################################### # 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_L7Ae_complex _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_L7Ae_complex _Assigned_chem_shift_list.Entry_ID 19908 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19908 1 2 '2D 1H-13C HSQC' . . . 19908 1 3 '3D HNCO' . . . 19908 1 4 '3D HNCA' . . . 19908 1 5 '3D HNCACB' . . . 19908 1 6 '3D CBCA(CO)NH' . . . 19908 1 7 '3D HN(CO)CA' . . . 19908 1 8 '3D 15N-TOCSY-HSQC' . . . 19908 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 5 5 MET H H 1 8.193 0.010 . 1 . . . . . 1 Met H . 19908 1 2 . 1 1 5 5 MET HA H 1 4.776 0.000 . 1 . . . . . 1 Met HA . 19908 1 3 . 1 1 5 5 MET C C 13 175.156 0.000 . 1 . . . . . 1 Met C . 19908 1 4 . 1 1 5 5 MET CA C 13 54.859 0.000 . 1 . . . . . 1 Met CA . 19908 1 5 . 1 1 5 5 MET CB C 13 33.783 0.000 . 1 . . . . . 1 Met CB . 19908 1 6 . 1 1 5 5 MET N N 15 122.791 0.021 . 1 . . . . . 1 Met N . 19908 1 7 . 1 1 6 6 ALA H H 1 8.392 0.009 . 1 . . . . . 2 Ala H . 19908 1 8 . 1 1 6 6 ALA HA H 1 4.774 0.000 . 1 . . . . . 2 Ala HA . 19908 1 9 . 1 1 6 6 ALA C C 13 179.017 0.000 . 1 . . . . . 2 Ala C . 19908 1 10 . 1 1 6 6 ALA CA C 13 52.120 0.000 . 1 . . . . . 2 Ala CA . 19908 1 11 . 1 1 6 6 ALA CB C 13 19.611 0.000 . 1 . . . . . 2 Ala CB . 19908 1 12 . 1 1 6 6 ALA N N 15 125.982 0.014 . 1 . . . . . 2 Ala N . 19908 1 13 . 1 1 7 7 VAL H H 1 8.789 0.006 . 1 . . . . . 3 Val H . 19908 1 14 . 1 1 7 7 VAL HA H 1 3.770 0.000 . 1 . . . . . 3 Val HA . 19908 1 15 . 1 1 7 7 VAL CA C 13 64.742 0.006 . 1 . . . . . 3 Val CA . 19908 1 16 . 1 1 7 7 VAL CB C 13 31.568 0.000 . 1 . . . . . 3 Val CB . 19908 1 17 . 1 1 7 7 VAL N N 15 120.708 0.005 . 1 . . . . . 3 Val N . 19908 1 18 . 1 1 8 8 TYR C C 13 174.396 0.000 . 1 . . . . . 4 Tyr C . 19908 1 19 . 1 1 8 8 TYR CA C 13 57.100 0.000 . 1 . . . . . 4 Tyr CA . 19908 1 20 . 1 1 8 8 TYR CB C 13 38.070 0.000 . 1 . . . . . 4 Tyr CB . 19908 1 21 . 1 1 9 9 VAL H H 1 7.208 0.005 . 1 . . . . . 5 Val H . 19908 1 22 . 1 1 9 9 VAL HA H 1 3.085 0.000 . 1 . . . . . 5 Val HA . 19908 1 23 . 1 1 9 9 VAL C C 13 174.481 0.000 . 1 . . . . . 5 Val C . 19908 1 24 . 1 1 9 9 VAL CA C 13 62.085 0.006 . 1 . . . . . 5 Val CA . 19908 1 25 . 1 1 9 9 VAL CB C 13 29.823 0.000 . 1 . . . . . 5 Val CB . 19908 1 26 . 1 1 9 9 VAL N N 15 126.316 0.025 . 1 . . . . . 5 Val N . 19908 1 27 . 1 1 10 10 LYS H H 1 7.661 0.005 . 1 . . . . . 6 Lys H . 19908 1 28 . 1 1 10 10 LYS C C 13 175.387 0.000 . 1 . . . . . 6 Lys C . 19908 1 29 . 1 1 10 10 LYS CA C 13 56.748 0.041 . 1 . . . . . 6 Lys CA . 19908 1 30 . 1 1 10 10 LYS CB C 13 32.684 0.000 . 1 . . . . . 6 Lys CB . 19908 1 31 . 1 1 10 10 LYS N N 15 122.306 0.062 . 1 . . . . . 6 Lys N . 19908 1 32 . 1 1 11 11 PHE H H 1 6.862 0.014 . 1 . . . . . 7 Phe H . 19908 1 33 . 1 1 11 11 PHE HA H 1 4.661 0.000 . 1 . . . . . 7 Phe HA . 19908 1 34 . 1 1 11 11 PHE C C 13 172.188 0.000 . 1 . . . . . 7 Phe C . 19908 1 35 . 1 1 11 11 PHE CA C 13 55.037 0.000 . 1 . . . . . 7 Phe CA . 19908 1 36 . 1 1 11 11 PHE CB C 13 39.419 0.000 . 1 . . . . . 7 Phe CB . 19908 1 37 . 1 1 11 11 PHE N N 15 112.417 0.021 . 1 . . . . . 7 Phe N . 19908 1 38 . 1 1 12 12 LYS H H 1 8.467 0.008 . 1 . . . . . 8 Lys H . 19908 1 39 . 1 1 12 12 LYS HA H 1 4.409 0.000 . 1 . . . . . 8 Lys HA . 19908 1 40 . 1 1 12 12 LYS C C 13 176.082 0.000 . 1 . . . . . 8 Lys C . 19908 1 41 . 1 1 12 12 LYS CA C 13 54.511 0.006 . 1 . . . . . 8 Lys CA . 19908 1 42 . 1 1 12 12 LYS CB C 13 33.003 0.000 . 1 . . . . . 8 Lys CB . 19908 1 43 . 1 1 12 12 LYS N N 15 118.731 0.018 . 1 . . . . . 8 Lys N . 19908 1 44 . 1 1 13 13 VAL H H 1 9.183 0.011 . 1 . . . . . 9 Val H . 19908 1 45 . 1 1 13 13 VAL HA H 1 4.423 0.000 . 1 . . . . . 9 Val HA . 19908 1 46 . 1 1 13 13 VAL CA C 13 59.234 0.004 . 1 . . . . . 9 Val CA . 19908 1 47 . 1 1 13 13 VAL CB C 13 32.472 0.000 . 1 . . . . . 9 Val CB . 19908 1 48 . 1 1 13 13 VAL N N 15 127.150 0.006 . 1 . . . . . 9 Val N . 19908 1 49 . 1 1 14 14 PRO C C 13 177.781 0.000 . 1 . . . . . 10 Pro C . 19908 1 50 . 1 1 14 14 PRO CA C 13 63.239 0.000 . 1 . . . . . 10 Pro CA . 19908 1 51 . 1 1 14 14 PRO CB C 13 33.008 0.000 . 1 . . . . . 10 Pro CB . 19908 1 52 . 1 1 15 15 GLU H H 1 9.404 0.005 . 1 . . . . . 11 Glu H . 19908 1 53 . 1 1 15 15 GLU HA H 1 4.761 0.000 . 1 . . . . . 11 Glu HA . 19908 1 54 . 1 1 15 15 GLU C C 13 177.963 0.000 . 1 . . . . . 11 Glu C . 19908 1 55 . 1 1 15 15 GLU CA C 13 61.225 0.000 . 1 . . . . . 11 Glu CA . 19908 1 56 . 1 1 15 15 GLU CB C 13 29.434 0.000 . 1 . . . . . 11 Glu CB . 19908 1 57 . 1 1 15 15 GLU N N 15 125.510 0.004 . 1 . . . . . 11 Glu N . 19908 1 58 . 1 1 16 16 GLU H H 1 9.696 0.012 . 1 . . . . . 12 Glu H . 19908 1 59 . 1 1 16 16 GLU HA H 1 4.769 0.000 . 1 . . . . . 12 Glu HA . 19908 1 60 . 1 1 16 16 GLU C C 13 179.045 0.000 . 1 . . . . . 12 Glu C . 19908 1 61 . 1 1 16 16 GLU CA C 13 60.025 0.000 . 1 . . . . . 12 Glu CA . 19908 1 62 . 1 1 16 16 GLU CB C 13 28.405 0.000 . 1 . . . . . 12 Glu CB . 19908 1 63 . 1 1 16 16 GLU N N 15 117.912 0.018 . 1 . . . . . 12 Glu N . 19908 1 64 . 1 1 17 17 ILE H H 1 6.970 0.008 . 1 . . . . . 13 Ile H . 19908 1 65 . 1 1 17 17 ILE HA H 1 4.762 0.000 . 1 . . . . . 13 Ile HA . 19908 1 66 . 1 1 17 17 ILE C C 13 177.829 0.000 . 1 . . . . . 13 Ile C . 19908 1 67 . 1 1 17 17 ILE CA C 13 62.985 0.000 . 1 . . . . . 13 Ile CA . 19908 1 68 . 1 1 17 17 ILE CB C 13 36.957 0.000 . 1 . . . . . 13 Ile CB . 19908 1 69 . 1 1 17 17 ILE N N 15 118.236 0.007 . 1 . . . . . 13 Ile N . 19908 1 70 . 1 1 18 18 GLN H H 1 8.176 0.003 . 1 . . . . . 14 Gln H . 19908 1 71 . 1 1 18 18 GLN C C 13 178.054 0.000 . 1 . . . . . 14 Gln C . 19908 1 72 . 1 1 18 18 GLN CA C 13 60.778 0.000 . 1 . . . . . 14 Gln CA . 19908 1 73 . 1 1 18 18 GLN CB C 13 26.955 0.000 . 1 . . . . . 14 Gln CB . 19908 1 74 . 1 1 18 18 GLN N N 15 121.408 0.003 . 1 . . . . . 14 Gln N . 19908 1 75 . 1 1 19 19 LYS H H 1 7.808 0.005 . 1 . . . . . 15 Lys H . 19908 1 76 . 1 1 19 19 LYS C C 13 178.788 0.000 . 1 . . . . . 15 Lys C . 19908 1 77 . 1 1 19 19 LYS CA C 13 59.818 0.000 . 1 . . . . . 15 Lys CA . 19908 1 78 . 1 1 19 19 LYS CB C 13 31.797 0.000 . 1 . . . . . 15 Lys CB . 19908 1 79 . 1 1 19 19 LYS N N 15 116.788 0.009 . 1 . . . . . 15 Lys N . 19908 1 80 . 1 1 20 20 GLU H H 1 7.076 0.008 . 1 . . . . . 16 Glu H . 19908 1 81 . 1 1 20 20 GLU HA H 1 4.037 0.000 . 1 . . . . . 16 Glu HA . 19908 1 82 . 1 1 20 20 GLU C C 13 180.052 0.000 . 1 . . . . . 16 Glu C . 19908 1 83 . 1 1 20 20 GLU CA C 13 59.674 0.004 . 1 . . . . . 16 Glu CA . 19908 1 84 . 1 1 20 20 GLU CB C 13 29.970 0.000 . 1 . . . . . 16 Glu CB . 19908 1 85 . 1 1 20 20 GLU N N 15 118.805 0.057 . 1 . . . . . 16 Glu N . 19908 1 86 . 1 1 21 21 LEU H H 1 8.473 0.009 . 1 . . . . . 17 Leu H . 19908 1 87 . 1 1 21 21 LEU HA H 1 3.873 0.000 . 1 . . . . . 17 Leu HA . 19908 1 88 . 1 1 21 21 LEU C C 13 179.347 0.000 . 1 . . . . . 17 Leu C . 19908 1 89 . 1 1 21 21 LEU CA C 13 58.226 0.020 . 1 . . . . . 17 Leu CA . 19908 1 90 . 1 1 21 21 LEU CB C 13 41.529 0.000 . 1 . . . . . 17 Leu CB . 19908 1 91 . 1 1 21 21 LEU N N 15 122.054 0.035 . 1 . . . . . 17 Leu N . 19908 1 92 . 1 1 22 22 LEU H H 1 7.746 0.010 . 1 . . . . . 18 Leu H . 19908 1 93 . 1 1 22 22 LEU HA H 1 3.996 0.000 . 1 . . . . . 18 Leu HA . 19908 1 94 . 1 1 22 22 LEU C C 13 179.716 0.000 . 1 . . . . . 18 Leu C . 19908 1 95 . 1 1 22 22 LEU CA C 13 58.243 0.006 . 1 . . . . . 18 Leu CA . 19908 1 96 . 1 1 22 22 LEU CB C 13 41.141 0.000 . 1 . . . . . 18 Leu CB . 19908 1 97 . 1 1 22 22 LEU N N 15 118.563 0.036 . 1 . . . . . 18 Leu N . 19908 1 98 . 1 1 23 23 ASP H H 1 8.152 0.005 . 1 . . . . . 19 Asp H . 19908 1 99 . 1 1 23 23 ASP HA H 1 4.357 0.000 . 1 . . . . . 19 Asp HA . 19908 1 100 . 1 1 23 23 ASP C C 13 177.919 0.000 . 1 . . . . . 19 Asp C . 19908 1 101 . 1 1 23 23 ASP CA C 13 57.150 0.000 . 1 . . . . . 19 Asp CA . 19908 1 102 . 1 1 23 23 ASP CB C 13 40.651 0.000 . 1 . . . . . 19 Asp CB . 19908 1 103 . 1 1 23 23 ASP N N 15 120.165 0.058 . 1 . . . . . 19 Asp N . 19908 1 104 . 1 1 24 24 ALA H H 1 7.888 0.009 . 1 . . . . . 20 Ala H . 19908 1 105 . 1 1 24 24 ALA HA H 1 3.966 0.000 . 1 . . . . . 20 Ala HA . 19908 1 106 . 1 1 24 24 ALA C C 13 180.514 0.000 . 1 . . . . . 20 Ala C . 19908 1 107 . 1 1 24 24 ALA CA C 13 54.832 0.001 . 1 . . . . . 20 Ala CA . 19908 1 108 . 1 1 24 24 ALA CB C 13 16.860 0.000 . 1 . . . . . 20 Ala CB . 19908 1 109 . 1 1 24 24 ALA N N 15 121.448 0.088 . 1 . . . . . 20 Ala N . 19908 1 110 . 1 1 25 25 VAL H H 1 7.679 0.002 . 1 . . . . . 21 Val H . 19908 1 111 . 1 1 25 25 VAL HA H 1 3.147 0.000 . 1 . . . . . 21 Val HA . 19908 1 112 . 1 1 25 25 VAL C C 13 177.036 0.000 . 1 . . . . . 21 Val C . 19908 1 113 . 1 1 25 25 VAL CA C 13 67.082 0.041 . 1 . . . . . 21 Val CA . 19908 1 114 . 1 1 25 25 VAL CB C 13 31.521 0.000 . 1 . . . . . 21 Val CB . 19908 1 115 . 1 1 25 25 VAL N N 15 118.204 0.111 . 1 . . . . . 21 Val N . 19908 1 116 . 1 1 26 26 ALA H H 1 7.805 0.005 . 1 . . . . . 22 Ala H . 19908 1 117 . 1 1 26 26 ALA HA H 1 4.236 0.000 . 1 . . . . . 22 Ala HA . 19908 1 118 . 1 1 26 26 ALA C C 13 179.400 0.000 . 1 . . . . . 22 Ala C . 19908 1 119 . 1 1 26 26 ALA CA C 13 54.732 0.031 . 1 . . . . . 22 Ala CA . 19908 1 120 . 1 1 26 26 ALA CB C 13 18.449 0.028 . 1 . . . . . 22 Ala CB . 19908 1 121 . 1 1 26 26 ALA N N 15 121.208 0.066 . 1 . . . . . 22 Ala N . 19908 1 122 . 1 1 27 27 LYS H H 1 7.655 0.003 . 1 . . . . . 23 Lys H . 19908 1 123 . 1 1 27 27 LYS HA H 1 4.326 0.000 . 1 . . . . . 23 Lys HA . 19908 1 124 . 1 1 27 27 LYS C C 13 175.707 0.000 . 1 . . . . . 23 Lys C . 19908 1 125 . 1 1 27 27 LYS CA C 13 55.573 0.009 . 1 . . . . . 23 Lys CA . 19908 1 126 . 1 1 27 27 LYS CB C 13 32.918 0.000 . 1 . . . . . 23 Lys CB . 19908 1 127 . 1 1 27 27 LYS N N 15 113.979 0.025 . 1 . . . . . 23 Lys N . 19908 1 128 . 1 1 28 28 ALA H H 1 7.165 0.005 . 1 . . . . . 24 Ala H . 19908 1 129 . 1 1 28 28 ALA HA H 1 4.010 0.000 . 1 . . . . . 24 Ala HA . 19908 1 130 . 1 1 28 28 ALA C C 13 177.195 0.000 . 1 . . . . . 24 Ala C . 19908 1 131 . 1 1 28 28 ALA CA C 13 52.989 0.020 . 1 . . . . . 24 Ala CA . 19908 1 132 . 1 1 28 28 ALA CB C 13 19.252 0.000 . 1 . . . . . 24 Ala CB . 19908 1 133 . 1 1 28 28 ALA N N 15 122.755 0.006 . 1 . . . . . 24 Ala N . 19908 1 134 . 1 1 29 29 GLN H H 1 7.542 0.001 . 1 . . . . . 25 Gln H . 19908 1 135 . 1 1 29 29 GLN HA H 1 4.218 0.000 . 1 . . . . . 25 Gln HA . 19908 1 136 . 1 1 29 29 GLN C C 13 176.855 0.000 . 1 . . . . . 25 Gln C . 19908 1 137 . 1 1 29 29 GLN CA C 13 57.406 0.007 . 1 . . . . . 25 Gln CA . 19908 1 138 . 1 1 29 29 GLN CB C 13 29.709 0.000 . 1 . . . . . 25 Gln CB . 19908 1 139 . 1 1 29 29 GLN N N 15 120.100 0.096 . 1 . . . . . 25 Gln N . 19908 1 140 . 1 1 30 30 LYS H H 1 8.257 0.009 . 1 . . . . . 26 Lys H . 19908 1 141 . 1 1 30 30 LYS HA H 1 4.782 0.000 . 1 . . . . . 26 Lys HA . 19908 1 142 . 1 1 30 30 LYS C C 13 175.390 0.000 . 1 . . . . . 26 Lys C . 19908 1 143 . 1 1 30 30 LYS CA C 13 56.326 0.000 . 1 . . . . . 26 Lys CA . 19908 1 144 . 1 1 30 30 LYS CB C 13 35.958 0.000 . 1 . . . . . 26 Lys CB . 19908 1 145 . 1 1 30 30 LYS N N 15 117.056 0.002 . 1 . . . . . 26 Lys N . 19908 1 146 . 1 1 31 31 ILE H H 1 9.088 0.010 . 1 . . . . . 27 Ile H . 19908 1 147 . 1 1 31 31 ILE HA H 1 5.220 0.000 . 1 . . . . . 27 Ile HA . 19908 1 148 . 1 1 31 31 ILE C C 13 174.518 0.000 . 1 . . . . . 27 Ile C . 19908 1 149 . 1 1 31 31 ILE CA C 13 59.432 0.006 . 1 . . . . . 27 Ile CA . 19908 1 150 . 1 1 31 31 ILE CB C 13 42.103 0.000 . 1 . . . . . 27 Ile CB . 19908 1 151 . 1 1 31 31 ILE N N 15 122.654 0.057 . 1 . . . . . 27 Ile N . 19908 1 152 . 1 1 32 32 LYS H H 1 8.712 0.013 . 1 . . . . . 28 Lys H . 19908 1 153 . 1 1 32 32 LYS HA H 1 4.883 0.000 . 1 . . . . . 28 Lys HA . 19908 1 154 . 1 1 32 32 LYS C C 13 174.645 0.000 . 1 . . . . . 28 Lys C . 19908 1 155 . 1 1 32 32 LYS CA C 13 53.130 0.000 . 1 . . . . . 28 Lys CA . 19908 1 156 . 1 1 32 32 LYS N N 15 117.639 0.006 . 1 . . . . . 28 Lys N . 19908 1 157 . 1 1 33 33 LYS H H 1 9.544 0.006 . 1 . . . . . 29 Lys H . 19908 1 158 . 1 1 33 33 LYS HA H 1 4.621 0.000 . 1 . . . . . 29 Lys HA . 19908 1 159 . 1 1 33 33 LYS C C 13 173.016 0.000 . 1 . . . . . 29 Lys C . 19908 1 160 . 1 1 33 33 LYS CA C 13 55.044 0.041 . 1 . . . . . 29 Lys CA . 19908 1 161 . 1 1 33 33 LYS CB C 13 34.074 0.000 . 1 . . . . . 29 Lys CB . 19908 1 162 . 1 1 33 33 LYS N N 15 122.094 0.021 . 1 . . . . . 29 Lys N . 19908 1 163 . 1 1 34 34 GLY H H 1 7.367 0.014 . 1 . . . . . 30 Gly H . 19908 1 164 . 1 1 34 34 GLY HA2 H 1 3.891 0.000 . 1 . . . . . 30 Gly HA2 . 19908 1 165 . 1 1 34 34 GLY HA3 H 1 4.162 0.000 . 1 . . . . . 30 Gly HA3 . 19908 1 166 . 1 1 34 34 GLY C C 13 174.334 0.000 . 1 . . . . . 30 Gly C . 19908 1 167 . 1 1 34 34 GLY CA C 13 42.584 0.000 . 1 . . . . . 30 Gly CA . 19908 1 168 . 1 1 34 34 GLY N N 15 107.899 0.016 . 1 . . . . . 30 Gly N . 19908 1 169 . 1 1 35 35 ALA H H 1 9.117 0.005 . 1 . . . . . 31 Ala H . 19908 1 170 . 1 1 35 35 ALA C C 13 181.133 0.000 . 1 . . . . . 31 Ala C . 19908 1 171 . 1 1 35 35 ALA CA C 13 56.034 0.000 . 1 . . . . . 31 Ala CA . 19908 1 172 . 1 1 35 35 ALA CB C 13 18.483 0.000 . 1 . . . . . 31 Ala CB . 19908 1 173 . 1 1 35 35 ALA N N 15 123.925 0.077 . 1 . . . . . 31 Ala N . 19908 1 174 . 1 1 36 36 ASN H H 1 8.877 0.004 . 1 . . . . . 32 Asn H . 19908 1 175 . 1 1 36 36 ASN HA H 1 4.583 0.000 . 1 . . . . . 32 Asn HA . 19908 1 176 . 1 1 36 36 ASN C C 13 177.908 0.000 . 1 . . . . . 32 Asn C . 19908 1 177 . 1 1 36 36 ASN CA C 13 56.792 0.014 . 1 . . . . . 32 Asn CA . 19908 1 178 . 1 1 36 36 ASN CB C 13 38.241 0.000 . 1 . . . . . 32 Asn CB . 19908 1 179 . 1 1 36 36 ASN N N 15 120.224 0.007 . 1 . . . . . 32 Asn N . 19908 1 180 . 1 1 37 37 GLU H H 1 8.574 0.003 . 1 . . . . . 33 Glu H . 19908 1 181 . 1 1 37 37 GLU HA H 1 4.052 0.000 . 1 . . . . . 33 Glu HA . 19908 1 182 . 1 1 37 37 GLU C C 13 180.155 0.000 . 1 . . . . . 33 Glu C . 19908 1 183 . 1 1 37 37 GLU CA C 13 60.079 0.000 . 1 . . . . . 33 Glu CA . 19908 1 184 . 1 1 37 37 GLU CB C 13 30.499 0.000 . 1 . . . . . 33 Glu CB . 19908 1 185 . 1 1 37 37 GLU N N 15 119.877 0.112 . 1 . . . . . 33 Glu N . 19908 1 186 . 1 1 38 38 VAL H H 1 9.176 0.010 . 1 . . . . . 34 Val H . 19908 1 187 . 1 1 38 38 VAL HA H 1 3.206 0.000 . 1 . . . . . 34 Val HA . 19908 1 188 . 1 1 38 38 VAL C C 13 176.877 0.000 . 1 . . . . . 34 Val C . 19908 1 189 . 1 1 38 38 VAL CA C 13 67.834 0.023 . 1 . . . . . 34 Val CA . 19908 1 190 . 1 1 38 38 VAL CB C 13 31.212 0.000 . 1 . . . . . 34 Val CB . 19908 1 191 . 1 1 38 38 VAL N N 15 122.793 0.035 . 1 . . . . . 34 Val N . 19908 1 192 . 1 1 39 39 THR H H 1 8.046 0.004 . 1 . . . . . 35 Thr H . 19908 1 193 . 1 1 39 39 THR HA H 1 3.504 0.000 . 1 . . . . . 35 Thr HA . 19908 1 194 . 1 1 39 39 THR C C 13 176.254 0.000 . 1 . . . . . 35 Thr C . 19908 1 195 . 1 1 39 39 THR CA C 13 68.595 0.062 . 1 . . . . . 35 Thr CA . 19908 1 196 . 1 1 39 39 THR N N 15 116.558 0.006 . 1 . . . . . 35 Thr N . 19908 1 197 . 1 1 40 40 LYS H H 1 7.885 0.005 . 1 . . . . . 36 Lys H . 19908 1 198 . 1 1 40 40 LYS HA H 1 4.151 0.000 . 1 . . . . . 36 Lys HA . 19908 1 199 . 1 1 40 40 LYS C C 13 178.081 0.000 . 1 . . . . . 36 Lys C . 19908 1 200 . 1 1 40 40 LYS CA C 13 59.759 0.000 . 1 . . . . . 36 Lys CA . 19908 1 201 . 1 1 40 40 LYS CB C 13 32.267 0.000 . 1 . . . . . 36 Lys CB . 19908 1 202 . 1 1 40 40 LYS N N 15 119.238 0.005 . 1 . . . . . 36 Lys N . 19908 1 203 . 1 1 41 41 ALA H H 1 7.916 0.006 . 1 . . . . . 37 Ala H . 19908 1 204 . 1 1 41 41 ALA HA H 1 3.995 0.000 . 1 . . . . . 37 Ala HA . 19908 1 205 . 1 1 41 41 ALA C C 13 179.452 0.000 . 1 . . . . . 37 Ala C . 19908 1 206 . 1 1 41 41 ALA CA C 13 54.471 0.009 . 1 . . . . . 37 Ala CA . 19908 1 207 . 1 1 41 41 ALA CB C 13 17.832 0.000 . 1 . . . . . 37 Ala CB . 19908 1 208 . 1 1 41 41 ALA N N 15 120.757 0.001 . 1 . . . . . 37 Ala N . 19908 1 209 . 1 1 42 42 VAL H H 1 8.015 0.015 . 1 . . . . . 38 Val H . 19908 1 210 . 1 1 42 42 VAL HA H 1 3.503 0.000 . 1 . . . . . 38 Val HA . 19908 1 211 . 1 1 42 42 VAL C C 13 178.642 0.000 . 1 . . . . . 38 Val C . 19908 1 212 . 1 1 42 42 VAL CA C 13 66.365 0.007 . 1 . . . . . 38 Val CA . 19908 1 213 . 1 1 42 42 VAL CB C 13 31.725 0.000 . 1 . . . . . 38 Val CB . 19908 1 214 . 1 1 42 42 VAL N N 15 119.706 0.141 . 1 . . . . . 38 Val N . 19908 1 215 . 1 1 43 43 GLU H H 1 8.662 0.008 . 1 . . . . . 39 Glu H . 19908 1 216 . 1 1 43 43 GLU C C 13 179.213 0.000 . 1 . . . . . 39 Glu C . 19908 1 217 . 1 1 43 43 GLU CA C 13 60.421 0.000 . 1 . . . . . 39 Glu CA . 19908 1 218 . 1 1 43 43 GLU CB C 13 29.508 0.000 . 1 . . . . . 39 Glu CB . 19908 1 219 . 1 1 43 43 GLU N N 15 120.176 0.069 . 1 . . . . . 39 Glu N . 19908 1 220 . 1 1 44 44 ARG H H 1 8.236 0.009 . 1 . . . . . 40 Arg H . 19908 1 221 . 1 1 44 44 ARG HA H 1 4.142 0.000 . 1 . . . . . 40 Arg HA . 19908 1 222 . 1 1 44 44 ARG C C 13 177.100 0.000 . 1 . . . . . 40 Arg C . 19908 1 223 . 1 1 44 44 ARG CA C 13 56.782 0.013 . 1 . . . . . 40 Arg CA . 19908 1 224 . 1 1 44 44 ARG CB C 13 31.025 0.000 . 1 . . . . . 40 Arg CB . 19908 1 225 . 1 1 44 44 ARG N N 15 114.159 0.059 . 1 . . . . . 40 Arg N . 19908 1 226 . 1 1 45 45 GLY H H 1 7.880 0.006 . 1 . . . . . 41 Gly H . 19908 1 227 . 1 1 45 45 GLY C C 13 174.707 0.000 . 1 . . . . . 41 Gly C . 19908 1 228 . 1 1 45 45 GLY CA C 13 46.293 0.000 . 1 . . . . . 41 Gly CA . 19908 1 229 . 1 1 45 45 GLY N N 15 108.124 0.023 . 1 . . . . . 41 Gly N . 19908 1 230 . 1 1 46 46 ILE H H 1 7.656 0.006 . 1 . . . . . 42 Ile H . 19908 1 231 . 1 1 46 46 ILE HA H 1 4.476 0.000 . 1 . . . . . 42 Ile HA . 19908 1 232 . 1 1 46 46 ILE C C 13 175.649 0.000 . 1 . . . . . 42 Ile C . 19908 1 233 . 1 1 46 46 ILE CA C 13 61.331 0.003 . 1 . . . . . 42 Ile CA . 19908 1 234 . 1 1 46 46 ILE CB C 13 38.951 0.000 . 1 . . . . . 42 Ile CB . 19908 1 235 . 1 1 46 46 ILE N N 15 109.656 0.030 . 1 . . . . . 42 Ile N . 19908 1 236 . 1 1 47 47 ALA H H 1 6.588 0.004 . 1 . . . . . 43 Ala H . 19908 1 237 . 1 1 47 47 ALA HA H 1 4.065 0.000 . 1 . . . . . 43 Ala HA . 19908 1 238 . 1 1 47 47 ALA C C 13 175.675 0.000 . 1 . . . . . 43 Ala C . 19908 1 239 . 1 1 47 47 ALA CA C 13 51.823 0.043 . 1 . . . . . 43 Ala CA . 19908 1 240 . 1 1 47 47 ALA CB C 13 19.865 0.000 . 1 . . . . . 43 Ala CB . 19908 1 241 . 1 1 47 47 ALA N N 15 121.519 0.036 . 1 . . . . . 43 Ala N . 19908 1 242 . 1 1 48 48 LYS H H 1 8.780 0.004 . 1 . . . . . 44 Lys H . 19908 1 243 . 1 1 48 48 LYS HA H 1 4.342 0.000 . 1 . . . . . 44 Lys HA . 19908 1 244 . 1 1 48 48 LYS C C 13 176.132 0.000 . 1 . . . . . 44 Lys C . 19908 1 245 . 1 1 48 48 LYS CA C 13 57.080 0.003 . 1 . . . . . 44 Lys CA . 19908 1 246 . 1 1 48 48 LYS CB C 13 34.471 0.000 . 1 . . . . . 44 Lys CB . 19908 1 247 . 1 1 48 48 LYS N N 15 118.961 0.071 . 1 . . . . . 44 Lys N . 19908 1 248 . 1 1 49 49 LEU H H 1 6.655 0.001 . 1 . . . . . 45 Leu H . 19908 1 249 . 1 1 49 49 LEU HA H 1 4.546 0.000 . 1 . . . . . 45 Leu HA . 19908 1 250 . 1 1 49 49 LEU C C 13 174.334 0.000 . 1 . . . . . 45 Leu C . 19908 1 251 . 1 1 49 49 LEU CA C 13 55.108 0.046 . 1 . . . . . 45 Leu CA . 19908 1 252 . 1 1 49 49 LEU CB C 13 44.637 0.000 . 1 . . . . . 45 Leu CB . 19908 1 253 . 1 1 49 49 LEU N N 15 113.291 0.007 . 1 . . . . . 45 Leu N . 19908 1 254 . 1 1 50 50 VAL H H 1 8.613 0.015 . 1 . . . . . 46 Val H . 19908 1 255 . 1 1 50 50 VAL HA H 1 4.657 0.000 . 1 . . . . . 46 Val HA . 19908 1 256 . 1 1 50 50 VAL C C 13 172.925 0.000 . 1 . . . . . 46 Val C . 19908 1 257 . 1 1 50 50 VAL CA C 13 61.682 0.000 . 1 . . . . . 46 Val CA . 19908 1 258 . 1 1 50 50 VAL CB C 13 33.346 0.000 . 1 . . . . . 46 Val CB . 19908 1 259 . 1 1 50 50 VAL N N 15 129.718 0.064 . 1 . . . . . 46 Val N . 19908 1 260 . 1 1 51 51 ILE H H 1 9.090 0.009 . 1 . . . . . 47 Ile H . 19908 1 261 . 1 1 51 51 ILE C C 13 173.583 0.000 . 1 . . . . . 47 Ile C . 19908 1 262 . 1 1 51 51 ILE CA C 13 60.050 0.000 . 1 . . . . . 47 Ile CA . 19908 1 263 . 1 1 51 51 ILE CB C 13 40.532 0.000 . 1 . . . . . 47 Ile CB . 19908 1 264 . 1 1 51 51 ILE N N 15 126.736 0.010 . 1 . . . . . 47 Ile N . 19908 1 265 . 1 1 52 52 ILE H H 1 8.528 0.007 . 1 . . . . . 48 Ile H . 19908 1 266 . 1 1 52 52 ILE HA H 1 3.820 0.000 . 1 . . . . . 48 Ile HA . 19908 1 267 . 1 1 52 52 ILE C C 13 175.296 0.000 . 1 . . . . . 48 Ile C . 19908 1 268 . 1 1 52 52 ILE CA C 13 59.534 0.032 . 1 . . . . . 48 Ile CA . 19908 1 269 . 1 1 52 52 ILE CB C 13 40.942 0.000 . 1 . . . . . 48 Ile CB . 19908 1 270 . 1 1 52 52 ILE N N 15 126.390 0.039 . 1 . . . . . 48 Ile N . 19908 1 271 . 1 1 53 53 ALA H H 1 8.510 0.010 . 1 . . . . . 49 Ala H . 19908 1 272 . 1 1 53 53 ALA HA H 1 5.056 0.000 . 1 . . . . . 49 Ala HA . 19908 1 273 . 1 1 53 53 ALA C C 13 180.403 0.000 . 1 . . . . . 49 Ala C . 19908 1 274 . 1 1 53 53 ALA CA C 13 51.674 0.039 . 1 . . . . . 49 Ala CA . 19908 1 275 . 1 1 53 53 ALA CB C 13 18.896 0.000 . 1 . . . . . 49 Ala CB . 19908 1 276 . 1 1 53 53 ALA N N 15 128.620 0.071 . 1 . . . . . 49 Ala N . 19908 1 277 . 1 1 54 54 GLU H H 1 8.763 0.005 . 1 . . . . . 50 Glu H . 19908 1 278 . 1 1 54 54 GLU HA H 1 4.897 0.000 . 1 . . . . . 50 Glu HA . 19908 1 279 . 1 1 54 54 GLU C C 13 176.131 0.000 . 1 . . . . . 50 Glu C . 19908 1 280 . 1 1 54 54 GLU CA C 13 58.811 0.000 . 1 . . . . . 50 Glu CA . 19908 1 281 . 1 1 54 54 GLU CB C 13 31.370 0.000 . 1 . . . . . 50 Glu CB . 19908 1 282 . 1 1 54 54 GLU N N 15 118.713 0.009 . 1 . . . . . 50 Glu N . 19908 1 283 . 1 1 55 55 ASP H H 1 8.713 0.014 . 1 . . . . . 51 Asp H . 19908 1 284 . 1 1 55 55 ASP HA H 1 4.809 0.000 . 1 . . . . . 51 Asp HA . 19908 1 285 . 1 1 55 55 ASP C C 13 175.275 0.000 . 1 . . . . . 51 Asp C . 19908 1 286 . 1 1 55 55 ASP CA C 13 52.578 0.000 . 1 . . . . . 51 Asp CA . 19908 1 287 . 1 1 55 55 ASP CB C 13 38.799 0.000 . 1 . . . . . 51 Asp CB . 19908 1 288 . 1 1 55 55 ASP N N 15 118.809 0.007 . 1 . . . . . 51 Asp N . 19908 1 289 . 1 1 56 56 VAL H H 1 6.887 0.008 . 1 . . . . . 52 Val H . 19908 1 290 . 1 1 56 56 VAL HA H 1 3.960 0.000 . 1 . . . . . 52 Val HA . 19908 1 291 . 1 1 56 56 VAL C C 13 175.147 0.000 . 1 . . . . . 52 Val C . 19908 1 292 . 1 1 56 56 VAL CA C 13 62.927 0.005 . 1 . . . . . 52 Val CA . 19908 1 293 . 1 1 56 56 VAL N N 15 120.720 0.007 . 1 . . . . . 52 Val N . 19908 1 294 . 1 1 57 57 LYS H H 1 7.941 0.002 . 1 . . . . . 53 Lys H . 19908 1 295 . 1 1 57 57 LYS HA H 1 4.557 0.000 . 1 . . . . . 53 Lys HA . 19908 1 296 . 1 1 57 57 LYS CA C 13 53.243 0.017 . 1 . . . . . 53 Lys CA . 19908 1 297 . 1 1 57 57 LYS CB C 13 36.106 0.000 . 1 . . . . . 53 Lys CB . 19908 1 298 . 1 1 57 57 LYS N N 15 126.808 0.053 . 1 . . . . . 53 Lys N . 19908 1 299 . 1 1 58 58 PRO C C 13 176.041 0.000 . 1 . . . . . 54 Pro C . 19908 1 300 . 1 1 58 58 PRO CA C 13 63.538 0.000 . 1 . . . . . 54 Pro CA . 19908 1 301 . 1 1 58 58 PRO CB C 13 34.220 0.000 . 1 . . . . . 54 Pro CB . 19908 1 302 . 1 1 59 59 GLU H H 1 9.660 0.009 . 1 . . . . . 55 Glu H . 19908 1 303 . 1 1 59 59 GLU C C 13 177.716 0.000 . 1 . . . . . 55 Glu C . 19908 1 304 . 1 1 59 59 GLU CA C 13 60.348 0.000 . 1 . . . . . 55 Glu CA . 19908 1 305 . 1 1 59 59 GLU N N 15 123.075 0.008 . 1 . . . . . 55 Glu N . 19908 1 306 . 1 1 60 60 GLU H H 1 9.052 0.003 . 1 . . . . . 56 Glu H . 19908 1 307 . 1 1 60 60 GLU C C 13 176.240 0.000 . 1 . . . . . 56 Glu C . 19908 1 308 . 1 1 60 60 GLU CA C 13 59.608 0.000 . 1 . . . . . 56 Glu CA . 19908 1 309 . 1 1 60 60 GLU CB C 13 29.035 0.000 . 1 . . . . . 56 Glu CB . 19908 1 310 . 1 1 60 60 GLU N N 15 115.378 0.006 . 1 . . . . . 56 Glu N . 19908 1 311 . 1 1 61 61 VAL H H 1 7.283 0.012 . 1 . . . . . 57 Val H . 19908 1 312 . 1 1 61 61 VAL HA H 1 4.772 0.000 . 1 . . . . . 57 Val HA . 19908 1 313 . 1 1 61 61 VAL C C 13 176.301 0.000 . 1 . . . . . 57 Val C . 19908 1 314 . 1 1 61 61 VAL CA C 13 66.546 0.000 . 1 . . . . . 57 Val CA . 19908 1 315 . 1 1 61 61 VAL CB C 13 32.280 0.000 . 1 . . . . . 57 Val CB . 19908 1 316 . 1 1 61 61 VAL N N 15 119.473 0.015 . 1 . . . . . 57 Val N . 19908 1 317 . 1 1 62 62 VAL H H 1 6.714 0.002 . 1 . . . . . 58 Val H . 19908 1 318 . 1 1 62 62 VAL HA H 1 4.479 0.000 . 1 . . . . . 58 Val HA . 19908 1 319 . 1 1 62 62 VAL C C 13 177.705 0.000 . 1 . . . . . 58 Val C . 19908 1 320 . 1 1 62 62 VAL CA C 13 59.969 0.011 . 1 . . . . . 58 Val CA . 19908 1 321 . 1 1 62 62 VAL N N 15 100.390 0.005 . 1 . . . . . 58 Val N . 19908 1 322 . 1 1 63 63 ALA H H 1 7.703 0.006 . 1 . . . . . 59 Ala H . 19908 1 323 . 1 1 63 63 ALA C C 13 176.878 0.000 . 1 . . . . . 59 Ala C . 19908 1 324 . 1 1 63 63 ALA CA C 13 55.594 0.000 . 1 . . . . . 59 Ala CA . 19908 1 325 . 1 1 63 63 ALA CB C 13 19.149 0.000 . 1 . . . . . 59 Ala CB . 19908 1 326 . 1 1 63 63 ALA N N 15 122.637 0.117 . 1 . . . . . 59 Ala N . 19908 1 327 . 1 1 64 64 HIS H H 1 8.821 0.016 . 1 . . . . . 60 His H . 19908 1 328 . 1 1 64 64 HIS HA H 1 4.787 0.000 . 1 . . . . . 60 His HA . 19908 1 329 . 1 1 64 64 HIS N N 15 112.945 0.015 . 1 . . . . . 60 His N . 19908 1 330 . 1 1 66 66 PRO HA H 1 2.720 0.000 . 1 . . . . . 62 Pro HA . 19908 1 331 . 1 1 66 66 PRO C C 13 177.070 0.000 . 1 . . . . . 62 Pro C . 19908 1 332 . 1 1 66 66 PRO CA C 13 66.528 0.090 . 1 . . . . . 62 Pro CA . 19908 1 333 . 1 1 66 66 PRO CB C 13 30.849 0.000 . 1 . . . . . 62 Pro CB . 19908 1 334 . 1 1 67 67 TYR H H 1 6.886 0.009 . 1 . . . . . 63 Tyr H . 19908 1 335 . 1 1 67 67 TYR HA H 1 4.080 0.000 . 1 . . . . . 63 Tyr HA . 19908 1 336 . 1 1 67 67 TYR C C 13 177.960 0.000 . 1 . . . . . 63 Tyr C . 19908 1 337 . 1 1 67 67 TYR CA C 13 60.696 0.005 . 1 . . . . . 63 Tyr CA . 19908 1 338 . 1 1 67 67 TYR CB C 13 37.684 0.000 . 1 . . . . . 63 Tyr CB . 19908 1 339 . 1 1 67 67 TYR N N 15 113.385 0.005 . 1 . . . . . 63 Tyr N . 19908 1 340 . 1 1 68 68 LEU H H 1 7.862 0.016 . 1 . . . . . 64 Leu H . 19908 1 341 . 1 1 68 68 LEU HA H 1 4.036 0.000 . 1 . . . . . 64 Leu HA . 19908 1 342 . 1 1 68 68 LEU C C 13 179.066 0.000 . 1 . . . . . 64 Leu C . 19908 1 343 . 1 1 68 68 LEU CA C 13 57.688 0.007 . 1 . . . . . 64 Leu CA . 19908 1 344 . 1 1 68 68 LEU CB C 13 42.859 0.000 . 1 . . . . . 64 Leu CB . 19908 1 345 . 1 1 68 68 LEU N N 15 121.704 0.069 . 1 . . . . . 64 Leu N . 19908 1 346 . 1 1 69 69 CYS H H 1 8.524 0.009 . 1 . . . . . 65 Cys H . 19908 1 347 . 1 1 69 69 CYS HA H 1 3.773 0.000 . 1 . . . . . 65 Cys HA . 19908 1 348 . 1 1 69 69 CYS C C 13 177.772 0.000 . 1 . . . . . 65 Cys C . 19908 1 349 . 1 1 69 69 CYS CA C 13 65.558 0.018 . 1 . . . . . 65 Cys CA . 19908 1 350 . 1 1 69 69 CYS CB C 13 26.346 0.000 . 1 . . . . . 65 Cys CB . 19908 1 351 . 1 1 69 69 CYS N N 15 115.786 0.002 . 1 . . . . . 65 Cys N . 19908 1 352 . 1 1 70 70 GLU H H 1 8.054 0.005 . 1 . . . . . 66 Glu H . 19908 1 353 . 1 1 70 70 GLU HA H 1 4.205 0.000 . 1 . . . . . 66 Glu HA . 19908 1 354 . 1 1 70 70 GLU C C 13 180.112 0.000 . 1 . . . . . 66 Glu C . 19908 1 355 . 1 1 70 70 GLU CA C 13 59.188 0.002 . 1 . . . . . 66 Glu CA . 19908 1 356 . 1 1 70 70 GLU CB C 13 28.768 0.000 . 1 . . . . . 66 Glu CB . 19908 1 357 . 1 1 70 70 GLU N N 15 119.374 0.007 . 1 . . . . . 66 Glu N . 19908 1 358 . 1 1 71 71 GLU H H 1 8.106 0.002 . 1 . . . . . 67 Glu H . 19908 1 359 . 1 1 71 71 GLU HA H 1 3.991 0.000 . 1 . . . . . 67 Glu HA . 19908 1 360 . 1 1 71 71 GLU C C 13 178.665 0.000 . 1 . . . . . 67 Glu C . 19908 1 361 . 1 1 71 71 GLU CA C 13 59.164 0.012 . 1 . . . . . 67 Glu CA . 19908 1 362 . 1 1 71 71 GLU CB C 13 29.672 0.000 . 1 . . . . . 67 Glu CB . 19908 1 363 . 1 1 71 71 GLU N N 15 120.261 0.004 . 1 . . . . . 67 Glu N . 19908 1 364 . 1 1 72 72 LYS H H 1 7.778 0.006 . 1 . . . . . 68 Lys H . 19908 1 365 . 1 1 72 72 LYS HA H 1 4.306 0.000 . 1 . . . . . 68 Lys HA . 19908 1 366 . 1 1 72 72 LYS C C 13 176.719 0.000 . 1 . . . . . 68 Lys C . 19908 1 367 . 1 1 72 72 LYS CA C 13 54.801 0.021 . 1 . . . . . 68 Lys CA . 19908 1 368 . 1 1 72 72 LYS CB C 13 32.435 0.000 . 1 . . . . . 68 Lys CB . 19908 1 369 . 1 1 72 72 LYS N N 15 114.751 0.007 . 1 . . . . . 68 Lys N . 19908 1 370 . 1 1 73 73 GLY H H 1 7.876 0.009 . 1 . . . . . 69 Gly H . 19908 1 371 . 1 1 73 73 GLY HA2 H 1 3.938 0.000 . 1 . . . . . 69 Gly HA2 . 19908 1 372 . 1 1 73 73 GLY HA3 H 1 4.014 0.000 . 1 . . . . . 69 Gly HA3 . 19908 1 373 . 1 1 73 73 GLY C C 13 174.687 0.000 . 1 . . . . . 69 Gly C . 19908 1 374 . 1 1 73 73 GLY CA C 13 46.464 0.000 . 1 . . . . . 69 Gly CA . 19908 1 375 . 1 1 73 73 GLY N N 15 110.146 0.013 . 1 . . . . . 69 Gly N . 19908 1 376 . 1 1 74 74 ILE H H 1 8.434 0.009 . 1 . . . . . 70 Ile H . 19908 1 377 . 1 1 74 74 ILE HA H 1 4.474 0.000 . 1 . . . . . 70 Ile HA . 19908 1 378 . 1 1 74 74 ILE CA C 13 57.292 0.007 . 1 . . . . . 70 Ile CA . 19908 1 379 . 1 1 74 74 ILE CB C 13 40.856 0.000 . 1 . . . . . 70 Ile CB . 19908 1 380 . 1 1 74 74 ILE N N 15 123.260 0.007 . 1 . . . . . 70 Ile N . 19908 1 381 . 1 1 75 75 PRO C C 13 174.271 0.000 . 1 . . . . . 71 Pro C . 19908 1 382 . 1 1 75 75 PRO CA C 13 63.333 0.000 . 1 . . . . . 71 Pro CA . 19908 1 383 . 1 1 75 75 PRO CB C 13 32.384 0.000 . 1 . . . . . 71 Pro CB . 19908 1 384 . 1 1 76 76 TYR H H 1 7.676 0.003 . 1 . . . . . 72 Tyr H . 19908 1 385 . 1 1 76 76 TYR HA H 1 5.984 0.000 . 1 . . . . . 72 Tyr HA . 19908 1 386 . 1 1 76 76 TYR C C 13 172.914 0.000 . 1 . . . . . 72 Tyr C . 19908 1 387 . 1 1 76 76 TYR CA C 13 54.534 0.025 . 1 . . . . . 72 Tyr CA . 19908 1 388 . 1 1 76 76 TYR CB C 13 41.728 0.000 . 1 . . . . . 72 Tyr CB . 19908 1 389 . 1 1 76 76 TYR N N 15 115.958 0.007 . 1 . . . . . 72 Tyr N . 19908 1 390 . 1 1 77 77 ALA H H 1 8.475 0.006 . 1 . . . . . 73 Ala H . 19908 1 391 . 1 1 77 77 ALA HA H 1 4.140 0.000 . 1 . . . . . 73 Ala HA . 19908 1 392 . 1 1 77 77 ALA C C 13 173.121 0.000 . 1 . . . . . 73 Ala C . 19908 1 393 . 1 1 77 77 ALA CA C 13 50.589 0.027 . 1 . . . . . 73 Ala CA . 19908 1 394 . 1 1 77 77 ALA CB C 13 23.391 0.000 . 1 . . . . . 73 Ala CB . 19908 1 395 . 1 1 77 77 ALA N N 15 117.094 0.058 . 1 . . . . . 73 Ala N . 19908 1 396 . 1 1 78 78 TYR H H 1 5.928 0.003 . 1 . . . . . 74 Tyr H . 19908 1 397 . 1 1 78 78 TYR HA H 1 6.177 0.000 . 1 . . . . . 74 Tyr HA . 19908 1 398 . 1 1 78 78 TYR C C 13 175.539 0.000 . 1 . . . . . 74 Tyr C . 19908 1 399 . 1 1 78 78 TYR CA C 13 56.180 0.019 . 1 . . . . . 74 Tyr CA . 19908 1 400 . 1 1 78 78 TYR CB C 13 42.878 0.000 . 1 . . . . . 74 Tyr CB . 19908 1 401 . 1 1 78 78 TYR N N 15 113.795 0.021 . 1 . . . . . 74 Tyr N . 19908 1 402 . 1 1 79 79 VAL H H 1 7.661 0.003 . 1 . . . . . 75 Val H . 19908 1 403 . 1 1 79 79 VAL HA H 1 4.275 0.000 . 1 . . . . . 75 Val HA . 19908 1 404 . 1 1 79 79 VAL C C 13 175.884 0.000 . 1 . . . . . 75 Val C . 19908 1 405 . 1 1 79 79 VAL CA C 13 58.501 0.005 . 1 . . . . . 75 Val CA . 19908 1 406 . 1 1 79 79 VAL N N 15 105.905 0.029 . 1 . . . . . 75 Val N . 19908 1 407 . 1 1 80 80 ALA H H 1 8.005 0.003 . 1 . . . . . 76 Ala H . 19908 1 408 . 1 1 80 80 ALA HA H 1 4.589 0.000 . 1 . . . . . 76 Ala HA . 19908 1 409 . 1 1 80 80 ALA C C 13 178.480 0.000 . 1 . . . . . 76 Ala C . 19908 1 410 . 1 1 80 80 ALA CA C 13 55.924 0.007 . 1 . . . . . 76 Ala CA . 19908 1 411 . 1 1 80 80 ALA CB C 13 19.537 0.000 . 1 . . . . . 76 Ala CB . 19908 1 412 . 1 1 80 80 ALA N N 15 122.417 0.011 . 1 . . . . . 76 Ala N . 19908 1 413 . 1 1 81 81 SER H H 1 7.766 0.006 . 1 . . . . . 77 Ser H . 19908 1 414 . 1 1 81 81 SER HA H 1 5.275 0.000 . 1 . . . . . 77 Ser HA . 19908 1 415 . 1 1 81 81 SER C C 13 175.783 0.000 . 1 . . . . . 77 Ser C . 19908 1 416 . 1 1 81 81 SER CA C 13 54.584 0.000 . 1 . . . . . 77 Ser CA . 19908 1 417 . 1 1 81 81 SER CB C 13 64.855 0.000 . 1 . . . . . 77 Ser CB . 19908 1 418 . 1 1 81 81 SER N N 15 106.750 0.007 . 1 . . . . . 77 Ser N . 19908 1 419 . 1 1 82 82 LYS H H 1 11.161 0.004 . 1 . . . . . 78 Lys H . 19908 1 420 . 1 1 82 82 LYS HA H 1 4.227 0.000 . 1 . . . . . 78 Lys HA . 19908 1 421 . 1 1 82 82 LYS C C 13 178.993 0.000 . 1 . . . . . 78 Lys C . 19908 1 422 . 1 1 82 82 LYS CA C 13 58.094 0.002 . 1 . . . . . 78 Lys CA . 19908 1 423 . 1 1 82 82 LYS CB C 13 31.350 0.000 . 1 . . . . . 78 Lys CB . 19908 1 424 . 1 1 82 82 LYS N N 15 132.839 0.008 . 1 . . . . . 78 Lys N . 19908 1 425 . 1 1 83 83 GLN H H 1 8.521 0.010 . 1 . . . . . 79 Gln H . 19908 1 426 . 1 1 83 83 GLN C C 13 178.052 0.000 . 1 . . . . . 79 Gln C . 19908 1 427 . 1 1 83 83 GLN CA C 13 59.266 0.000 . 1 . . . . . 79 Gln CA . 19908 1 428 . 1 1 83 83 GLN CB C 13 28.071 0.000 . 1 . . . . . 79 Gln CB . 19908 1 429 . 1 1 83 83 GLN N N 15 125.998 0.092 . 1 . . . . . 79 Gln N . 19908 1 430 . 1 1 84 84 ASP H H 1 7.757 0.008 . 1 . . . . . 80 Asp H . 19908 1 431 . 1 1 84 84 ASP HA H 1 4.244 0.000 . 1 . . . . . 80 Asp HA . 19908 1 432 . 1 1 84 84 ASP C C 13 179.259 0.000 . 1 . . . . . 80 Asp C . 19908 1 433 . 1 1 84 84 ASP CA C 13 56.877 0.031 . 1 . . . . . 80 Asp CA . 19908 1 434 . 1 1 84 84 ASP CB C 13 39.817 0.000 . 1 . . . . . 80 Asp CB . 19908 1 435 . 1 1 84 84 ASP N N 15 121.347 0.006 . 1 . . . . . 80 Asp N . 19908 1 436 . 1 1 85 85 LEU H H 1 8.391 0.006 . 1 . . . . . 81 Leu H . 19908 1 437 . 1 1 85 85 LEU HA H 1 4.000 0.000 . 1 . . . . . 81 Leu HA . 19908 1 438 . 1 1 85 85 LEU C C 13 177.767 0.000 . 1 . . . . . 81 Leu C . 19908 1 439 . 1 1 85 85 LEU CA C 13 57.591 0.007 . 1 . . . . . 81 Leu CA . 19908 1 440 . 1 1 85 85 LEU CB C 13 40.689 0.000 . 1 . . . . . 81 Leu CB . 19908 1 441 . 1 1 85 85 LEU N N 15 122.521 0.010 . 1 . . . . . 81 Leu N . 19908 1 442 . 1 1 86 86 GLY H H 1 7.900 0.006 . 1 . . . . . 82 Gly H . 19908 1 443 . 1 1 86 86 GLY C C 13 175.036 0.000 . 1 . . . . . 82 Gly C . 19908 1 444 . 1 1 86 86 GLY CA C 13 47.956 0.000 . 1 . . . . . 82 Gly CA . 19908 1 445 . 1 1 86 86 GLY N N 15 104.222 0.007 . 1 . . . . . 82 Gly N . 19908 1 446 . 1 1 87 87 LYS H H 1 7.548 0.005 . 1 . . . . . 83 Lys H . 19908 1 447 . 1 1 87 87 LYS HA H 1 4.222 0.000 . 1 . . . . . 83 Lys HA . 19908 1 448 . 1 1 87 87 LYS C C 13 181.544 0.000 . 1 . . . . . 83 Lys C . 19908 1 449 . 1 1 87 87 LYS CA C 13 58.923 0.003 . 1 . . . . . 83 Lys CA . 19908 1 450 . 1 1 87 87 LYS CB C 13 31.699 0.000 . 1 . . . . . 83 Lys CB . 19908 1 451 . 1 1 87 87 LYS N N 15 121.182 0.010 . 1 . . . . . 83 Lys N . 19908 1 452 . 1 1 88 88 ALA H H 1 8.059 0.007 . 1 . . . . . 84 Ala H . 19908 1 453 . 1 1 88 88 ALA HA H 1 4.022 0.000 . 1 . . . . . 84 Ala HA . 19908 1 454 . 1 1 88 88 ALA C C 13 177.882 0.000 . 1 . . . . . 84 Ala C . 19908 1 455 . 1 1 88 88 ALA CA C 13 55.229 0.000 . 1 . . . . . 84 Ala CA . 19908 1 456 . 1 1 88 88 ALA CB C 13 18.393 0.000 . 1 . . . . . 84 Ala CB . 19908 1 457 . 1 1 88 88 ALA N N 15 124.212 0.008 . 1 . . . . . 84 Ala N . 19908 1 458 . 1 1 89 89 ALA H H 1 7.391 0.013 . 1 . . . . . 85 Ala H . 19908 1 459 . 1 1 89 89 ALA HA H 1 3.802 0.011 . 1 . . . . . 85 Ala HA . 19908 1 460 . 1 1 89 89 ALA C C 13 174.672 0.000 . 1 . . . . . 85 Ala C . 19908 1 461 . 1 1 89 89 ALA CA C 13 51.287 0.035 . 1 . . . . . 85 Ala CA . 19908 1 462 . 1 1 89 89 ALA CB C 13 18.609 0.026 . 1 . . . . . 85 Ala CB . 19908 1 463 . 1 1 89 89 ALA N N 15 116.678 0.009 . 1 . . . . . 85 Ala N . 19908 1 464 . 1 1 90 90 GLY H H 1 7.659 0.008 . 1 . . . . . 86 Gly H . 19908 1 465 . 1 1 90 90 GLY C C 13 174.460 0.000 . 1 . . . . . 86 Gly C . 19908 1 466 . 1 1 90 90 GLY CA C 13 45.364 0.000 . 1 . . . . . 86 Gly CA . 19908 1 467 . 1 1 90 90 GLY N N 15 105.588 0.005 . 1 . . . . . 86 Gly N . 19908 1 468 . 1 1 91 91 LEU H H 1 8.006 0.007 . 1 . . . . . 87 Leu H . 19908 1 469 . 1 1 91 91 LEU HA H 1 4.280 0.000 . 1 . . . . . 87 Leu HA . 19908 1 470 . 1 1 91 91 LEU C C 13 177.165 0.000 . 1 . . . . . 87 Leu C . 19908 1 471 . 1 1 91 91 LEU CA C 13 52.607 0.048 . 1 . . . . . 87 Leu CA . 19908 1 472 . 1 1 91 91 LEU CB C 13 43.716 0.000 . 1 . . . . . 87 Leu CB . 19908 1 473 . 1 1 91 91 LEU N N 15 118.053 0.127 . 1 . . . . . 87 Leu N . 19908 1 474 . 1 1 92 92 GLU H H 1 8.988 0.006 . 1 . . . . . 88 Glu H . 19908 1 475 . 1 1 92 92 GLU HA H 1 4.275 0.000 . 1 . . . . . 88 Glu HA . 19908 1 476 . 1 1 92 92 GLU C C 13 175.888 0.000 . 1 . . . . . 88 Glu C . 19908 1 477 . 1 1 92 92 GLU CA C 13 55.640 0.099 . 1 . . . . . 88 Glu CA . 19908 1 478 . 1 1 92 92 GLU CB C 13 29.985 0.000 . 1 . . . . . 88 Glu CB . 19908 1 479 . 1 1 92 92 GLU N N 15 117.770 0.009 . 1 . . . . . 88 Glu N . 19908 1 480 . 1 1 93 93 VAL H H 1 6.362 0.008 . 1 . . . . . 89 Val H . 19908 1 481 . 1 1 93 93 VAL HA H 1 4.427 0.000 . 1 . . . . . 89 Val HA . 19908 1 482 . 1 1 93 93 VAL C C 13 173.702 0.000 . 1 . . . . . 89 Val C . 19908 1 483 . 1 1 93 93 VAL CA C 13 58.442 0.005 . 1 . . . . . 89 Val CA . 19908 1 484 . 1 1 93 93 VAL CB C 13 33.919 0.000 . 1 . . . . . 89 Val CB . 19908 1 485 . 1 1 93 93 VAL N N 15 109.953 0.008 . 1 . . . . . 89 Val N . 19908 1 486 . 1 1 94 94 ALA H H 1 7.720 0.005 . 1 . . . . . 90 Ala H . 19908 1 487 . 1 1 94 94 ALA HA H 1 4.030 0.000 . 1 . . . . . 90 Ala HA . 19908 1 488 . 1 1 94 94 ALA C C 13 176.511 0.000 . 1 . . . . . 90 Ala C . 19908 1 489 . 1 1 94 94 ALA CA C 13 51.343 0.007 . 1 . . . . . 90 Ala CA . 19908 1 490 . 1 1 94 94 ALA CB C 13 20.191 0.000 . 1 . . . . . 90 Ala CB . 19908 1 491 . 1 1 94 94 ALA N N 15 118.458 0.074 . 1 . . . . . 90 Ala N . 19908 1 492 . 1 1 95 95 ALA H H 1 7.451 0.003 . 1 . . . . . 91 Ala H . 19908 1 493 . 1 1 95 95 ALA HA H 1 4.526 0.000 . 1 . . . . . 91 Ala HA . 19908 1 494 . 1 1 95 95 ALA C C 13 175.951 0.000 . 1 . . . . . 91 Ala C . 19908 1 495 . 1 1 95 95 ALA CA C 13 51.471 0.036 . 1 . . . . . 91 Ala CA . 19908 1 496 . 1 1 95 95 ALA CB C 13 20.215 0.000 . 1 . . . . . 91 Ala CB . 19908 1 497 . 1 1 95 95 ALA N N 15 117.200 0.004 . 1 . . . . . 91 Ala N . 19908 1 498 . 1 1 96 96 SER H H 1 9.388 0.009 . 1 . . . . . 92 Ser H . 19908 1 499 . 1 1 96 96 SER C C 13 172.587 0.000 . 1 . . . . . 92 Ser C . 19908 1 500 . 1 1 96 96 SER CA C 13 60.675 0.000 . 1 . . . . . 92 Ser CA . 19908 1 501 . 1 1 96 96 SER CB C 13 61.761 0.000 . 1 . . . . . 92 Ser CB . 19908 1 502 . 1 1 96 96 SER N N 15 117.120 0.017 . 1 . . . . . 92 Ser N . 19908 1 503 . 1 1 97 97 SER H H 1 6.771 0.003 . 1 . . . . . 93 Ser H . 19908 1 504 . 1 1 97 97 SER HA H 1 5.165 0.000 . 1 . . . . . 93 Ser HA . 19908 1 505 . 1 1 97 97 SER C C 13 172.618 0.000 . 1 . . . . . 93 Ser C . 19908 1 506 . 1 1 97 97 SER CA C 13 56.542 0.069 . 1 . . . . . 93 Ser CA . 19908 1 507 . 1 1 97 97 SER CB C 13 64.151 0.000 . 1 . . . . . 93 Ser CB . 19908 1 508 . 1 1 97 97 SER N N 15 107.545 0.022 . 1 . . . . . 93 Ser N . 19908 1 509 . 1 1 98 98 VAL H H 1 8.790 0.020 . 1 . . . . . 94 Val H . 19908 1 510 . 1 1 98 98 VAL HA H 1 4.655 0.000 . 1 . . . . . 94 Val HA . 19908 1 511 . 1 1 98 98 VAL C C 13 173.442 0.000 . 1 . . . . . 94 Val C . 19908 1 512 . 1 1 98 98 VAL CA C 13 59.838 0.000 . 1 . . . . . 94 Val CA . 19908 1 513 . 1 1 98 98 VAL CB C 13 37.903 0.000 . 1 . . . . . 94 Val CB . 19908 1 514 . 1 1 98 98 VAL N N 15 117.647 0.006 . 1 . . . . . 94 Val N . 19908 1 515 . 1 1 99 99 ALA H H 1 9.016 0.002 . 1 . . . . . 95 Ala H . 19908 1 516 . 1 1 99 99 ALA HA H 1 5.403 0.000 . 1 . . . . . 95 Ala HA . 19908 1 517 . 1 1 99 99 ALA C C 13 176.516 0.000 . 1 . . . . . 95 Ala C . 19908 1 518 . 1 1 99 99 ALA CA C 13 49.196 0.051 . 1 . . . . . 95 Ala CA . 19908 1 519 . 1 1 99 99 ALA CB C 13 21.590 0.000 . 1 . . . . . 95 Ala CB . 19908 1 520 . 1 1 99 99 ALA N N 15 123.584 0.005 . 1 . . . . . 95 Ala N . 19908 1 521 . 1 1 100 100 ILE H H 1 8.824 0.003 . 1 . . . . . 96 Ile H . 19908 1 522 . 1 1 100 100 ILE HA H 1 4.002 0.000 . 1 . . . . . 96 Ile HA . 19908 1 523 . 1 1 100 100 ILE C C 13 173.888 0.000 . 1 . . . . . 96 Ile C . 19908 1 524 . 1 1 100 100 ILE CA C 13 63.020 0.015 . 1 . . . . . 96 Ile CA . 19908 1 525 . 1 1 100 100 ILE N N 15 121.948 0.004 . 1 . . . . . 96 Ile N . 19908 1 526 . 1 1 101 101 ILE H H 1 8.489 0.007 . 1 . . . . . 97 Ile H . 19908 1 527 . 1 1 101 101 ILE HA H 1 4.406 0.000 . 1 . . . . . 97 Ile HA . 19908 1 528 . 1 1 101 101 ILE C C 13 174.498 0.000 . 1 . . . . . 97 Ile C . 19908 1 529 . 1 1 101 101 ILE CA C 13 60.559 0.002 . 1 . . . . . 97 Ile CA . 19908 1 530 . 1 1 101 101 ILE N N 15 129.422 0.008 . 1 . . . . . 97 Ile N . 19908 1 531 . 1 1 102 102 ASN H H 1 8.053 0.005 . 1 . . . . . 98 Asn H . 19908 1 532 . 1 1 102 102 ASN HA H 1 5.036 0.000 . 1 . . . . . 98 Asn HA . 19908 1 533 . 1 1 102 102 ASN C C 13 173.434 0.000 . 1 . . . . . 98 Asn C . 19908 1 534 . 1 1 102 102 ASN CA C 13 53.306 0.018 . 1 . . . . . 98 Asn CA . 19908 1 535 . 1 1 102 102 ASN CB C 13 40.883 0.000 . 1 . . . . . 98 Asn CB . 19908 1 536 . 1 1 102 102 ASN N N 15 114.882 0.006 . 1 . . . . . 98 Asn N . 19908 1 537 . 1 1 103 103 GLU H H 1 11.769 0.008 . 1 . . . . . 99 Glu H . 19908 1 538 . 1 1 103 103 GLU HA H 1 4.360 0.000 . 1 . . . . . 99 Glu HA . 19908 1 539 . 1 1 103 103 GLU C C 13 174.938 0.000 . 1 . . . . . 99 Glu C . 19908 1 540 . 1 1 103 103 GLU CA C 13 55.621 0.001 . 1 . . . . . 99 Glu CA . 19908 1 541 . 1 1 103 103 GLU CB C 13 30.489 0.000 . 1 . . . . . 99 Glu CB . 19908 1 542 . 1 1 103 103 GLU N N 15 129.949 0.007 . 1 . . . . . 99 Glu N . 19908 1 543 . 1 1 104 104 GLY H H 1 9.592 0.004 . 1 . . . . . 100 Gly H . 19908 1 544 . 1 1 104 104 GLY C C 13 173.838 0.000 . 1 . . . . . 100 Gly C . 19908 1 545 . 1 1 104 104 GLY CA C 13 46.402 0.000 . 1 . . . . . 100 Gly CA . 19908 1 546 . 1 1 104 104 GLY N N 15 109.089 0.011 . 1 . . . . . 100 Gly N . 19908 1 547 . 1 1 105 105 ASP H H 1 6.939 0.014 . 1 . . . . . 101 Asp H . 19908 1 548 . 1 1 105 105 ASP HA H 1 4.766 0.000 . 1 . . . . . 101 Asp HA . 19908 1 549 . 1 1 105 105 ASP C C 13 176.295 0.000 . 1 . . . . . 101 Asp C . 19908 1 550 . 1 1 105 105 ASP CA C 13 54.299 0.000 . 1 . . . . . 101 Asp CA . 19908 1 551 . 1 1 105 105 ASP CB C 13 43.545 0.000 . 1 . . . . . 101 Asp CB . 19908 1 552 . 1 1 105 105 ASP N N 15 117.606 0.034 . 1 . . . . . 101 Asp N . 19908 1 553 . 1 1 106 106 ALA H H 1 9.208 0.010 . 1 . . . . . 102 Ala H . 19908 1 554 . 1 1 106 106 ALA HA H 1 4.778 0.000 . 1 . . . . . 102 Ala HA . 19908 1 555 . 1 1 106 106 ALA C C 13 180.145 0.000 . 1 . . . . . 102 Ala C . 19908 1 556 . 1 1 106 106 ALA CA C 13 55.624 0.000 . 1 . . . . . 102 Ala CA . 19908 1 557 . 1 1 106 106 ALA CB C 13 19.081 0.000 . 1 . . . . . 102 Ala CB . 19908 1 558 . 1 1 106 106 ALA N N 15 132.176 0.012 . 1 . . . . . 102 Ala N . 19908 1 559 . 1 1 107 107 GLU H H 1 8.286 0.005 . 1 . . . . . 103 Glu H . 19908 1 560 . 1 1 107 107 GLU HA H 1 4.099 0.000 . 1 . . . . . 103 Glu HA . 19908 1 561 . 1 1 107 107 GLU C C 13 179.082 0.000 . 1 . . . . . 103 Glu C . 19908 1 562 . 1 1 107 107 GLU CA C 13 59.319 0.000 . 1 . . . . . 103 Glu CA . 19908 1 563 . 1 1 107 107 GLU CB C 13 28.743 0.000 . 1 . . . . . 103 Glu CB . 19908 1 564 . 1 1 107 107 GLU N N 15 120.571 0.022 . 1 . . . . . 103 Glu N . 19908 1 565 . 1 1 108 108 GLU H H 1 8.535 0.008 . 1 . . . . . 104 Glu H . 19908 1 566 . 1 1 108 108 GLU HA H 1 4.345 0.000 . 1 . . . . . 104 Glu HA . 19908 1 567 . 1 1 108 108 GLU C C 13 178.023 0.000 . 1 . . . . . 104 Glu C . 19908 1 568 . 1 1 108 108 GLU CA C 13 58.500 0.017 . 1 . . . . . 104 Glu CA . 19908 1 569 . 1 1 108 108 GLU CB C 13 30.210 0.000 . 1 . . . . . 104 Glu CB . 19908 1 570 . 1 1 108 108 GLU N N 15 119.230 0.005 . 1 . . . . . 104 Glu N . 19908 1 571 . 1 1 109 109 LEU H H 1 8.017 0.005 . 1 . . . . . 105 Leu H . 19908 1 572 . 1 1 109 109 LEU HA H 1 3.982 0.000 . 1 . . . . . 105 Leu HA . 19908 1 573 . 1 1 109 109 LEU C C 13 177.373 0.000 . 1 . . . . . 105 Leu C . 19908 1 574 . 1 1 109 109 LEU CA C 13 58.168 0.001 . 1 . . . . . 105 Leu CA . 19908 1 575 . 1 1 109 109 LEU CB C 13 40.782 0.000 . 1 . . . . . 105 Leu CB . 19908 1 576 . 1 1 109 109 LEU N N 15 118.384 0.050 . 1 . . . . . 105 Leu N . 19908 1 577 . 1 1 110 110 LYS H H 1 7.640 0.004 . 1 . . . . . 106 Lys H . 19908 1 578 . 1 1 110 110 LYS HA H 1 3.882 0.000 . 1 . . . . . 106 Lys HA . 19908 1 579 . 1 1 110 110 LYS C C 13 180.111 0.000 . 1 . . . . . 106 Lys C . 19908 1 580 . 1 1 110 110 LYS CA C 13 60.292 0.002 . 1 . . . . . 106 Lys CA . 19908 1 581 . 1 1 110 110 LYS CB C 13 32.268 0.000 . 1 . . . . . 106 Lys CB . 19908 1 582 . 1 1 110 110 LYS N N 15 118.402 0.107 . 1 . . . . . 106 Lys N . 19908 1 583 . 1 1 111 111 VAL H H 1 7.742 0.011 . 1 . . . . . 107 Val H . 19908 1 584 . 1 1 111 111 VAL HA H 1 3.710 0.000 . 1 . . . . . 107 Val HA . 19908 1 585 . 1 1 111 111 VAL C C 13 178.176 0.000 . 1 . . . . . 107 Val C . 19908 1 586 . 1 1 111 111 VAL CA C 13 65.959 0.000 . 1 . . . . . 107 Val CA . 19908 1 587 . 1 1 111 111 VAL CB C 13 32.058 0.000 . 1 . . . . . 107 Val CB . 19908 1 588 . 1 1 111 111 VAL N N 15 118.504 0.097 . 1 . . . . . 107 Val N . 19908 1 589 . 1 1 112 112 LEU H H 1 7.808 0.006 . 1 . . . . . 108 Leu H . 19908 1 590 . 1 1 112 112 LEU HA H 1 5.171 0.000 . 1 . . . . . 108 Leu HA . 19908 1 591 . 1 1 112 112 LEU C C 13 178.298 0.000 . 1 . . . . . 108 Leu C . 19908 1 592 . 1 1 112 112 LEU CA C 13 57.972 0.031 . 1 . . . . . 108 Leu CA . 19908 1 593 . 1 1 112 112 LEU CB C 13 42.405 0.000 . 1 . . . . . 108 Leu CB . 19908 1 594 . 1 1 112 112 LEU N N 15 122.244 0.002 . 1 . . . . . 108 Leu N . 19908 1 595 . 1 1 113 113 ILE H H 1 8.580 0.008 . 1 . . . . . 109 Ile H . 19908 1 596 . 1 1 113 113 ILE HA H 1 3.306 0.000 . 1 . . . . . 109 Ile HA . 19908 1 597 . 1 1 113 113 ILE C C 13 177.804 0.000 . 1 . . . . . 109 Ile C . 19908 1 598 . 1 1 113 113 ILE CA C 13 66.441 0.024 . 1 . . . . . 109 Ile CA . 19908 1 599 . 1 1 113 113 ILE CB C 13 38.134 0.000 . 1 . . . . . 109 Ile CB . 19908 1 600 . 1 1 113 113 ILE N N 15 118.986 0.002 . 1 . . . . . 109 Ile N . 19908 1 601 . 1 1 114 114 GLU H H 1 7.700 0.002 . 1 . . . . . 110 Glu H . 19908 1 602 . 1 1 114 114 GLU HA H 1 4.061 0.000 . 1 . . . . . 110 Glu HA . 19908 1 603 . 1 1 114 114 GLU C C 13 179.394 0.000 . 1 . . . . . 110 Glu C . 19908 1 604 . 1 1 114 114 GLU CA C 13 59.618 0.006 . 1 . . . . . 110 Glu CA . 19908 1 605 . 1 1 114 114 GLU CB C 13 28.784 0.000 . 1 . . . . . 110 Glu CB . 19908 1 606 . 1 1 114 114 GLU N N 15 118.798 0.001 . 1 . . . . . 110 Glu N . 19908 1 607 . 1 1 115 115 LYS H H 1 8.009 0.006 . 1 . . . . . 111 Lys H . 19908 1 608 . 1 1 115 115 LYS HA H 1 4.013 0.000 . 1 . . . . . 111 Lys HA . 19908 1 609 . 1 1 115 115 LYS C C 13 179.594 0.000 . 1 . . . . . 111 Lys C . 19908 1 610 . 1 1 115 115 LYS CA C 13 60.132 0.003 . 1 . . . . . 111 Lys CA . 19908 1 611 . 1 1 115 115 LYS CB C 13 32.620 0.000 . 1 . . . . . 111 Lys CB . 19908 1 612 . 1 1 115 115 LYS N N 15 118.511 0.002 . 1 . . . . . 111 Lys N . 19908 1 613 . 1 1 116 116 VAL H H 1 8.169 0.004 . 1 . . . . . 112 Val H . 19908 1 614 . 1 1 116 116 VAL HA H 1 3.680 0.000 . 1 . . . . . 112 Val HA . 19908 1 615 . 1 1 116 116 VAL C C 13 177.534 0.000 . 1 . . . . . 112 Val C . 19908 1 616 . 1 1 116 116 VAL CA C 13 65.839 0.007 . 1 . . . . . 112 Val CA . 19908 1 617 . 1 1 116 116 VAL CB C 13 31.094 0.000 . 1 . . . . . 112 Val CB . 19908 1 618 . 1 1 116 116 VAL N N 15 117.403 0.003 . 1 . . . . . 112 Val N . 19908 1 619 . 1 1 117 117 ASN H H 1 8.327 0.007 . 1 . . . . . 113 Asn H . 19908 1 620 . 1 1 117 117 ASN HA H 1 4.247 0.000 . 1 . . . . . 113 Asn HA . 19908 1 621 . 1 1 117 117 ASN C C 13 178.654 0.000 . 1 . . . . . 113 Asn C . 19908 1 622 . 1 1 117 117 ASN CA C 13 55.807 0.004 . 1 . . . . . 113 Asn CA . 19908 1 623 . 1 1 117 117 ASN CB C 13 37.588 0.000 . 1 . . . . . 113 Asn CB . 19908 1 624 . 1 1 117 117 ASN N N 15 118.684 0.002 . 1 . . . . . 113 Asn N . 19908 1 625 . 1 1 118 118 VAL H H 1 7.333 0.014 . 1 . . . . . 114 Val H . 19908 1 626 . 1 1 118 118 VAL HA H 1 3.895 0.000 . 1 . . . . . 114 Val HA . 19908 1 627 . 1 1 118 118 VAL C C 13 177.687 0.000 . 1 . . . . . 114 Val C . 19908 1 628 . 1 1 118 118 VAL CA C 13 64.880 0.000 . 1 . . . . . 114 Val CA . 19908 1 629 . 1 1 118 118 VAL CB C 13 31.612 0.000 . 1 . . . . . 114 Val CB . 19908 1 630 . 1 1 118 118 VAL N N 15 116.724 0.032 . 1 . . . . . 114 Val N . 19908 1 631 . 1 1 119 119 LEU H H 1 7.366 0.003 . 1 . . . . . 115 Leu H . 19908 1 632 . 1 1 119 119 LEU HA H 1 4.128 0.000 . 1 . . . . . 115 Leu HA . 19908 1 633 . 1 1 119 119 LEU C C 13 177.392 0.000 . 1 . . . . . 115 Leu C . 19908 1 634 . 1 1 119 119 LEU CA C 13 55.956 0.003 . 1 . . . . . 115 Leu CA . 19908 1 635 . 1 1 119 119 LEU CB C 13 42.000 0.000 . 1 . . . . . 115 Leu CB . 19908 1 636 . 1 1 119 119 LEU N N 15 118.460 0.002 . 1 . . . . . 115 Leu N . 19908 1 637 . 1 1 120 120 LYS H H 1 6.889 0.017 . 1 . . . . . 116 Lys H . 19908 1 638 . 1 1 120 120 LYS HA H 1 3.647 0.000 . 1 . . . . . 116 Lys HA . 19908 1 639 . 1 1 120 120 LYS C C 13 175.364 0.000 . 1 . . . . . 116 Lys C . 19908 1 640 . 1 1 120 120 LYS CA C 13 56.802 0.000 . 1 . . . . . 116 Lys CA . 19908 1 641 . 1 1 120 120 LYS CB C 13 32.331 0.000 . 1 . . . . . 116 Lys CB . 19908 1 642 . 1 1 120 120 LYS N N 15 116.140 0.030 . 1 . . . . . 116 Lys N . 19908 1 643 . 1 1 121 121 GLN H H 1 7.295 0.004 . 1 . . . . . 117 Gln H . 19908 1 644 . 1 1 121 121 GLN HA H 1 4.019 0.000 . 1 . . . . . 117 Gln HA . 19908 1 645 . 1 1 121 121 GLN CA C 13 57.628 0.004 . 1 . . . . . 117 Gln CA . 19908 1 646 . 1 1 121 121 GLN CB C 13 29.864 0.000 . 1 . . . . . 117 Gln CB . 19908 1 647 . 1 1 121 121 GLN N N 15 124.400 0.004 . 1 . . . . . 117 Gln N . 19908 1 stop_ save_