1 1 42 42 LYS H H 1 8.098 0.030 . 1 . . . . . 24 LYS H . 15674 1 317 . 1 1 42 42 LYS HA H 1 4.469 0.030 . 1 . . . . . 24 LYS HA . 15674 1 318 . 1 1 42 42 LYS HB2 H 1 1.958 0.030 . 2 . . . . . 24 LYS HB2 . 15674 1 319 . 1 1 42 42 LYS HB3 H 1 1.282 0.030 . 2 . . . . . 24 LYS HB3 . 15674 1 320 . 1 1 42 42 LYS HD2 H 1 1.787 0.030 . 2 . . . . . 24 LYS HD2 . 15674 1 321 . 1 1 42 42 LYS HD3 H 1 1.548 0.030 . 2 . . . . . 24 LYS HD3 . 15674 1 322 . 1 1 42 42 LYS HE2 H 1 3.067 0.030 . 2 . . . . . 24 LYS HE2 . 15674 1 323 . 1 1 42 42 LYS HE3 H 1 2.903 0.030 . 2 . . . . . 24 LYS HE3 . 15674 1 324 . 1 1 42 42 LYS HG2 H 1 1.294 0.030 . 2 . . . . . 24 LYS HG2 . 15674 1 325 . 1 1 42 42 LYS HG3 H 1 1.294 0.030 . 2 . . . . . 24 LYS HG3 . 15674 1 326 . 1 1 42 42 LYS C C 13 175.511 0.300 . 1 . . . . . 24 LYS C . 15674 1 327 . 1 1 42 42 LYS CA C 13 54.182 0.400 . 1 . . . . . 24 LYS CA . 15674 1 328 . 1 1 42 42 LYS CB C 13 33.795 0.400 . 1 . . . . . 24 LYS CB . 15674 1 329 . 1 1 42 42 LYS CD C 13 28.749 0.400 . 1 . . . . . 24 LYS CD . 15674 1 330 . 1 1 42 42 LYS CE C 13 43.106 0.400 . 1 . . . . . 24 LYS CE . 15674 1 331 . 1 1 42 42 LYS CG C 13 25.543 0.400 . 1 . . . . . 24 LYS CG . 15674 1 332 . 1 1 42 42 LYS N N 15 124.498 0.400 . 1 . . . . . 24 LYS N . 15674 1 333 . 1 1 43 43 TRP H H 1 8.551 0.030 . 1 . . . . . 25 TRP H . 15674 1 334 . 1 1 43 43 TRP HA H 1 4.868 0.030 . 1 . . . . . 25 TRP HA . 15674 1 335 . 1 1 43 43 TRP HB2 H 1 3.372 0.030 . 2 . . . . . 25 TRP HB2 . 15674 1 336 . 1 1 43 43 TRP HB3 H 1 3.038 0.030 . 2 . . . . . 25 TRP HB3 . 15674 1 337 . 1 1 43 43 TRP HD1 H 1 7.223 0.030 . 1 . . . . . 25 TRP HD1 . 15674 1 338 . 1 1 43 43 TRP HE1 H 1 10.192 0.030 . 1 . . . . . 25 TRP HE1 . 15674 1 339 . 1 1 43 43 TRP C C 13 177.092 0.300 . 1 . . . . . 25 TRP C . 15674 1 340 . 1 1 43 43 TRP CA C 13 55.891 0.400 . 1 . . . . . 25 TRP CA . 15674 1 341 . 1 1 43 43 TRP CB C 13 30.953 0.400 . 1 . . . . . 25 TRP CB . 15674 1 342 . 1 1 43 43 TRP CD1 C 13 127.965 0.400 . 1 . . . . . 25 TRP CD1 . 15674 1 343 . 1 1 43 43 TRP N N 15 130.890 0.400 . 1 . . . . . 25 TRP N . 15674 1 344 . 1 1 43 43 TRP NE1 N 15 129.533 0.400 . 1 . . . . . 25 TRP NE1 . 15674 1 345 . 1 1 44 44 LYS H H 1 9.371 0.030 . 1 . . . . . 26 LYS H . 15674 1 346 . 1 1 44 44 LYS HA H 1 4.249 0.030 . 1 . . . . . 26 LYS HA . 15674 1 347 . 1 1 44 44 LYS HB2 H 1 1.947 0.030 . 2 . . . . . 26 LYS HB2 . 15674 1 348 . 1 1 44 44 LYS HB3 H 1 1.684 0.030 . 2 . . . . . 26 LYS HB3 . 15674 1 349 . 1 1 44 44 LYS HD2 H 1 1.649 0.030 . 2 . . . . . 26 LYS HD2 . 15674 1 350 . 1 1 44 44 LYS HD3 H 1 1.649 0.030 . 2 . . . . . 26 LYS HD3 . 15674 1 351 . 1 1 44 44 LYS HE2 H 1 2.949 0.030 . 2 . . . . . 26 LYS HE2 . 15674 1 352 . 1 1 44 44 LYS HE3 H 1 2.949 0.030 . 2 . . . . . 26 LYS HE3 . 15674 1 353 . 1 1 44 44 LYS HG2 H 1 1.360 0.030 . 2 . . . . . 26 LYS HG2 . 15674 1 354 . 1 1 44 44 LYS HG3 H 1 1.360 0.030 . 2 . . . . . 26 LYS HG3 . 15674 1 355 . 1 1 44 44 LYS CA C 13 58.197 0.400 . 1 . . . . . 26 LYS CA . 15674 1 356 . 1 1 44 44 LYS CB C 13 32.889 0.400 . 1 . . . . . 26 LYS CB . 15674 1 357 . 1 1 44 44 LYS CD C 13 29.461 0.400 . 1 . . . . . 26 LYS CD . 15674 1 358 . 1 1 44 44 LYS CE C 13 42.167 0.400 . 1 . . . . . 26 LYS CE . 15674 1 359 . 1 1 44 44 LYS CG C 13 25.314 0.400 . 1 . . . . . 26 LYS CG . 15674 1 360 . 1 1 44 44 LYS N N 15 125.472 0.400 . 1 . . . . . 26 LYS N . 15674 1 361 . 1 1 45 45 GLY H H 1 9.215 0.030 . 1 . . . . . 27 GLY H . 15674 1 362 . 1 1 45 45 GLY HA2 H 1 4.004 0.030 . 2 . . . . . 27 GLY HA2 . 15674 1 363 . 1 1 45 45 GLY HA3 H 1 3.530 0.030 . 2 . . . . . 27 GLY HA3 . 15674 1 364 . 1 1 45 45 GLY C C 13 173.219 0.300 . 1 . . . . . 27 GLY C . 15674 1 365 . 1 1 45 45 GLY CA C 13 45.291 0.400 . 1 . . . . . 27 GLY CA . 15674 1 366 . 1 1 45 45 GLY N N 15 113.382 0.400 . 1 . . . . . 27 GLY N . 15674 1 367 . 1 1 46 46 TRP H H 1 7.664 0.030 . 1 . . . . . 28 TRP H . 15674 1 368 . 1 1 46 46 TRP HA H 1 4.940 0.030 . 1 . . . . . 28 TRP HA . 15674 1 369 . 1 1 46 46 TRP HB2 H 1 3.160 0.030 . 2 . . . . . 28 TRP HB2 . 15674 1 370 . 1 1 46 46 TRP HB3 H 1 3.025 0.030 . 2 . . . . . 28 TRP HB3 . 15674 1 371 . 1 1 46 46 TRP HD1 H 1 7.018 0.030 . 1 . . . . . 28 TRP HD1 . 15674 1 372 . 1 1 46 46 TRP HZ2 H 1 7.266 0.030 . 1 . . . . . 28 TRP HZ2 . 15674 1 373 . 1 1 46 46 TRP CA C 13 53.953 0.400 . 1 . . . . . 28 TRP CA . 15674 1 374 . 1 1 46 46 TRP CB C 13 31.440 0.400 . 1 . . . . . 28 TRP CB . 15674 1 375 . 1 1 46 46 TRP CD1 C 13 127.046 0.400 . 1 . . . . . 28 TRP CD1 . 15674 1 376 . 1 1 46 46 TRP CZ2 C 13 114.455 0.400 . 1 . . . . . 28 TRP CZ2 . 15674 1 377 . 1 1 46 46 TRP N N 15 119.718 0.400 . 1 . . . . . 28 TRP N . 15674 1 378 . 1 1 47 47 PRO HA H 1 4.884 0.030 . 1 . . . . . 29 PRO HA . 15674 1 379 . 1 1 47 47 PRO HB2 H 1 2.656 0.030 . 2 . . . . . 29 PRO HB2 . 15674 1 380 . 1 1 47 47 PRO HB3 H 1 2.242 0.030 . 2 . . . . . 29 PRO HB3 . 15674 1 381 . 1 1 47 47 PRO HD2 H 1 3.926 0.030 . 2 . . . . . 29 PRO HD2 . 15674 1 382 . 1 1 47 47 PRO HD3 H 1 3.926 0.030 . 2 . . . . . 29 PRO HD3 . 15674 1 383 . 1 1 47 47 PRO HG2 H 1 2.185 0.030 . 2 . . . . . 29 PRO HG2 . 15674 1 384 . 1 1 47 47 PRO HG3 H 1 2.262 0.030 . 2 . . . . . 29 PRO HG3 . 15674 1 385 . 1 1 47 47 PRO CA C 13 62.237 0.400 . 1 . . . . . 29 PRO CA . 15674 1 386 . 1 1 47 47 PRO CB C 13 31.333 0.400 . 1 . . . . . 29 PRO CB . 15674 1 387 . 1 1 47 47 PRO CD C 13 51.179 0.400 . 1 . . . . . 29 PRO CD . 15674 1 388 . 1 1 47 47 PRO CG C 13 27.501 0.400 . 1 . . . . . 29 PRO CG . 15674 1 389 . 1 1 48 48 PRO HA H 1 4.212 0.030 . 1 . . . . . 30 PRO HA . 15674 1 390 . 1 1 48 48 PRO HB2 H 1 2.270 0.030 . 2 . . . . . 30 PRO HB2 . 15674 1 391 . 1 1 48 48 PRO HB3 H 1 2.270 0.030 . 2 . . . . . 30 PRO HB3 . 15674 1 392 . 1 1 48 48 PRO HD2 H 1 3.926 0.030 . 2 . . . . . 30 PRO HD2 . 15674 1 393 . 1 1 48 48 PRO HD3 H 1 3.926 0.030 . 2 . . . . . 30 PRO HD3 . 15674 1 394 . 1 1 48 48 PRO HG2 H 1 2.208 0.030 . 2 . . . . . 30 PRO HG2 . 15674 1 395 . 1 1 48 48 PRO HG3 H 1 1.901 0.030 . 2 . . . . . 30 PRO HG3 . 15674 1 396 . 1 1 48 48 PRO CA C 13 65.775 0.400 . 1 . . . . . 30 PRO CA . 15674 1 397 . 1 1 48 48 PRO CB C 13 31.787 0.400 . 1 . . . . . 30 PRO CB . 15674 1 398 . 1 1 48 48 PRO CD C 13 51.179 0.400 . 1 . . . . . 30 PRO CD . 15674 1 399 . 1 1 48 48 PRO CG C 13 27.904 0.400 . 1 . . . . . 30 PRO CG . 15674 1 400 . 1 1 49 49 LYS HA H 1 4.197 0.030 . 1 . . . . . 31 LYS HA . 15674 1 401 . 1 1 49 49 LYS HB2 H 1 1.816 0.030 . 2 . . . . . 31 LYS HB2 . 15674 1 402 . 1 1 49 49 LYS HB3 H 1 1.614 0.030 . 2 . . . . . 31 LYS HB3 . 15674 1 403 . 1 1 49 49 LYS HD2 H 1 1.486 0.030 . 2 . . . . . 31 LYS HD2 . 15674 1 404 . 1 1 49 49 LYS HD3 H 1 1.486 0.030 . 2 . . . . . 31 LYS HD3 . 15674 1 405 . 1 1 49 49 LYS HE2 H 1 2.759 0.030 . 2 . . . . . 31 LYS HE2 . 15674 1 406 . 1 1 49 49 LYS HE3 H 1 2.759 0.030 . 2 . . . . . 31 LYS HE3 . 15674 1 407 . 1 1 49 49 LYS HG2 H 1 1.006 0.030 . 2 . . . . . 31 LYS HG2 . 15674 1 408 . 1 1 49 49 LYS HG3 H 1 0.653 0.030 . 2 . . . . . 31 LYS HG3 . 15674 1 409 . 1 1 49 49 LYS C C 13 176.661 0.300 . 1 . . . . . 31 LYS C . 15674 1 410 . 1 1 49 49 LYS CA C 13 58.561 0.400 . 1 . . . . . 31 LYS CA . 15674 1 411 . 1 1 49 49 LYS CB C 13 31.400 0.400 . 1 . . . . . 31 LYS CB . 15674 1 412 . 1 1 49 49 LYS CD C 13 29.322 0.400 . 1 . . . . . 31 LYS CD . 15674 1 413 . 1 1 49 49 LYS CE C 13 41.999 0.400 . 1 . . . . . 31 LYS CE . 15674 1 414 . 1 1 49 49 LYS CG C 13 24.014 0.400 . 1 . . . . . 31 LYS CG . 15674 1 415 . 1 1 50 50 TYR H H 1 8.170 0.030 . 1 . . . . . 32 TYR H . 15674 1 416 . 1 1 50 50 TYR HA H 1 4.543 0.030 . 1 . . . . . 32 TYR HA . 15674 1 417 . 1 1 50 50 TYR HB2 H 1 3.332 0.030 . 2 . . . . . 32 TYR HB2 . 15674 1 418 . 1 1 50 50 TYR HB3 H 1 2.995 0.030 . 2 . . . . . 32 TYR HB3 . 15674 1 419 . 1 1 50 50 TYR HD1 H 1 7.069 0.030 . 1 . . . . . 32 TYR HD1 . 15674 1 420 . 1 1 50 50 TYR HD2 H 1 7.069 0.030 . 1 . . . . . 32 TYR HD2 . 15674 1 421 . 1 1 50 50 TYR HE1 H 1 6.804 0.030 . 1 . . . . . 32 TYR HE1 . 15674 1 422 . 1 1 50 50 TYR HE2 H 1 6.804 0.030 . 1 . . . . . 32 TYR HE2 . 15674 1 423 . 1 1 50 50 TYR C C 13 175.096 0.300 . 1 . . . . . 32 TYR C . 15674 1 424 . 1 1 50 50 TYR CA C 13 58.266 0.400 . 1 . . . . . 32 TYR CA . 15674 1 425 . 1 1 50 50 TYR CB C 13 37.995 0.400 . 1 . . . . . 32 TYR CB . 15674 1 426 . 1 1 50 50 TYR CD1 C 13 133.107 0.400 . 1 . . . . . 32 TYR CD1 . 15674 1 427 . 1 1 50 50 TYR CE1 C 13 118.261 0.400 . 1 . . . . . 32 TYR CE1 . 15674 1 428 . 1 1 50 50 TYR N N 15 118.266 0.400 . 1 . . . . . 32 TYR N . 15674 1 429 . 1 1 51 51 SER H H 1 7.767 0.030 . 1 . . . . . 33 SER H . 15674 1 430 . 1 1 51 51 SER HA H 1 4.868 0.030 . 1 . . . . . 33 SER HA . 15674 1 431 . 1 1 51 51 SER HB2 H 1 3.579 0.030 . 2 . . . . . 33 SER HB2 . 15674 1 432 . 1 1 51 51 SER HB3 H 1 3.452 0.030 . 2 . . . . . 33 SER HB3 . 15674 1 433 . 1 1 51 51 SER C C 13 173.984 0.300 . 1 . . . . . 33 SER C . 15674 1 434 . 1 1 51 51 SER CA C 13 61.079 0.400 . 1 . . . . . 33 SER CA . 15674 1 435 . 1 1 51 51 SER CB C 13 64.015 0.400 . 1 . . . . . 33 SER CB . 15674 1 436 . 1 1 51 51 SER N N 15 116.432 0.400 . 1 . . . . . 33 SER N . 15674 1 437 . 1 1 52 52 THR H H 1 7.822 0.030 . 1 . . . . . 34 THR H . 15674 1 438 . 1 1 52 52 THR HA H 1 4.712 0.030 . 1 . . . . . 34 THR HA . 15674 1 439 . 1 1 52 52 THR HB H 1 4.365 0.030 . 1 . . . . . 34 THR HB . 15674 1 440 . 1 1 52 52 THR HG21 H 1 1.282 0.030 . 1 . . . . . 34 THR HG2 . 15674 1 441 . 1 1 52 52 THR HG22 H 1 1.282 0.030 . 1 . . . . . 34 THR HG2 . 15674 1 442 . 1 1 52 52 THR HG23 H 1 1.282 0.030 . 1 . . . . . 34 THR HG2 . 15674 1 443 . 1 1 52 52 THR C C 13 173.310 0.300 . 1 . . . . . 34 THR C . 15674 1 444 . 1 1 52 52 THR CA C 13 59.512 0.400 . 1 . . . . . 34 THR CA . 15674 1 445 . 1 1 52 52 THR CB C 13 71.645 0.400 . 1 . . . . . 34 THR CB . 15674 1 446 . 1 1 52 52 THR CG2 C 13 23.476 0.400 . 1 . . . . . 34 THR CG2 . 15674 1 447 . 1 1 52 52 THR N N 15 113.493 0.400 . 1 . . . . . 34 THR N . 15674 1 448 . 1 1 53 53 TRP H H 1 8.565 0.030 . 1 . . . . . 35 TRP H . 15674 1 449 . 1 1 53 53 TRP HA H 1 4.906 0.030 . 1 . . . . . 35 TRP HA . 15674 1 450 . 1 1 53 53 TRP HB2 H 1 2.925 0.030 . 2 . . . . . 35 TRP HB2 . 15674 1 451 . 1 1 53 53 TRP HB3 H 1 2.707 0.030 . 2 . . . . . 35 TRP HB3 . 15674 1 452 . 1 1 53 53 TRP HD1 H 1 7.139 0.030 . 1 . . . . . 35 TRP HD1 . 15674 1 453 . 1 1 53 53 TRP HE1 H 1 9.988 0.030 . 1 . . . . . 35 TRP HE1 . 15674 1 454 . 1 1 53 53 TRP HH2 H 1 6.671 0.030 . 1 . . . . . 35 TRP HH2 . 15674 1 455 . 1 1 53 53 TRP HZ2 H 1 7.348 0.030 . 1 . . . . . 35 TRP HZ2 . 15674 1 456 . 1 1 53 53 TRP C C 13 176.786 0.300 . 1 . . . . . 35 TRP C . 15674 1 457 . 1 1 53 53 TRP CA C 13 56.412 0.400 . 1 . . . . . 35 TRP CA . 15674 1 458 . 1 1 53 53 TRP CB C 13 29.392 0.400 . 1 . . . . . 35 TRP CB . 15674 1 459 . 1 1 53 53 TRP CD1 C 13 127.725 0.400 . 1 . . . . . 35 TRP CD1 . 15674 1 460 . 1 1 53 53 TRP CH2 C 13 122.876 0.400 . 1 . . . . . 35 TRP CH2 . 15674 1 461 . 1 1 53 53 TRP CZ2 C 13 114.686 0.400 . 1 . . . . . 35 TRP CZ2 . 15674 1 462 . 1 1 53 53 TRP N N 15 122.619 0.400 . 1 . . . . . 35 TRP N . 15674 1 463 . 1 1 53 53 TRP NE1 N 15 129.592 0.400 . 1 . . . . . 35 TRP NE1 . 15674 1 464 . 1 1 54 54 GLU H H 1 9.739 0.030 . 1 . . . . . 36 GLU H . 15674 1 465 . 1 1 54 54 GLU HA H 1 5.170 0.030 . 1 . . . . . 36 GLU HA . 15674 1 466 . 1 1 54 54 GLU HB2 H 1 1.657 0.030 . 2 . . . . . 36 GLU HB2 . 15674 1 467 . 1 1 54 54 GLU HB3 H 1 1.657 0.030 . 2 . . . . . 36 GLU HB3 . 15674 1 468 . 1 1 54 54 GLU HG2 H 1 2.428 0.030 . 2 . . . . . 36 GLU HG2 . 15674 1 469 . 1 1 54 54 GLU HG3 H 1 2.246 0.030 . 2 . . . . . 36 GLU HG3 . 15674 1 470 . 1 1 54 54 GLU CA C 13 51.985 0.400 . 1 . . . . . 36 GLU CA . 15674 1 471 . 1 1 54 54 GLU CB C 13 32.061 0.400 . 1 . . . . . 36 GLU CB . 15674 1 472 . 1 1 54 54 GLU CG C 13 35.364 0.400 . 1 . . . . . 36 GLU CG . 15674 1 473 . 1 1 54 54 GLU N N 15 124.821 0.400 . 1 . . . . . 36 GLU N . 15674 1 474 . 1 1 55 55 PRO HA H 1 4.760 0.030 . 1 . . . . . 37 PRO HA . 15674 1 475 . 1 1 55 55 PRO HB2 H 1 2.342 0.030 . 2 . . . . . 37 PRO HB2 . 15674 1 476 . 1 1 55 55 PRO HB3 H 1 1.970 0.030 . 2 . . . . . 37 PRO HB3 . 15674 1 477 . 1 1 55 55 PRO HD2 H 1 3.792 0.030 . 2 . . . . . 37 PRO HD2 . 15674 1 478 . 1 1 55 55 PRO HD3 H 1 3.641 0.030 . 2 . . . . . 37 PRO HD3 . 15674 1 479 . 1 1 55 55 PRO HG2 H 1 1.792 0.030 . 2 . . . . . 37 PRO HG2 . 15674 1 480 . 1 1 55 55 PRO HG3 H 1 1.792 0.030 . 2 . . . . . 37 PRO HG3 . 15674 1 481 . 1 1 55 55 PRO C C 13 177.600 0.300 . 1 . . . . . 37 PRO C . 15674 1 482 . 1 1 55 55 PRO CA C 13 62.354 0.400 . 1 . . . . . 37 PRO CA . 15674 1 483 . 1 1 55 55 PRO CB C 13 32.552 0.400 . 1 . . . . . 37 PRO CB . 15674 1 484 . 1 1 55 55 PRO CD C 13 50.500 0.400 . 1 . . . . . 37 PRO CD . 15674 1 485 . 1 1 55 55 PRO CG C 13 26.537 0.400 . 1 . . . . . 37 PRO CG . 15674 1 486 . 1 1 56 56 GLU H H 1 8.327 0.030 . 1 . . . . . 38 GLU H . 15674 1 487 . 1 1 56 56 GLU HA H 1 3.967 0.030 . 1 . . . . . 38 GLU HA . 15674 1 488 . 1 1 56 56 GLU HB2 H 1 2.228 0.030 . 2 . . . . . 38 GLU HB2 . 15674 1 489 . 1 1 56 56 GLU HB3 H 1 2.228 0.030 . 2 . . . . . 38 GLU HB3 . 15674 1 490 . 1 1 56 56 GLU HG2 H 1 2.361 0.030 . 2 . . . . . 38 GLU HG2 . 15674 1 491 . 1 1 56 56 GLU HG3 H 1 2.255 0.030 . 2 . . . . . 38 GLU HG3 . 15674 1 492 . 1 1 56 56 GLU C C 13 177.694 0.300 . 1 . . . . . 38 GLU C . 15674 1 493 . 1 1 56 56 GLU CA C 13 59.906 0.400 . 1 . . . . . 38 GLU CA . 15674 1 494 . 1 1 56 56 GLU CB C 13 30.056 0.400 . 1 . . . . . 38 GLU CB . 15674 1 495 . 1 1 56 56 GLU CG C 13 35.744 0.400 . 1 . . . . . 38 GLU CG . 15674 1 496 . 1 1 56 56 GLU N N 15 120.744 0.400 . 1 . . . . . 38 GLU N . 15674 1 497 . 1 1 57 57 GLU H H 1 9.596 0.030 . 1 . . . . . 39 GLU H . 15674 1 498 . 1 1 57 57 GLU HA H 1 4.215 0.030 . 1 . . . . . 39 GLU HA . 15674 1 499 . 1 1 57 57 GLU HB2 H 1 2.062 0.030 . 2 . . . . . 39 GLU HB2 . 15674 1 500 . 1 1 57 57 GLU HB3 H 1 2.062 0.030 . 2 . . . . . 39 GLU HB3 . 15674 1 501 . 1 1 57 57 GLU HG2 H 1 2.304 0.030 . 2 . . . . . 39 GLU HG2 . 15674 1 502 . 1 1 57 57 GLU HG3 H 1 2.205 0.030 . 2 . . . . . 39 GLU HG3 . 15674 1 503 . 1 1 57 57 GLU C C 13 177.177 0.300 . 1 . . . . . 39 GLU C . 15674 1 504 . 1 1 57 57 GLU CA C 13 58.691 0.400 . 1 . . . . . 39 GLU CA . 15674 1 505 . 1 1 57 57 GLU CB C 13 28.515 0.400 . 1 . . . . . 39 GLU CB . 15674 1 506 . 1 1 57 57 GLU CG C 13 36.153 0.400 . 1 . . . . . 39 GLU CG . 15674 1 507 . 1 1 57 57 GLU N N 15 117.476 0.400 . 1 . . . . . 39 GLU N . 15674 1 508 . 1 1 58 58 HIS H H 1 8.105 0.030 . 1 . . . . . 40 HIS H . 15674 1 509 . 1 1 58 58 HIS HA H 1 4.828 0.030 . 1 . . . . . 40 HIS HA . 15674 1 510 . 1 1 58 58 HIS HB2 H 1 3.425 0.030 . 2 . . . . . 40 HIS HB2 . 15674 1 511 . 1 1 58 58 HIS HB3 H 1 3.239 0.030 . 2 . . . . . 40 HIS HB3 . 15674 1 512 . 1 1 58 58 HIS HD2 H 1 6.846 0.030 . 1 . . . . . 40 HIS HD2 . 15674 1 513 . 1 1 58 58 HIS C C 13 174.737 0.300 . 1 . . . . . 40 HIS C . 15674 1 514 . 1 1 58 58 HIS CA C 13 54.719 0.400 . 1 . . . . . 40 HIS CA . 15674 1 515 . 1 1 58 58 HIS CB C 13 30.145 0.400 . 1 . . . . . 40 HIS CB . 15674 1 516 . 1 1 58 58 HIS CD2 C 13 119.519 0.400 . 1 . . . . . 40 HIS CD2 . 15674 1 517 . 1 1 58 58 HIS N N 15 116.893 0.400 . 1 . . . . . 40 HIS N . 15674 1 518 . 1 1 59 59 ILE H H 1 7.705 0.030 . 1 . . . . . 41 ILE H . 15674 1 519 . 1 1 59 59 ILE HA H 1 4.091 0.030 . 1 . . . . . 41 ILE HA . 15674 1 520 . 1 1 59 59 ILE HB H 1 2.128 0.030 . 1 . . . . . 41 ILE HB . 15674 1 521 . 1 1 59 59 ILE HD11 H 1 0.532 0.030 . 1 . . . . . 41 ILE HD1 . 15674 1 522 . 1 1 59 59 ILE HD12 H 1 0.532 0.030 . 1 . . . . . 41 ILE HD1 . 15674 1 523 . 1 1 59 59 ILE HD13 H 1 0.532 0.030 . 1 . . . . . 41 ILE HD1 . 15674 1 524 . 1 1 59 59 ILE HG12 H 1 1.341 0.030 . 2 . . . . . 41 ILE HG12 . 15674 1 525 . 1 1 59 59 ILE HG13 H 1 1.238 0.030 . 2 . . . . . 41 ILE HG13 . 15674 1 526 . 1 1 59 59 ILE HG21 H 1 0.692 0.030 . 1 . . . . . 41 ILE HG2 . 15674 1 527 . 1 1 59 59 ILE HG22 H 1 0.692 0.030 . 1 . . . . . 41 ILE HG2 . 15674 1 528 . 1 1 59 59 ILE HG23 H 1 0.692 0.030 . 1 . . . . . 41 ILE HG2 . 15674 1 529 . 1 1 59 59 ILE C C 13 175.400 0.300 . 1 . . . . . 41 ILE C . 15674 1 530 . 1 1 59 59 ILE CA C 13 60.027 0.400 . 1 . . . . . 41 ILE CA . 15674 1 531 . 1 1 59 59 ILE CB C 13 35.741 0.400 . 1 . . . . . 41 ILE CB . 15674 1 532 . 1 1 59 59 ILE CD1 C 13 11.462 0.400 . 1 . . . . . 41 ILE CD1 . 15674 1 533 . 1 1 59 59 ILE CG1 C 13 27.223 0.400 . 1 . . . . . 41 ILE CG1 . 15674 1 534 . 1 1 59 59 ILE CG2 C 13 18.333 0.400 . 1 . . . . . 41 ILE CG2 . 15674 1 535 . 1 1 59 59 ILE N N 15 120.637 0.400 . 1 . . . . . 41 ILE N . 15674 1 536 . 1 1 60 60 LEU H H 1 8.291 0.030 . 1 . . . . . 42 LEU H . 15674 1 537 . 1 1 60 60 LEU HA H 1 4.217 0.030 . 1 . . . . . 42 LEU HA . 15674 1 538 . 1 1 60 60 LEU HB2 H 1 1.704 0.030 . 2 . . . . . 42 LEU HB2 . 15674 1 539 . 1 1 60 60 LEU HB3 H 1 1.596 0.030 . 2 . . . . . 42 LEU HB3 . 15674 1 540 . 1 1 60 60 LEU HD11 H 1 0.788 0.030 . 2 . . . . . 42 LEU HD1 . 15674 1 541 . 1 1 60 60 LEU HD12 H 1 0.788 0.030 . 2 . . . . . 42 LEU HD1 . 15674 1 542 . 1 1 60 60 LEU HD13 H 1 0.788 0.030 . 2 . . . . . 42 LEU HD1 . 15674 1 543 . 1 1 60 60 LEU HD21 H 1 0.824 0.030 . 2 . . . . . 42 LEU HD2 . 15674 1 544 . 1 1 60 60 LEU HD22 H 1 0.824 0.030 . 2 . . . . . 42 LEU HD2 . 15674 1 545 . 1 1 60 60 LEU HD23 H 1 0.824 0.030 . 2 . . . . . 42 LEU HD2 . 15674 1 546 . 1 1 60 60 LEU HG H 1 0.917 0.030 . 1 . . . . . 42 LEU HG . 15674 1 547 . 1 1 60 60 LEU C C 13 176.709 0.300 . 1 . . . . . 42 LEU C . 15674 1 548 . 1 1 60 60 LEU CA C 13 55.948 0.400 . 1 . . . . . 42 LEU CA . 15674 1 549 . 1 1 60 60 LEU CB C 13 41.819 0.400 . 1 . . . . . 42 LEU CB . 15674 1 550 . 1 1 60 60 LEU CD1 C 13 24.921 0.400 . 1 . . . . . 42 LEU CD1 . 15674 1 551 . 1 1 60 60 LEU CD2 C 13 22.802 0.400 . 1 . . . . . 42 LEU CD2 . 15674 1 552 . 1 1 60 60 LEU CG C 13 25.192 0.400 . 1 . . . . . 42 LEU CG . 15674 1 553 . 1 1 60 60 LEU N N 15 125.106 0.400 . 1 . . . . . 42 LEU N . 15674 1 554 . 1 1 61 61 ASP H H 1 7.361 0.030 . 1 . . . . . 43 ASP H . 15674 1 555 . 1 1 61 61 ASP HA H 1 5.028 0.030 . 1 . . . . . 43 ASP HA . 15674 1 556 . 1 1 61 61 ASP HB2 H 1 2.858 0.030 . 2 . . . . . 43 ASP HB2 . 15674 1 557 . 1 1 61 61 ASP HB3 H 1 2.532 0.030 . 2 . . . . . 43 ASP HB3 . 15674 1 558 . 1 1 61 61 ASP CA C 13 50.584 0.400 . 1 . . . . . 43 ASP CA . 15674 1 559 . 1 1 61 61 ASP CB C 13 41.706 0.400 . 1 . . . . . 43 ASP CB . 15674 1 560 . 1 1 61 61 ASP N N 15 118.088 0.400 . 1 . . . . . 43 ASP N . 15674 1 561 . 1 1 62 62 PRO HA H 1 4.268 0.030 . 1 . . . . . 44 PRO HA . 15674 1 562 . 1 1 62 62 PRO HB2 H 1 2.350 0.030 . 2 . . . . . 44 PRO HB2 . 15674 1 563 . 1 1 62 62 PRO HB3 H 1 1.965 0.030 . 2 . . . . . 44 PRO HB3 . 15674 1 564 . 1 1 62 62 PRO HD2 H 1 3.962 0.030 . 2 . . . . . 44 PRO HD2 . 15674 1 565 . 1 1 62 62 PRO HD3 H 1 3.962 0.030 . 2 . . . . . 44 PRO HD3 . 15674 1 566 . 1 1 62 62 PRO HG2 H 1 2.018 0.030 . 2 . . . . . 44 PRO HG2 . 15674 1 567 . 1 1 62 62 PRO HG3 H 1 2.018 0.030 . 2 . . . . . 44 PRO HG3 . 15674 1 568 . 1 1 62 62 PRO C C 13 178.600 0.300 . 1 . . . . . 44 PRO C . 15674 1 569 . 1 1 62 62 PRO CA C 13 64.153 0.400 . 1 . . . . . 44 PRO CA . 15674 1 570 . 1 1 62 62 PRO CB C 13 32.228 0.400 . 1 . . . . . 44 PRO CB . 15674 1 571 . 1 1 62 62 PRO CD C 13 51.183 0.400 . 1 . . . . . 44 PRO CD . 15674 1 572 . 1 1 62 62 PRO CG C 13 27.048 0.400 . 1 . . . . . 44 PRO CG . 15674 1 573 . 1 1 63 63 ARG H H 1 8.262 0.030 . 1 . . . . . 45 ARG H . 15674 1 574 . 1 1 63 63 ARG HA H 1 4.039 0.030 . 1 . . . . . 45 ARG HA . 15674 1 575 . 1 1 63 63 ARG HB2 H 1 1.840 0.030 . 2 . . . . . 45 ARG HB2 . 15674 1 576 . 1 1 63 63 ARG HB3 H 1 1.840 0.030 . 2 . . . . . 45 ARG HB3 . 15674 1 577 . 1 1 63 63 ARG HD3 H 1 3.169 0.030 . 2 . . . . . 45 ARG HD3 . 15674 1 578 . 1 1 63 63 ARG HG2 H 1 1.690 0.030 . 2 . . . . . 45 ARG HG2 . 15674 1 579 . 1 1 63 63 ARG HG3 H 1 1.690 0.030 . 2 . . . . . 45 ARG HG3 . 15674 1 580 . 1 1 63 63 ARG C C 13 179.101 0.300 . 1 . . . . . 45 ARG C . 15674 1 581 . 1 1 63 63 ARG CA C 13 58.594 0.400 . 1 . . . . . 45 ARG CA . 15674 1 582 . 1 1 63 63 ARG CB C 13 30.197 0.400 . 1 . . . . . 45 ARG CB . 15674 1 583 . 1 1 63 63 ARG CD C 13 43.163 0.400 . 1 . . . . . 45 ARG CD . 15674 1 584 . 1 1 63 63 ARG CG C 13 27.014 0.400 . 1 . . . . . 45 ARG CG . 15674 1 585 . 1 1 63 63 ARG N N 15 118.068 0.400 . 1 . . . . . 45 ARG N . 15674 1 586 . 1 1 64 64 LEU H H 1 7.597 0.030 . 1 . . . . . 46 LEU H . 15674 1 587 . 1 1 64 64 LEU HA H 1 4.024 0.030 . 1 . . . . . 46 LEU HA . 15674 1 588 . 1 1 64 64 LEU HB2 H 1 1.701 0.030 . 2 . . . . . 46 LEU HB2 . 15674 1 589 . 1 1 64 64 LEU HB3 H 1 1.226 0.030 . 2 . . . . . 46 LEU HB3 . 15674 1 590 . 1 1 64 64 LEU HD11 H 1 0.840 0.030 . 2 . . . . . 46 LEU HD1 . 15674 1 591 . 1 1 64 64 LEU HD12 H 1 0.840 0.030 . 2 . . . . . 46 LEU HD1 . 15674 1 592 . 1 1 64 64 LEU HD13 H 1 0.840 0.030 . 2 . . . . . 46 LEU HD1 . 15674 1 593 . 1 1 64 64 LEU HD21 H 1 0.728 0.030 . 2 . . . . . 46 LEU HD2 . 15674 1 594 . 1 1 64 64 LEU HD22 H 1 0.728 0.030 . 2 . . . . . 46 LEU HD2 . 15674 1 595 . 1 1 64 64 LEU HD23 H 1 0.728 0.030 . 2 . . . . . 46 LEU HD2 . 15674 1 596 . 1 1 64 64 LEU HG H 1 1.586 0.030 . 1 . . . . . 46 LEU HG . 15674 1 597 . 1 1 64 64 LEU C C 13 179.054 0.300 . 1 . . . . . 46 LEU C . 15674 1 598 . 1 1 64 64 LEU CA C 13 57.042 0.400 . 1 . . . . . 46 LEU CA . 15674 1 599 . 1 1 64 64 LEU CB C 13 42.225 0.400 . 1 . . . . . 46 LEU CB . 15674 1 600 . 1 1 64 64 LEU CD1 C 13 26.057 0.400 . 1 . . . . . 46 LEU CD1 . 15674 1 601 . 1 1 64 64 LEU CD2 C 13 23.237 0.400 . 1 . . . . . 46 LEU CD2 . 15674 1 602 . 1 1 64 64 LEU CG C 13 27.106 0.400 . 1 . . . . . 46 LEU CG . 15674 1 603 . 1 1 64 64 LEU N N 15 118.428 0.400 . 1 . . . . . 46 LEU N . 15674 1 604 . 1 1 65 65 VAL H H 1 7.009 0.030 . 1 . . . . . 47 VAL H . 15674 1 605 . 1 1 65 65 VAL HA H 1 3.428 0.030 . 1 . . . . . 47 VAL HA . 15674 1 606 . 1 1 65 65 VAL HB H 1 2.043 0.030 . 1 . . . . . 47 VAL HB . 15674 1 607 . 1 1 65 65 VAL HG11 H 1 0.829 0.030 . 2 . . . . . 47 VAL HG1 . 15674 1 608 . 1 1 65 65 VAL HG12 H 1 0.829 0.030 . 2 . . . . . 47 VAL HG1 . 15674 1 609 . 1 1 65 65 VAL HG13 H 1 0.829 0.030 . 2 . . . . . 47 VAL HG1 . 15674 1 610 . 1 1 65 65 VAL HG21 H 1 0.677 0.030 . 2 . . . . . 47 VAL HG2 . 15674 1 611 . 1 1 65 65 VAL HG22 H 1 0.677 0.030 . 2 . . . . . 47 VAL HG2 . 15674 1 612 . 1 1 65 65 VAL HG23 H 1 0.677 0.030 . 2 . . . . . 47 VAL HG2 . 15674 1 613 . 1 1 65 65 VAL C C 13 177.327 0.300 . 1 . . . . . 47 VAL C . 15674 1 614 . 1 1 65 65 VAL CA C 13 65.262 0.400 . 1 . . . . . 47 VAL CA . 15674 1 615 . 1 1 65 65 VAL CB C 13 31.991 0.400 . 1 . . . . . 47 VAL CB . 15674 1 616 . 1 1 65 65 VAL CG1 C 13 21.426 0.400 . 1 . . . . . 47 VAL CG1 . 15674 1 617 . 1 1 65 65 VAL CG2 C 13 21.807 0.400 . 1 . . . . . 47 VAL CG2 . 15674 1 618 . 1 1 65 65 VAL N N 15 118.745 0.400 . 1 . . . . . 47 VAL N . 15674 1 619 . 1 1 66 66 MET H H 1 7.797 0.030 . 1 . . . . . 48 MET H . 15674 1 620 . 1 1 66 66 MET HA H 1 4.128 0.030 . 1 . . . . . 48 MET HA . 15674 1 621 . 1 1 66 66 MET HB2 H 1 2.057 0.030 . 2 . . . . . 48 MET HB2 . 15674 1 622 . 1 1 66 66 MET HB3 H 1 1.989 0.030 . 2 . . . . . 48 MET HB3 . 15674 1 623 . 1 1 66 66 MET HG2 H 1 2.581 0.030 . 2 . . . . . 48 MET HG2 . 15674 1 624 . 1 1 66 66 MET HG3 H 1 2.508 0.030 . 2 . . . . . 48 MET HG3 . 15674 1 625 . 1 1 66 66 MET C C 13 177.200 0.300 . 1 . . . . . 48 MET C . 15674 1 626 . 1 1 66 66 MET CA C 13 58.091 0.400 . 1 . . . . . 48 MET CA . 15674 1 627 . 1 1 66 66 MET CB C 13 32.707 0.400 . 1 . . . . . 48 MET CB . 15674 1 628 . 1 1 66 66 MET CG C 13 31.981 0.400 . 1 . . . . . 48 MET CG . 15674 1 629 . 1 1 66 66 MET N N 15 119.305 0.400 . 1 . . . . . 48 MET N . 15674 1 630 . 1 1 67 67 ALA H H 1 7.776 0.030 . 1 . . . . . 49 ALA H . 15674 1 631 . 1 1 67 67 ALA HA H 1 4.152 0.030 . 1 . . . . . 49 ALA HA . 15674 1 632 . 1 1 67 67 ALA HB1 H 1 1.387 0.030 . 1 . . . . . 49 ALA HB . 15674 1 633 . 1 1 67 67 ALA HB2 H 1 1.387 0.030 . 1 . . . . . 49 ALA HB . 15674 1 634 . 1 1 67 67 ALA HB3 H 1 1.387 0.030 . 1 . . . . . 49 ALA HB . 15674 1 635 . 1 1 67 67 ALA C C 13 178.773 0.300 . 1 . . . . . 49 ALA C . 15674 1 636 . 1 1 67 67 ALA CA C 13 53.883 0.400 . 1 . . . . . 49 ALA CA . 15674 1 637 . 1 1 67 67 ALA CB C 13 18.479 0.400 . 1 . . . . . 49 ALA CB . 15674 1 638 . 1 1 67 67 ALA N N 15 120.020 0.400 . 1 . . . . . 49 ALA N . 15674 1 639 . 1 1 68 68 TYR H H 1 7.358 0.030 . 1 . . . . . 50 TYR H . 15674 1 640 . 1 1 68 68 TYR HA H 1 4.244 0.030 . 1 . . . . . 50 TYR HA . 15674 1 641 . 1 1 68 68 TYR HB2 H 1 3.005 0.030 . 2 . . . . . 50 TYR HB2 . 15674 1 642 . 1 1 68 68 TYR HB3 H 1 3.005 0.030 . 2 . . . . . 50 TYR HB3 . 15674 1 643 . 1 1 68 68 TYR HD1 H 1 6.974 0.030 . 1 . . . . . 50 TYR HD1 . 15674 1 644 . 1 1 68 68 TYR HD2 H 1 6.974 0.030 . 1 . . . . . 50 TYR HD2 . 15674 1 645 . 1 1 68 68 TYR HE1 H 1 6.667 0.030 . 1 . . . . . 50 TYR HE1 . 15674 1 646 . 1 1 68 68 TYR HE2 H 1 6.667 0.030 . 1 . . . . . 50 TYR HE2 . 15674 1 647 . 1 1 68 68 TYR C C 13 174.200 0.300 . 1 . . . . . 50 TYR C . 15674 1 648 . 1 1 68 68 TYR CA C 13 60.296 0.400 . 1 . . . . . 50 TYR CA . 15674 1 649 . 1 1 68 68 TYR CB C 13 38.645 0.400 . 1 . . . . . 50 TYR CB . 15674 1 650 . 1 1 68 68 TYR CD1 C 13 133.107 0.400 . 1 . . . . . 50 TYR CD1 . 15674 1 651 . 1 1 68 68 TYR CE1 C 13 118.150 0.400 . 1 . . . . . 50 TYR CE1 . 15674 1 652 . 1 1 68 68 TYR N N 15 118.846 0.400 . 1 . . . . . 50 TYR N . 15674 1 653 . 1 1 69 69 GLU H H 1 8.137 0.030 . 1 . . . . . 51 GLU H . 15674 1 654 . 1 1 69 69 GLU HA H 1 4.150 0.030 . 1 . . . . . 51 GLU HA . 15674 1 655 . 1 1 69 69 GLU HB2 H 1 1.995 0.030 . 2 . . . . . 51 GLU HB2 . 15674 1 656 . 1 1 69 69 GLU HB3 H 1 1.995 0.030 . 2 . . . . . 51 GLU HB3 . 15674 1 657 . 1 1 69 69 GLU HG2 H 1 2.322 0.030 . 2 . . . . . 51 GLU HG2 . 15674 1 658 . 1 1 69 69 GLU HG3 H 1 2.219 0.030 . 2 . . . . . 51 GLU HG3 . 15674 1 659 . 1 1 69 69 GLU C C 13 178.600 0.300 . 1 . . . . . 51 GLU C . 15674 1 660 . 1 1 69 69 GLU CA C 13 57.263 0.400 . 1 . . . . . 51 GLU CA . 15674 1 661 . 1 1 69 69 GLU CB C 13 30.292 0.400 . 1 . . . . . 51 GLU CB . 15674 1 662 . 1 1 69 69 GLU CG C 13 36.482 0.400 . 1 . . . . . 51 GLU CG . 15674 1 663 . 1 1 69 69 GLU N N 15 120.386 0.400 . 1 . . . . . 51 GLU N . 15674 1 664 . 1 1 70 70 GLU H H 1 8.255 0.030 . 1 . . . . . 52 GLU H . 15674 1 665 . 1 1 70 70 GLU HA H 1 4.086 0.030 . 1 . . . . . 52 GLU HA . 15674 1 666 . 1 1 70 70 GLU HB2 H 1 2.009 0.030 . 2 . . . . . 52 GLU HB2 . 15674 1 667 . 1 1 70 70 GLU HB3 H 1 1.862 0.030 . 2 . . . . . 52 GLU HB3 . 15674 1 668 . 1 1 70 70 GLU HG2 H 1 2.171 0.030 . 2 . . . . . 52 GLU HG2 . 15674 1 669 . 1 1 70 70 GLU HG3 H 1 2.171 0.030 . 2 . . . . . 52 GLU HG3 . 15674 1 670 . 1 1 70 70 GLU CA C 13 58.032 0.400 . 1 . . . . . 52 GLU CA . 15674 1 671 . 1 1 70 70 GLU CB C 13 31.242 0.400 . 1 . . . . . 52 GLU CB . 15674 1 672 . 1 1 70 70 GLU CG C 13 36.677 0.400 . 1 . . . . . 52 GLU CG . 15674 1 673 . 1 1 70 70 GLU N N 15 118.309 0.400 . 1 . . . . . 52 GLU N . 15674 1 674 . 1 1 71 71 LYS HA H 1 4.253 0.030 . 1 . . . . . 53 LYS HA . 15674 1 675 . 1 1 71 71 LYS HB2 H 1 1.816 0.030 . 2 . . . . . 53 LYS HB2 . 15674 1 676 . 1 1 71 71 LYS HB3 H 1 1.739 0.030 . 2 . . . . . 53 LYS HB3 . 15674 1 677 . 1 1 71 71 LYS HD2 H 1 1.627 0.030 . 2 . . . . . 53 LYS HD2 . 15674 1 678 . 1 1 71 71 LYS HD3 H 1 1.627 0.030 . 2 . . . . . 53 LYS HD3 . 15674 1 679 . 1 1 71 71 LYS HE2 H 1 2.956 0.030 . 2 . . . . . 53 LYS HE2 . 15674 1 680 . 1 1 71 71 LYS HE3 H 1 2.956 0.030 . 2 . . . . . 53 LYS HE3 . 15674 1 681 . 1 1 71 71 LYS HG2 H 1 1.410 0.030 . 2 . . . . . 53 LYS HG2 . 15674 1 682 . 1 1 71 71 LYS HG3 H 1 1.377 0.030 . 2 . . . . . 53 LYS HG3 . 15674 1 683 . 1 1 71 71 LYS C C 13 176.300 0.300 . 1 . . . . . 53 LYS C . 15674 1 684 . 1 1 71 71 LYS CA C 13 56.393 0.400 . 1 . . . . . 53 LYS CA . 15674 1 685 . 1 1 71 71 LYS CB C 13 33.142 0.400 . 1 . . . . . 53 LYS CB . 15674 1 686 . 1 1 71 71 LYS CD C 13 29.114 0.400 . 1 . . . . . 53 LYS CD . 15674 1 687 . 1 1 71 71 LYS CE C 13 42.081 0.400 . 1 . . . . . 53 LYS CE . 15674 1 688 . 1 1 71 71 LYS CG C 13 24.549 0.400 . 1 . . . . . 53 LYS CG . 15674 1 689 . 1 1 72 72 GLU H H 1 8.143 0.030 . 1 . . . . . 54 GLU H . 15674 1 690 . 1 1 72 72 GLU HA H 1 4.260 0.030 . 1 . . . . . 54 GLU HA . 15674 1 691 . 1 1 72 72 GLU HB2 H 1 1.831 0.030 . 2 . . . . . 54 GLU HB2 . 15674 1 692 . 1 1 72 72 GLU HB3 H 1 1.831 0.030 . 2 . . . . . 54 GLU HB3 . 15674 1 693 . 1 1 72 72 GLU HG2 H 1 2.146 0.030 . 2 . . . . . 54 GLU HG2 . 15674 1 694 . 1 1 72 72 GLU HG3 H 1 2.146 0.030 . 2 . . . . . 54 GLU HG3 . 15674 1 695 . 1 1 72 72 GLU C C 13 177.900 0.300 . 1 . . . . . 54 GLU C . 15674 1 696 . 1 1 72 72 GLU CA C 13 56.430 0.400 . 1 . . . . . 54 GLU CA . 15674 1 697 . 1 1 72 72 GLU CB C 13 30.774 0.400 . 1 . . . . . 54 GLU CB . 15674 1 698 . 1 1 72 72 GLU CG C 13 36.234 0.400 . 1 . . . . . 54 GLU CG . 15674 1 699 . 1 1 72 72 GLU N N 15 122.092 0.400 . 1 . . . . . 54 GLU N . 15674 1 700 . 1 1 73 73 GLU H H 1 8.293 0.030 . 1 . . . . . 55 GLU H . 15674 1 701 . 1 1 73 73 GLU HA H 1 3.715 0.030 . 1 . . . . . 55 GLU HA . 15674 1 702 . 1 1 73 73 GLU HB2 H 1 1.832 0.030 . 2 . . . . . 55 GLU HB2 . 15674 1 703 . 1 1 73 73 GLU HB3 H 1 1.832 0.030 . 2 . . . . . 55 GLU HB3 . 15674 1 704 . 1 1 73 73 GLU HG2 H 1 2.352 0.030 . 2 . . . . . 55 GLU HG2 . 15674 1 705 . 1 1 73 73 GLU HG3 H 1 2.352 0.030 . 2 . . . . . 55 GLU HG3 . 15674 1 706 . 1 1 73 73 GLU CA C 13 55.556 0.400 . 1 . . . . . 55 GLU CA . 15674 1 707 . 1 1 73 73 GLU CB C 13 34.390 0.400 . 1 . . . . . 55 GLU CB . 15674 1 708 . 1 1 73 73 GLU CG C 13 31.202 0.400 . 1 . . . . . 55 GLU CG . 15674 1 709 . 1 1 73 73 GLU N N 15 120.875 0.400 . 1 . . . . . 55 GLU N . 15674 1 stop_ save_