################################### # 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_CKR-brazzein-shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CKR-brazzein-shifts _Assigned_chem_shift_list.Entry_ID 16978 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CKR-brazzein_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' . . . 16978 1 2 '2D 1H-13C HSQC' . . . 16978 1 3 '3D CBCA(CO)NH' . . . 16978 1 4 '3D C(CO)NH' . . . 16978 1 5 '3D HNCO' . . . 16978 1 6 '3D HNCACB' . . . 16978 1 7 '3D HBHA(CO)NH' . . . 16978 1 8 '3D H(CCO)NH' . . . 16978 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 2 $NMRPipe . . 16978 1 3 $NMRDraw . . 16978 1 4 $PINE . . 16978 1 5 $SPARKY . . 16978 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.292 0.005 . 1 . . . . 2 ASP HA . 16978 1 2 . 1 1 1 1 ASP HB2 H 1 2.778 0.000 . 2 . . . . 2 ASP HB2 . 16978 1 3 . 1 1 1 1 ASP HB3 H 1 2.839 0.000 . 2 . . . . 2 ASP HB3 . 16978 1 4 . 1 1 1 1 ASP CA C 13 53.461 0.029 . 1 . . . . 2 ASP CA . 16978 1 5 . 1 1 1 1 ASP CB C 13 39.757 0.021 . 1 . . . . 2 ASP CB . 16978 1 6 . 1 1 2 2 CYS H H 1 8.773 0.003 . 2 . . . . 3 CYS H . 16978 1 7 . 1 1 2 2 CYS HA H 1 5.338 0.004 . 2 . . . . 3 CYS HA . 16978 1 8 . 1 1 2 2 CYS HB2 H 1 2.933 0.003 . 2 . . . . 3 CYS HB2 . 16978 1 9 . 1 1 2 2 CYS HB3 H 1 3.049 0.006 . 2 . . . . 3 CYS HB3 . 16978 1 10 . 1 1 2 2 CYS C C 13 173.358 0.000 . 2 . . . . 3 CYS C . 16978 1 11 . 1 1 2 2 CYS CA C 13 56.613 0.022 . 2 . . . . 3 CYS CA . 16978 1 12 . 1 1 2 2 CYS CB C 13 46.487 0.015 . 2 . . . . 3 CYS CB . 16978 1 13 . 1 1 2 2 CYS N N 15 118.491 0.013 . 2 . . . . 3 CYS N . 16978 1 14 . 1 1 3 3 LYS H H 1 8.960 0.003 . 1 . . . . 4 LYS H . 16978 1 15 . 1 1 3 3 LYS HA H 1 4.603 0.007 . 1 . . . . 4 LYS HA . 16978 1 16 . 1 1 3 3 LYS HB2 H 1 1.767 0.018 . 2 . . . . 4 LYS HB2 . 16978 1 17 . 1 1 3 3 LYS HB3 H 1 1.815 0.018 . 2 . . . . 4 LYS HB3 . 16978 1 18 . 1 1 3 3 LYS HG2 H 1 1.395 0.002 . 2 . . . . 4 LYS QG . 16978 1 19 . 1 1 3 3 LYS HG3 H 1 1.395 0.002 . 2 . . . . 4 LYS QG . 16978 1 20 . 1 1 3 3 LYS C C 13 174.907 0.000 . 1 . . . . 4 LYS C . 16978 1 21 . 1 1 3 3 LYS CA C 13 55.227 0.056 . 1 . . . . 4 LYS CA . 16978 1 22 . 1 1 3 3 LYS CB C 13 35.353 0.006 . 1 . . . . 4 LYS CB . 16978 1 23 . 1 1 3 3 LYS CD C 13 29.090 0.000 . 1 . . . . 4 LYS CD . 16978 1 24 . 1 1 3 3 LYS CG C 13 24.723 0.018 . 1 . . . . 4 LYS CG . 16978 1 25 . 1 1 3 3 LYS N N 15 122.952 0.007 . 1 . . . . 4 LYS N . 16978 1 26 . 1 1 4 4 ARG H H 1 8.460 0.003 . 1 . . . . 5 ARG H . 16978 1 27 . 1 1 4 4 ARG HA H 1 5.395 0.005 . 1 . . . . 5 ARG HA . 16978 1 28 . 1 1 4 4 ARG HB2 H 1 1.609 0.003 . 2 . . . . 5 ARG QB . 16978 1 29 . 1 1 4 4 ARG HB3 H 1 1.609 0.003 . 2 . . . . 5 ARG QB . 16978 1 30 . 1 1 4 4 ARG HD2 H 1 3.064 0.000 . 2 . . . . 5 ARG QD . 16978 1 31 . 1 1 4 4 ARG HD3 H 1 3.064 0.000 . 2 . . . . 5 ARG QD . 16978 1 32 . 1 1 4 4 ARG HG2 H 1 1.616 0.000 . 2 . . . . 5 ARG QG . 16978 1 33 . 1 1 4 4 ARG HG3 H 1 1.616 0.000 . 2 . . . . 5 ARG QG . 16978 1 34 . 1 1 4 4 ARG C C 13 176.839 0.000 . 1 . . . . 5 ARG C . 16978 1 35 . 1 1 4 4 ARG CA C 13 55.315 0.034 . 1 . . . . 5 ARG CA . 16978 1 36 . 1 1 4 4 ARG CB C 13 31.985 0.037 . 1 . . . . 5 ARG CB . 16978 1 37 . 1 1 4 4 ARG CD C 13 43.739 0.024 . 1 . . . . 5 ARG CD . 16978 1 38 . 1 1 4 4 ARG CG C 13 27.482 0.007 . 1 . . . . 5 ARG CG . 16978 1 39 . 1 1 4 4 ARG N N 15 122.257 0.022 . 1 . . . . 5 ARG N . 16978 1 40 . 1 1 5 5 LYS H H 1 9.096 0.005 . 1 . . . . 6 LYS H . 16978 1 41 . 1 1 5 5 LYS HA H 1 4.780 0.003 . 1 . . . . 6 LYS HA . 16978 1 42 . 1 1 5 5 LYS HB2 H 1 1.744 0.007 . 2 . . . . 6 LYS HB2 . 16978 1 43 . 1 1 5 5 LYS HB3 H 1 1.886 0.007 . 2 . . . . 6 LYS HB3 . 16978 1 44 . 1 1 5 5 LYS HG2 H 1 1.327 0.000 . 2 . . . . 6 LYS HG2 . 16978 1 45 . 1 1 5 5 LYS HG3 H 1 1.438 0.000 . 2 . . . . 6 LYS HG3 . 16978 1 46 . 1 1 5 5 LYS C C 13 175.964 0.000 . 1 . . . . 6 LYS C . 16978 1 47 . 1 1 5 5 LYS CA C 13 55.329 0.036 . 1 . . . . 6 LYS CA . 16978 1 48 . 1 1 5 5 LYS CB C 13 36.568 0.006 . 1 . . . . 6 LYS CB . 16978 1 49 . 1 1 5 5 LYS CD C 13 29.261 0.000 . 1 . . . . 6 LYS CD . 16978 1 50 . 1 1 5 5 LYS CG C 13 24.721 0.000 . 1 . . . . 6 LYS CG . 16978 1 51 . 1 1 5 5 LYS N N 15 121.789 0.012 . 1 . . . . 6 LYS N . 16978 1 52 . 1 1 6 6 VAL H H 1 8.801 0.003 . 1 . . . . 7 VAL H . 16978 1 53 . 1 1 6 6 VAL HA H 1 3.980 0.004 . 1 . . . . 7 VAL HA . 16978 1 54 . 1 1 6 6 VAL HB H 1 2.020 0.002 . 1 . . . . 7 VAL HB . 16978 1 55 . 1 1 6 6 VAL HG11 H 1 0.897 0.006 . 2 . . . . 7 VAL HG1 . 16978 1 56 . 1 1 6 6 VAL HG12 H 1 0.897 0.006 . 2 . . . . 7 VAL HG1 . 16978 1 57 . 1 1 6 6 VAL HG13 H 1 0.897 0.006 . 2 . . . . 7 VAL HG1 . 16978 1 58 . 1 1 6 6 VAL HG21 H 1 1.020 0.002 . 2 . . . . 7 VAL HG2 . 16978 1 59 . 1 1 6 6 VAL HG22 H 1 1.020 0.002 . 2 . . . . 7 VAL HG2 . 16978 1 60 . 1 1 6 6 VAL HG23 H 1 1.020 0.002 . 2 . . . . 7 VAL HG2 . 16978 1 61 . 1 1 6 6 VAL C C 13 175.167 0.000 . 1 . . . . 7 VAL C . 16978 1 62 . 1 1 6 6 VAL CA C 13 63.805 0.029 . 1 . . . . 7 VAL CA . 16978 1 63 . 1 1 6 6 VAL CB C 13 33.211 0.025 . 1 . . . . 7 VAL CB . 16978 1 64 . 1 1 6 6 VAL CG1 C 13 21.075 0.043 . 2 . . . . 7 VAL CG1 . 16978 1 65 . 1 1 6 6 VAL CG2 C 13 22.751 0.003 . 2 . . . . 7 VAL CG2 . 16978 1 66 . 1 1 6 6 VAL N N 15 127.881 0.017 . 1 . . . . 7 VAL N . 16978 1 67 . 1 1 7 7 TYR H H 1 9.287 0.004 . 1 . . . . 8 TYR H . 16978 1 68 . 1 1 7 7 TYR HA H 1 4.399 0.001 . 1 . . . . 8 TYR HA . 16978 1 69 . 1 1 7 7 TYR HB2 H 1 2.713 0.002 . 2 . . . . 8 TYR HB2 . 16978 1 70 . 1 1 7 7 TYR HB3 H 1 3.068 0.008 . 2 . . . . 8 TYR HB3 . 16978 1 71 . 1 1 7 7 TYR C C 13 175.048 0.000 . 1 . . . . 8 TYR C . 16978 1 72 . 1 1 7 7 TYR CA C 13 55.656 0.043 . 1 . . . . 8 TYR CA . 16978 1 73 . 1 1 7 7 TYR CB C 13 36.037 0.032 . 1 . . . . 8 TYR CB . 16978 1 74 . 1 1 7 7 TYR N N 15 130.311 0.008 . 1 . . . . 8 TYR N . 16978 1 75 . 1 1 8 8 GLU H H 1 9.019 0.004 . 1 . . . . 9 GLU H . 16978 1 76 . 1 1 8 8 GLU HA H 1 4.140 0.003 . 1 . . . . 9 GLU HA . 16978 1 77 . 1 1 8 8 GLU HB2 H 1 2.006 0.031 . 2 . . . . 9 GLU HB2 . 16978 1 78 . 1 1 8 8 GLU HB3 H 1 2.062 0.010 . 2 . . . . 9 GLU HB3 . 16978 1 79 . 1 1 8 8 GLU HG2 H 1 2.378 0.002 . 2 . . . . 9 GLU QG . 16978 1 80 . 1 1 8 8 GLU HG3 H 1 2.378 0.002 . 2 . . . . 9 GLU QG . 16978 1 81 . 1 1 8 8 GLU C C 13 176.863 0.000 . 1 . . . . 9 GLU C . 16978 1 82 . 1 1 8 8 GLU CA C 13 58.365 0.023 . 1 . . . . 9 GLU CA . 16978 1 83 . 1 1 8 8 GLU CB C 13 29.285 0.014 . 1 . . . . 9 GLU CB . 16978 1 84 . 1 1 8 8 GLU CG C 13 36.148 0.022 . 1 . . . . 9 GLU CG . 16978 1 85 . 1 1 8 8 GLU N N 15 130.840 0.015 . 1 . . . . 9 GLU N . 16978 1 86 . 1 1 9 9 ASN H H 1 9.237 0.002 . 1 . . . . 10 ASN H . 16978 1 87 . 1 1 9 9 ASN HA H 1 4.373 0.006 . 1 . . . . 10 ASN HA . 16978 1 88 . 1 1 9 9 ASN HB2 H 1 3.003 0.000 . 2 . . . . 10 ASN HB2 . 16978 1 89 . 1 1 9 9 ASN HB3 H 1 3.070 0.000 . 2 . . . . 10 ASN HB3 . 16978 1 90 . 1 1 9 9 ASN C C 13 174.323 0.000 . 1 . . . . 10 ASN C . 16978 1 91 . 1 1 9 9 ASN CA C 13 54.544 0.021 . 1 . . . . 10 ASN CA . 16978 1 92 . 1 1 9 9 ASN CB C 13 37.311 0.026 . 1 . . . . 10 ASN CB . 16978 1 93 . 1 1 9 9 ASN N N 15 116.048 0.014 . 1 . . . . 10 ASN N . 16978 1 94 . 1 1 10 10 TYR H H 1 7.509 0.003 . 1 . . . . 11 TYR H . 16978 1 95 . 1 1 10 10 TYR HA H 1 4.157 0.001 . 1 . . . . 11 TYR HA . 16978 1 96 . 1 1 10 10 TYR HB2 H 1 2.831 0.000 . 2 . . . . 11 TYR HB2 . 16978 1 97 . 1 1 10 10 TYR HB3 H 1 3.098 0.000 . 2 . . . . 11 TYR HB3 . 16978 1 98 . 1 1 10 10 TYR CA C 13 57.429 0.054 . 1 . . . . 11 TYR CA . 16978 1 99 . 1 1 10 10 TYR CB C 13 39.557 0.004 . 1 . . . . 11 TYR CB . 16978 1 100 . 1 1 10 10 TYR N N 15 122.642 0.005 . 1 . . . . 11 TYR N . 16978 1 101 . 1 1 11 11 PRO HA H 1 4.442 0.003 . 1 . . . . 12 PRO HA . 16978 1 102 . 1 1 11 11 PRO HB2 H 1 1.736 0.005 . 2 . . . . 12 PRO HB2 . 16978 1 103 . 1 1 11 11 PRO HB3 H 1 2.046 0.012 . 2 . . . . 12 PRO HB3 . 16978 1 104 . 1 1 11 11 PRO HD2 H 1 2.131 0.000 . 2 . . . . 12 PRO HD2 . 16978 1 105 . 1 1 11 11 PRO HD3 H 1 3.495 0.000 . 2 . . . . 12 PRO HD3 . 16978 1 106 . 1 1 11 11 PRO HG2 H 1 1.575 0.000 . 2 . . . . 12 PRO HG2 . 16978 1 107 . 1 1 11 11 PRO HG3 H 1 1.736 0.000 . 2 . . . . 12 PRO HG3 . 16978 1 108 . 1 1 11 11 PRO C C 13 176.993 0.000 . 1 . . . . 12 PRO C . 16978 1 109 . 1 1 11 11 PRO CA C 13 62.169 0.037 . 1 . . . . 12 PRO CA . 16978 1 110 . 1 1 11 11 PRO CB C 13 30.492 0.012 . 1 . . . . 12 PRO CB . 16978 1 111 . 1 1 11 11 PRO CD C 13 50.427 0.033 . 1 . . . . 12 PRO CD . 16978 1 112 . 1 1 11 11 PRO CG C 13 27.601 0.020 . 1 . . . . 12 PRO CG . 16978 1 113 . 1 1 12 12 VAL H H 1 8.072 0.003 . 1 . . . . 13 VAL H . 16978 1 114 . 1 1 12 12 VAL HA H 1 3.796 0.012 . 1 . . . . 13 VAL HA . 16978 1 115 . 1 1 12 12 VAL HB H 1 2.196 0.004 . 1 . . . . 13 VAL HB . 16978 1 116 . 1 1 12 12 VAL HG11 H 1 1.066 0.000 . 2 . . . . 13 VAL HG1 . 16978 1 117 . 1 1 12 12 VAL HG12 H 1 1.066 0.000 . 2 . . . . 13 VAL HG1 . 16978 1 118 . 1 1 12 12 VAL HG13 H 1 1.066 0.000 . 2 . . . . 13 VAL HG1 . 16978 1 119 . 1 1 12 12 VAL HG21 H 1 1.090 0.000 . 2 . . . . 13 VAL HG2 . 16978 1 120 . 1 1 12 12 VAL HG22 H 1 1.090 0.000 . 2 . . . . 13 VAL HG2 . 16978 1 121 . 1 1 12 12 VAL HG23 H 1 1.090 0.000 . 2 . . . . 13 VAL HG2 . 16978 1 122 . 1 1 12 12 VAL C C 13 178.534 0.000 . 1 . . . . 13 VAL C . 16978 1 123 . 1 1 12 12 VAL CA C 13 65.777 0.025 . 1 . . . . 13 VAL CA . 16978 1 124 . 1 1 12 12 VAL CB C 13 31.564 0.035 . 1 . . . . 13 VAL CB . 16978 1 125 . 1 1 12 12 VAL CG1 C 13 20.701 0.008 . 2 . . . . 13 VAL CG1 . 16978 1 126 . 1 1 12 12 VAL CG2 C 13 21.449 0.027 . 2 . . . . 13 VAL CG2 . 16978 1 127 . 1 1 12 12 VAL N N 15 123.994 0.020 . 1 . . . . 13 VAL N . 16978 1 128 . 1 1 13 13 SER H H 1 8.371 0.004 . 1 . . . . 14 SER H . 16978 1 129 . 1 1 13 13 SER HA H 1 4.137 0.010 . 1 . . . . 14 SER HA . 16978 1 130 . 1 1 13 13 SER HB2 H 1 3.821 0.005 . 2 . . . . 14 SER QB . 16978 1 131 . 1 1 13 13 SER HB3 H 1 3.821 0.005 . 2 . . . . 14 SER QB . 16978 1 132 . 1 1 13 13 SER C C 13 177.767 0.000 . 1 . . . . 14 SER C . 16978 1 133 . 1 1 13 13 SER CA C 13 61.144 0.051 . 1 . . . . 14 SER CA . 16978 1 134 . 1 1 13 13 SER CB C 13 61.789 0.069 . 1 . . . . 14 SER CB . 16978 1 135 . 1 1 13 13 SER N N 15 117.270 0.011 . 1 . . . . 14 SER N . 16978 1 136 . 1 1 14 14 LYS H H 1 7.837 0.005 . 1 . . . . 15 LYS H . 16978 1 137 . 1 1 14 14 LYS HA H 1 4.047 0.002 . 1 . . . . 15 LYS HA . 16978 1 138 . 1 1 14 14 LYS HB2 H 1 1.829 0.003 . 2 . . . . 15 LYS HB2 . 16978 1 139 . 1 1 14 14 LYS HB3 H 1 1.906 0.004 . 2 . . . . 15 LYS HB3 . 16978 1 140 . 1 1 14 14 LYS HD2 H 1 1.416 0.000 . 2 . . . . 15 LYS QD . 16978 1 141 . 1 1 14 14 LYS HD3 H 1 1.416 0.000 . 2 . . . . 15 LYS QD . 16978 1 142 . 1 1 14 14 LYS HG2 H 1 1.213 0.000 . 2 . . . . 15 LYS QG . 16978 1 143 . 1 1 14 14 LYS HG3 H 1 1.213 0.000 . 2 . . . . 15 LYS QG . 16978 1 144 . 1 1 14 14 LYS C C 13 178.739 0.000 . 1 . . . . 15 LYS C . 16978 1 145 . 1 1 14 14 LYS CA C 13 59.770 0.011 . 1 . . . . 15 LYS CA . 16978 1 146 . 1 1 14 14 LYS CB C 13 31.633 0.013 . 1 . . . . 15 LYS CB . 16978 1 147 . 1 1 14 14 LYS CE C 13 41.702 0.000 . 1 . . . . 15 LYS CE . 16978 1 148 . 1 1 14 14 LYS CG C 13 27.202 0.000 . 1 . . . . 15 LYS CG . 16978 1 149 . 1 1 14 14 LYS N N 15 121.380 0.012 . 1 . . . . 15 LYS N . 16978 1 150 . 1 1 15 15 CYS H H 1 7.852 0.004 . 2 . . . . 16 CYS H . 16978 1 151 . 1 1 15 15 CYS HA H 1 4.739 0.009 . 2 . . . . 16 CYS HA . 16978 1 152 . 1 1 15 15 CYS HB2 H 1 2.995 0.003 . 2 . . . . 16 CYS HB2 . 16978 1 153 . 1 1 15 15 CYS HB3 H 1 3.197 0.002 . 2 . . . . 16 CYS HB3 . 16978 1 154 . 1 1 15 15 CYS C C 13 175.748 0.000 . 2 . . . . 16 CYS C . 16978 1 155 . 1 1 15 15 CYS CA C 13 58.048 0.099 . 2 . . . . 16 CYS CA . 16978 1 156 . 1 1 15 15 CYS CB C 13 40.639 0.040 . 2 . . . . 16 CYS CB . 16978 1 157 . 1 1 15 15 CYS N N 15 115.720 0.020 . 2 . . . . 16 CYS N . 16978 1 158 . 1 1 16 16 GLN H H 1 7.374 0.004 . 1 . . . . 17 GLN H . 16978 1 159 . 1 1 16 16 GLN HA H 1 4.208 0.003 . 1 . . . . 17 GLN HA . 16978 1 160 . 1 1 16 16 GLN HB2 H 1 2.004 0.004 . 2 . . . . 17 GLN HB2 . 16978 1 161 . 1 1 16 16 GLN HB3 H 1 2.253 0.005 . 2 . . . . 17 GLN HB3 . 16978 1 162 . 1 1 16 16 GLN HG2 H 1 2.386 0.007 . 2 . . . . 17 GLN QG . 16978 1 163 . 1 1 16 16 GLN HG3 H 1 2.386 0.007 . 2 . . . . 17 GLN QG . 16978 1 164 . 1 1 16 16 GLN C C 13 175.377 0.000 . 1 . . . . 17 GLN C . 16978 1 165 . 1 1 16 16 GLN CA C 13 56.553 0.030 . 1 . . . . 17 GLN CA . 16978 1 166 . 1 1 16 16 GLN CB C 13 28.890 0.019 . 1 . . . . 17 GLN CB . 16978 1 167 . 1 1 16 16 GLN CG C 13 34.032 0.034 . 1 . . . . 17 GLN CG . 16978 1 168 . 1 1 16 16 GLN N N 15 115.469 0.020 . 1 . . . . 17 GLN N . 16978 1 169 . 1 1 17 17 LEU H H 1 7.297 0.005 . 1 . . . . 18 LEU H . 16978 1 170 . 1 1 17 17 LEU HA H 1 4.508 0.005 . 1 . . . . 18 LEU HA . 16978 1 171 . 1 1 17 17 LEU HB2 H 1 1.565 0.001 . 2 . . . . 18 LEU HB2 . 16978 1 172 . 1 1 17 17 LEU HB3 H 1 1.920 0.001 . 2 . . . . 18 LEU HB3 . 16978 1 173 . 1 1 17 17 LEU HD11 H 1 0.884 0.015 . 2 . . . . 18 LEU HD1 . 16978 1 174 . 1 1 17 17 LEU HD12 H 1 0.884 0.015 . 2 . . . . 18 LEU HD1 . 16978 1 175 . 1 1 17 17 LEU HD13 H 1 0.884 0.015 . 2 . . . . 18 LEU HD1 . 16978 1 176 . 1 1 17 17 LEU HD21 H 1 0.917 0.000 . 2 . . . . 18 LEU HD2 . 16978 1 177 . 1 1 17 17 LEU HD22 H 1 0.917 0.000 . 2 . . . . 18 LEU HD2 . 16978 1 178 . 1 1 17 17 LEU HD23 H 1 0.917 0.000 . 2 . . . . 18 LEU HD2 . 16978 1 179 . 1 1 17 17 LEU HG H 1 1.671 0.002 . 1 . . . . 18 LEU HG . 16978 1 180 . 1 1 17 17 LEU C C 13 176.430 0.000 . 1 . . . . 18 LEU C . 16978 1 181 . 1 1 17 17 LEU CA C 13 53.610 0.038 . 1 . . . . 18 LEU CA . 16978 1 182 . 1 1 17 17 LEU CB C 13 42.426 0.013 . 1 . . . . 18 LEU CB . 16978 1 183 . 1 1 17 17 LEU CD1 C 13 23.207 0.008 . 2 . . . . 18 LEU CD1 . 16978 1 184 . 1 1 17 17 LEU CD2 C 13 25.378 0.026 . 2 . . . . 18 LEU CD2 . 16978 1 185 . 1 1 17 17 LEU CG C 13 26.657 0.050 . 1 . . . . 18 LEU CG . 16978 1 186 . 1 1 17 17 LEU N N 15 121.213 0.009 . 1 . . . . 18 LEU N . 16978 1 187 . 1 1 18 18 ALA H H 1 8.552 0.003 . 1 . . . . 19 ALA H . 16978 1 188 . 1 1 18 18 ALA HA H 1 4.117 0.002 . 1 . . . . 19 ALA HA . 16978 1 189 . 1 1 18 18 ALA HB1 H 1 1.370 0.004 . 1 . . . . 19 ALA HB . 16978 1 190 . 1 1 18 18 ALA HB2 H 1 1.370 0.004 . 1 . . . . 19 ALA HB . 16978 1 191 . 1 1 18 18 ALA HB3 H 1 1.370 0.004 . 1 . . . . 19 ALA HB . 16978 1 192 . 1 1 18 18 ALA C C 13 178.925 0.000 . 1 . . . . 19 ALA C . 16978 1 193 . 1 1 18 18 ALA CA C 13 54.084 0.032 . 1 . . . . 19 ALA CA . 16978 1 194 . 1 1 18 18 ALA CB C 13 18.260 0.055 . 1 . . . . 19 ALA CB . 16978 1 195 . 1 1 18 18 ALA N N 15 127.902 0.009 . 1 . . . . 19 ALA N . 16978 1 196 . 1 1 19 19 ASN H H 1 9.051 0.005 . 1 . . . . 20 ASN H . 16978 1 197 . 1 1 19 19 ASN HA H 1 4.612 0.005 . 1 . . . . 20 ASN HA . 16978 1 198 . 1 1 19 19 ASN HB2 H 1 2.799 0.003 . 2 . . . . 20 ASN HB2 . 16978 1 199 . 1 1 19 19 ASN HB3 H 1 2.960 0.006 . 2 . . . . 20 ASN HB3 . 16978 1 200 . 1 1 19 19 ASN C C 13 175.123 0.000 . 1 . . . . 20 ASN C . 16978 1 201 . 1 1 19 19 ASN CA C 13 55.151 0.062 . 1 . . . . 20 ASN CA . 16978 1 202 . 1 1 19 19 ASN CB C 13 39.392 0.018 . 1 . . . . 20 ASN CB . 16978 1 203 . 1 1 19 19 ASN N N 15 116.129 0.012 . 1 . . . . 20 ASN N . 16978 1 204 . 1 1 20 20 GLN H H 1 7.661 0.004 . 1 . . . . 21 GLN H . 16978 1 205 . 1 1 20 20 GLN HA H 1 3.844 0.002 . 1 . . . . 21 GLN HA . 16978 1 206 . 1 1 20 20 GLN HB2 H 1 2.035 0.002 . 2 . . . . 21 GLN HB2 . 16978 1 207 . 1 1 20 20 GLN HB3 H 1 2.421 0.005 . 2 . . . . 21 GLN HB3 . 16978 1 208 . 1 1 20 20 GLN HG2 H 1 2.237 0.000 . 2 . . . . 21 GLN HG2 . 16978 1 209 . 1 1 20 20 GLN HG3 H 1 2.628 0.003 . 2 . . . . 21 GLN HG3 . 16978 1 210 . 1 1 20 20 GLN C C 13 176.414 0.000 . 1 . . . . 21 GLN C . 16978 1 211 . 1 1 20 20 GLN CA C 13 59.547 0.018 . 1 . . . . 21 GLN CA . 16978 1 212 . 1 1 20 20 GLN CB C 13 29.540 0.018 . 1 . . . . 21 GLN CB . 16978 1 213 . 1 1 20 20 GLN CG C 13 34.049 0.022 . 1 . . . . 21 GLN CG . 16978 1 214 . 1 1 20 20 GLN N N 15 122.963 0.007 . 1 . . . . 21 GLN N . 16978 1 215 . 1 1 21 21 CYS H H 1 8.426 0.003 . 2 . . . . 22 CYS H . 16978 1 216 . 1 1 21 21 CYS HA H 1 4.305 0.006 . 2 . . . . 22 CYS HA . 16978 1 217 . 1 1 21 21 CYS HB2 H 1 2.509 0.005 . 2 . . . . 22 CYS HB2 . 16978 1 218 . 1 1 21 21 CYS HB3 H 1 2.842 0.009 . 2 . . . . 22 CYS HB3 . 16978 1 219 . 1 1 21 21 CYS C C 13 175.800 0.000 . 2 . . . . 22 CYS C . 16978 1 220 . 1 1 21 21 CYS CA C 13 58.538 0.032 . 2 . . . . 22 CYS CA . 16978 1 221 . 1 1 21 21 CYS CB C 13 38.852 0.041 . 2 . . . . 22 CYS CB . 16978 1 222 . 1 1 21 21 CYS N N 15 119.115 0.015 . 2 . . . . 22 CYS N . 16978 1 223 . 1 1 22 22 ASN H H 1 7.987 0.006 . 1 . . . . 23 ASN H . 16978 1 224 . 1 1 22 22 ASN HA H 1 3.839 0.006 . 1 . . . . 23 ASN HA . 16978 1 225 . 1 1 22 22 ASN HB2 H 1 2.713 0.005 . 2 . . . . 23 ASN HB2 . 16978 1 226 . 1 1 22 22 ASN HB3 H 1 3.038 0.001 . 2 . . . . 23 ASN HB3 . 16978 1 227 . 1 1 22 22 ASN C C 13 175.913 0.000 . 1 . . . . 23 ASN C . 16978 1 228 . 1 1 22 22 ASN CA C 13 57.756 0.024 . 1 . . . . 23 ASN CA . 16978 1 229 . 1 1 22 22 ASN CB C 13 39.240 0.014 . 1 . . . . 23 ASN CB . 16978 1 230 . 1 1 22 22 ASN N N 15 118.724 0.013 . 1 . . . . 23 ASN N . 16978 1 231 . 1 1 23 23 TYR H H 1 8.118 0.003 . 1 . . . . 24 TYR H . 16978 1 232 . 1 1 23 23 TYR HA H 1 3.940 0.002 . 1 . . . . 24 TYR HA . 16978 1 233 . 1 1 23 23 TYR HB2 H 1 3.183 0.018 . 2 . . . . 24 TYR QB . 16978 1 234 . 1 1 23 23 TYR HB3 H 1 3.183 0.018 . 2 . . . . 24 TYR QB . 16978 1 235 . 1 1 23 23 TYR C C 13 177.972 0.000 . 1 . . . . 24 TYR C . 16978 1 236 . 1 1 23 23 TYR CA C 13 61.584 0.019 . 1 . . . . 24 TYR CA . 16978 1 237 . 1 1 23 23 TYR CB C 13 38.416 0.010 . 1 . . . . 24 TYR CB . 16978 1 238 . 1 1 23 23 TYR N N 15 118.080 0.019 . 1 . . . . 24 TYR N . 16978 1 239 . 1 1 24 24 ASP H H 1 9.045 0.002 . 1 . . . . 25 ASP H . 16978 1 240 . 1 1 24 24 ASP HA H 1 4.639 0.004 . 1 . . . . 25 ASP HA . 16978 1 241 . 1 1 24 24 ASP HB2 H 1 2.818 0.009 . 2 . . . . 25 ASP HB2 . 16978 1 242 . 1 1 24 24 ASP HB3 H 1 3.164 0.003 . 2 . . . . 25 ASP HB3 . 16978 1 243 . 1 1 24 24 ASP C C 13 179.844 0.000 . 1 . . . . 25 ASP C . 16978 1 244 . 1 1 24 24 ASP CA C 13 57.842 0.004 . 1 . . . . 25 ASP CA . 16978 1 245 . 1 1 24 24 ASP CB C 13 40.565 0.042 . 1 . . . . 25 ASP CB . 16978 1 246 . 1 1 24 24 ASP N N 15 120.032 0.007 . 1 . . . . 25 ASP N . 16978 1 247 . 1 1 25 25 CYS H H 1 9.348 0.005 . 2 . . . . 26 CYS H . 16978 1 248 . 1 1 25 25 CYS HA H 1 4.117 0.012 . 2 . . . . 26 CYS HA . 16978 1 249 . 1 1 25 25 CYS HB2 H 1 2.333 0.006 . 2 . . . . 26 CYS HB2 . 16978 1 250 . 1 1 25 25 CYS HB3 H 1 2.880 0.005 . 2 . . . . 26 CYS HB3 . 16978 1 251 . 1 1 25 25 CYS C C 13 177.647 0.000 . 2 . . . . 26 CYS C . 16978 1 252 . 1 1 25 25 CYS CA C 13 60.451 0.055 . 2 . . . . 26 CYS CA . 16978 1 253 . 1 1 25 25 CYS CB C 13 36.674 0.039 . 2 . . . . 26 CYS CB . 16978 1 254 . 1 1 25 25 CYS N N 15 120.289 0.012 . 2 . . . . 26 CYS N . 16978 1 255 . 1 1 26 26 LYS H H 1 7.677 0.004 . 1 . . . . 27 LYS H . 16978 1 256 . 1 1 26 26 LYS HA H 1 4.164 0.002 . 1 . . . . 27 LYS HA . 16978 1 257 . 1 1 26 26 LYS HB2 H 1 1.704 0.003 . 2 . . . . 27 LYS QB . 16978 1 258 . 1 1 26 26 LYS HB3 H 1 1.704 0.003 . 2 . . . . 27 LYS QB . 16978 1 259 . 1 1 26 26 LYS HG2 H 1 1.182 0.003 . 2 . . . . 27 LYS HG2 . 16978 1 260 . 1 1 26 26 LYS HG3 H 1 1.445 0.014 . 2 . . . . 27 LYS HG3 . 16978 1 261 . 1 1 26 26 LYS C C 13 179.001 0.000 . 1 . . . . 27 LYS C . 16978 1 262 . 1 1 26 26 LYS CA C 13 59.736 0.067 . 1 . . . . 27 LYS CA . 16978 1 263 . 1 1 26 26 LYS CB C 13 32.552 0.031 . 1 . . . . 27 LYS CB . 16978 1 264 . 1 1 26 26 LYS CG C 13 24.372 0.034 . 1 . . . . 27 LYS CG . 16978 1 265 . 1 1 26 26 LYS N N 15 119.898 0.014 . 1 . . . . 27 LYS N . 16978 1 266 . 1 1 27 27 LEU H H 1 8.332 0.004 . 1 . . . . 28 LEU H . 16978 1 267 . 1 1 27 27 LEU HA H 1 4.060 0.005 . 1 . . . . 28 LEU HA . 16978 1 268 . 1 1 27 27 LEU HB2 H 1 1.501 0.004 . 2 . . . . 28 LEU HB2 . 16978 1 269 . 1 1 27 27 LEU HB3 H 1 1.636 0.009 . 2 . . . . 28 LEU HB3 . 16978 1 270 . 1 1 27 27 LEU HD11 H 1 0.800 0.007 . 2 . . . . 28 LEU HD1 . 16978 1 271 . 1 1 27 27 LEU HD12 H 1 0.800 0.007 . 2 . . . . 28 LEU HD1 . 16978 1 272 . 1 1 27 27 LEU HD13 H 1 0.800 0.007 . 2 . . . . 28 LEU HD1 . 16978 1 273 . 1 1 27 27 LEU HD21 H 1 0.825 0.000 . 2 . . . . 28 LEU HD2 . 16978 1 274 . 1 1 27 27 LEU HD22 H 1 0.825 0.000 . 2 . . . . 28 LEU HD2 . 16978 1 275 . 1 1 27 27 LEU HD23 H 1 0.825 0.000 . 2 . . . . 28 LEU HD2 . 16978 1 276 . 1 1 27 27 LEU C C 13 178.510 0.000 . 1 . . . . 28 LEU C . 16978 1 277 . 1 1 27 27 LEU CA C 13 57.535 0.034 . 1 . . . . 28 LEU CA . 16978 1 278 . 1 1 27 27 LEU CB C 13 42.328 0.020 . 1 . . . . 28 LEU CB . 16978 1 279 . 1 1 27 27 LEU CD1 C 13 23.978 0.000 . 2 . . . . 28 LEU CD1 . 16978 1 280 . 1 1 27 27 LEU CD2 C 13 24.389 0.000 . 2 . . . . 28 LEU CD2 . 16978 1 281 . 1 1 27 27 LEU CG C 13 27.528 0.000 . 1 . . . . 28 LEU CG . 16978 1 282 . 1 1 27 27 LEU N N 15 120.111 0.031 . 1 . . . . 28 LEU N . 16978 1 283 . 1 1 28 28 ASP H H 1 9.000 0.004 . 1 . . . . 29 ASP H . 16978 1 284 . 1 1 28 28 ASP HA H 1 4.493 0.003 . 1 . . . . 29 ASP HA . 16978 1 285 . 1 1 28 28 ASP HB2 H 1 2.807 0.005 . 2 . . . . 29 ASP HB2 . 16978 1 286 . 1 1 28 28 ASP HB3 H 1 3.011 0.010 . 2 . . . . 29 ASP HB3 . 16978 1 287 . 1 1 28 28 ASP C C 13 178.370 0.000 . 1 . . . . 29 ASP C . 16978 1 288 . 1 1 28 28 ASP CA C 13 56.173 0.050 . 1 . . . . 29 ASP CA . 16978 1 289 . 1 1 28 28 ASP CB C 13 40.602 0.016 . 1 . . . . 29 ASP CB . 16978 1 290 . 1 1 28 28 ASP N N 15 117.021 0.010 . 1 . . . . 29 ASP N . 16978 1 291 . 1 1 29 29 LYS H H 1 6.686 0.007 . 1 . . . . 30 LYS H . 16978 1 292 . 1 1 29 29 LYS HA H 1 4.481 0.002 . 1 . . . . 30 LYS HA . 16978 1 293 . 1 1 29 29 LYS HB2 H 1 2.306 0.025 . 2 . . . . 30 LYS QB . 16978 1 294 . 1 1 29 29 LYS HB3 H 1 2.306 0.025 . 2 . . . . 30 LYS QB . 16978 1 295 . 1 1 29 29 LYS HG2 H 1 0.889 0.000 . 2 . . . . 30 LYS HG2 . 16978 1 296 . 1 1 29 29 LYS HG3 H 1 1.185 0.000 . 2 . . . . 30 LYS HG3 . 16978 1 297 . 1 1 29 29 LYS C C 13 176.664 0.000 . 1 . . . . 30 LYS C . 16978 1 298 . 1 1 29 29 LYS CA C 13 53.330 0.017 . 1 . . . . 30 LYS CA . 16978 1 299 . 1 1 29 29 LYS CB C 13 32.073 0.036 . 1 . . . . 30 LYS CB . 16978 1 300 . 1 1 29 29 LYS CD C 13 27.807 0.000 . 1 . . . . 30 LYS CD . 16978 1 301 . 1 1 29 29 LYS CG C 13 24.490 0.000 . 1 . . . . 30 LYS CG . 16978 1 302 . 1 1 29 29 LYS N N 15 112.261 0.004 . 1 . . . . 30 LYS N . 16978 1 303 . 1 1 30 30 HIS H H 1 7.072 0.004 . 1 . . . . 31 HIS H . 16978 1 304 . 1 1 30 30 HIS HA H 1 4.569 0.005 . 1 . . . . 31 HIS HA . 16978 1 305 . 1 1 30 30 HIS HB2 H 1 3.505 0.005 . 2 . . . . 31 HIS QB . 16978 1 306 . 1 1 30 30 HIS HB3 H 1 3.505 0.005 . 2 . . . . 31 HIS QB . 16978 1 307 . 1 1 30 30 HIS C C 13 174.010 0.000 . 1 . . . . 31 HIS C . 16978 1 308 . 1 1 30 30 HIS CA C 13 56.307 0.022 . 1 . . . . 31 HIS CA . 16978 1 309 . 1 1 30 30 HIS CB C 13 25.942 0.043 . 1 . . . . 31 HIS CB . 16978 1 310 . 1 1 30 30 HIS N N 15 113.107 0.016 . 1 . . . . 31 HIS N . 16978 1 311 . 1 1 31 31 ALA H H 1 7.662 0.003 . 1 . . . . 32 ALA H . 16978 1 312 . 1 1 31 31 ALA HA H 1 4.240 0.003 . 1 . . . . 32 ALA HA . 16978 1 313 . 1 1 31 31 ALA HB1 H 1 0.784 0.005 . 1 . . . . 32 ALA HB . 16978 1 314 . 1 1 31 31 ALA HB2 H 1 0.784 0.005 . 1 . . . . 32 ALA HB . 16978 1 315 . 1 1 31 31 ALA HB3 H 1 0.784 0.005 . 1 . . . . 32 ALA HB . 16978 1 316 . 1 1 31 31 ALA C C 13 175.771 0.000 . 1 . . . . 32 ALA C . 16978 1 317 . 1 1 31 31 ALA CA C 13 50.792 0.018 . 1 . . . . 32 ALA CA . 16978 1 318 . 1 1 31 31 ALA CB C 13 20.152 0.033 . 1 . . . . 32 ALA CB . 16978 1 319 . 1 1 31 31 ALA N N 15 120.676 0.016 . 1 . . . . 32 ALA N . 16978 1 320 . 1 1 32 32 ARG H H 1 8.495 0.009 . 1 . . . . 33 ARG H . 16978 1 321 . 1 1 32 32 ARG HA H 1 4.124 0.008 . 1 . . . . 33 ARG HA . 16978 1 322 . 1 1 32 32 ARG HB2 H 1 1.749 0.000 . 2 . . . . 33 ARG HB2 . 16978 1 323 . 1 1 32 32 ARG HB3 H 1 1.838 0.000 . 2 . . . . 33 ARG HB3 . 16978 1 324 . 1 1 32 32 ARG HD2 H 1 3.138 0.006 . 2 . . . . 33 ARG QD . 16978 1 325 . 1 1 32 32 ARG HD3 H 1 3.138 0.006 . 2 . . . . 33 ARG QD . 16978 1 326 . 1 1 32 32 ARG HG2 H 1 1.648 0.017 . 2 . . . . 33 ARG QG . 16978 1 327 . 1 1 32 32 ARG HG3 H 1 1.648 0.017 . 2 . . . . 33 ARG QG . 16978 1 328 . 1 1 32 32 ARG C C 13 176.769 0.000 . 1 . . . . 33 ARG C . 16978 1 329 . 1 1 32 32 ARG CA C 13 58.186 0.030 . 1 . . . . 33 ARG CA . 16978 1 330 . 1 1 32 32 ARG CB C 13 30.940 0.009 . 1 . . . . 33 ARG CB . 16978 1 331 . 1 1 32 32 ARG CD C 13 43.233 0.039 . 1 . . . . 33 ARG CD . 16978 1 332 . 1 1 32 32 ARG CG C 13 26.897 0.019 . 1 . . . . 33 ARG CG . 16978 1 333 . 1 1 32 32 ARG N N 15 118.489 0.007 . 1 . . . . 33 ARG N . 16978 1 334 . 1 1 33 33 SER H H 1 7.536 0.006 . 1 . . . . 34 SER H . 16978 1 335 . 1 1 33 33 SER HA H 1 4.613 0.005 . 1 . . . . 34 SER HA . 16978 1 336 . 1 1 33 33 SER HB2 H 1 4.041 0.003 . 2 . . . . 34 SER QB . 16978 1 337 . 1 1 33 33 SER HB3 H 1 4.041 0.003 . 2 . . . . 34 SER QB . 16978 1 338 . 1 1 33 33 SER C C 13 173.089 0.000 . 1 . . . . 34 SER C . 16978 1 339 . 1 1 33 33 SER CA C 13 57.227 0.010 . 1 . . . . 34 SER CA . 16978 1 340 . 1 1 33 33 SER CB C 13 64.798 0.042 . 1 . . . . 34 SER CB . 16978 1 341 . 1 1 33 33 SER N N 15 106.778 0.012 . 1 . . . . 34 SER N . 16978 1 342 . 1 1 34 34 GLY H H 1 8.707 0.003 . 1 . . . . 35 GLY H . 16978 1 343 . 1 1 34 34 GLY HA2 H 1 4.203 0.012 . 2 . . . . 35 GLY HA2 . 16978 1 344 . 1 1 34 34 GLY HA3 H 1 4.841 0.005 . 2 . . . . 35 GLY HA3 . 16978 1 345 . 1 1 34 34 GLY C C 13 171.040 0.000 . 1 . . . . 35 GLY C . 16978 1 346 . 1 1 34 34 GLY CA C 13 47.177 0.034 . 1 . . . . 35 GLY CA . 16978 1 347 . 1 1 34 34 GLY N N 15 108.045 0.018 . 1 . . . . 35 GLY N . 16978 1 348 . 1 1 35 35 GLU H H 1 8.423 0.004 . 1 . . . . 36 GLU H . 16978 1 349 . 1 1 35 35 GLU HA H 1 4.278 0.004 . 1 . . . . 36 GLU HA . 16978 1 350 . 1 1 35 35 GLU HB2 H 1 1.857 0.005 . 2 . . . . 36 GLU HB2 . 16978 1 351 . 1 1 35 35 GLU HB3 H 1 2.012 0.012 . 2 . . . . 36 GLU HB3 . 16978 1 352 . 1 1 35 35 GLU HG2 H 1 2.015 0.000 . 2 . . . . 36 GLU HG2 . 16978 1 353 . 1 1 35 35 GLU HG3 H 1 2.057 0.000 . 2 . . . . 36 GLU HG3 . 16978 1 354 . 1 1 35 35 GLU C C 13 174.343 0.000 . 1 . . . . 36 GLU C . 16978 1 355 . 1 1 35 35 GLU CA C 13 55.480 0.027 . 1 . . . . 36 GLU CA . 16978 1 356 . 1 1 35 35 GLU CB C 13 32.729 0.021 . 1 . . . . 36 GLU CB . 16978 1 357 . 1 1 35 35 GLU CG C 13 35.036 0.012 . 1 . . . . 36 GLU CG . 16978 1 358 . 1 1 35 35 GLU N N 15 118.101 0.027 . 1 . . . . 36 GLU N . 16978 1 359 . 1 1 36 36 CYS H H 1 8.757 0.011 . 2 . . . . 37 CYS H . 16978 1 360 . 1 1 36 36 CYS HA H 1 6.132 0.003 . 2 . . . . 37 CYS HA . 16978 1 361 . 1 1 36 36 CYS HB2 H 1 2.514 0.004 . 2 . . . . 37 CYS HB2 . 16978 1 362 . 1 1 36 36 CYS HB3 H 1 3.646 0.004 . 2 . . . . 37 CYS HB3 . 16978 1 363 . 1 1 36 36 CYS C C 13 173.831 0.000 . 2 . . . . 37 CYS C . 16978 1 364 . 1 1 36 36 CYS CA C 13 56.550 0.023 . 2 . . . . 37 CYS CA . 16978 1 365 . 1 1 36 36 CYS CB C 13 46.113 0.024 . 2 . . . . 37 CYS CB . 16978 1 366 . 1 1 36 36 CYS N N 15 119.972 0.016 . 2 . . . . 37 CYS N . 16978 1 367 . 1 1 37 37 PHE H H 1 9.038 0.003 . 1 . . . . 38 PHE H . 16978 1 368 . 1 1 37 37 PHE HA H 1 4.702 0.005 . 1 . . . . 38 PHE HA . 16978 1 369 . 1 1 37 37 PHE HB2 H 1 2.749 0.003 . 2 . . . . 38 PHE HB2 . 16978 1 370 . 1 1 37 37 PHE HB3 H 1 3.124 0.006 . 2 . . . . 38 PHE HB3 . 16978 1 371 . 1 1 37 37 PHE C C 13 174.786 0.000 . 1 . . . . 38 PHE C . 16978 1 372 . 1 1 37 37 PHE CA C 13 56.645 0.031 . 1 . . . . 38 PHE CA . 16978 1 373 . 1 1 37 37 PHE CB C 13 43.478 0.022 . 1 . . . . 38 PHE CB . 16978 1 374 . 1 1 37 37 PHE N N 15 121.155 0.019 . 1 . . . . 38 PHE N . 16978 1 375 . 1 1 38 38 TYR H H 1 8.587 0.005 . 1 . . . . 39 TYR H . 16978 1 376 . 1 1 38 38 TYR HA H 1 4.871 0.002 . 1 . . . . 39 TYR HA . 16978 1 377 . 1 1 38 38 TYR HB2 H 1 2.832 0.003 . 2 . . . . 39 TYR QB . 16978 1 378 . 1 1 38 38 TYR HB3 H 1 2.832 0.003 . 2 . . . . 39 TYR QB . 16978 1 379 . 1 1 38 38 TYR C C 13 176.646 0.000 . 1 . . . . 39 TYR C . 16978 1 380 . 1 1 38 38 TYR CA C 13 58.613 0.008 . 1 . . . . 39 TYR CA . 16978 1 381 . 1 1 38 38 TYR CB C 13 40.304 0.030 . 1 . . . . 39 TYR CB . 16978 1 382 . 1 1 38 38 TYR N N 15 121.493 0.011 . 1 . . . . 39 TYR N . 16978 1 383 . 1 1 39 39 ASP H H 1 8.575 0.003 . 1 . . . . 40 ASP H . 16978 1 384 . 1 1 39 39 ASP HA H 1 4.705 0.006 . 1 . . . . 40 ASP HA . 16978 1 385 . 1 1 39 39 ASP HB2 H 1 2.748 0.006 . 2 . . . . 40 ASP HB2 . 16978 1 386 . 1 1 39 39 ASP HB3 H 1 3.320 0.006 . 2 . . . . 40 ASP HB3 . 16978 1 387 . 1 1 39 39 ASP C C 13 178.544 0.000 . 1 . . . . 40 ASP C . 16978 1 388 . 1 1 39 39 ASP CA C 13 52.359 0.027 . 1 . . . . 40 ASP CA . 16978 1 389 . 1 1 39 39 ASP CB C 13 41.447 0.021 . 1 . . . . 40 ASP CB . 16978 1 390 . 1 1 39 39 ASP N N 15 123.208 0.007 . 1 . . . . 40 ASP N . 16978 1 391 . 1 1 40 40 GLU H H 1 9.057 0.008 . 1 . . . . 41 GLU H . 16978 1 392 . 1 1 40 40 GLU HA H 1 4.181 0.005 . 1 . . . . 41 GLU HA . 16978 1 393 . 1 1 40 40 GLU HB2 H 1 2.125 0.003 . 2 . . . . 41 GLU QB . 16978 1 394 . 1 1 40 40 GLU HB3 H 1 2.125 0.003 . 2 . . . . 41 GLU QB . 16978 1 395 . 1 1 40 40 GLU HG2 H 1 2.372 0.004 . 2 . . . . 41 GLU QG . 16978 1 396 . 1 1 40 40 GLU HG3 H 1 2.372 0.004 . 2 . . . . 41 GLU QG . 16978 1 397 . 1 1 40 40 GLU C C 13 177.426 0.000 . 1 . . . . 41 GLU C . 16978 1 398 . 1 1 40 40 GLU CA C 13 59.077 0.014 . 1 . . . . 41 GLU CA . 16978 1 399 . 1 1 40 40 GLU CB C 13 28.869 0.010 . 1 . . . . 41 GLU CB . 16978 1 400 . 1 1 40 40 GLU CG C 13 36.172 0.002 . 1 . . . . 41 GLU CG . 16978 1 401 . 1 1 40 40 GLU N N 15 118.023 0.016 . 1 . . . . 41 GLU N . 16978 1 402 . 1 1 41 41 LYS H H 1 8.124 0.004 . 1 . . . . 42 LYS H . 16978 1 403 . 1 1 41 41 LYS HA H 1 4.388 0.027 . 1 . . . . 42 LYS HA . 16978 1 404 . 1 1 41 41 LYS HB2 H 1 1.794 0.007 . 2 . . . . 42 LYS HB2 . 16978 1 405 . 1 1 41 41 LYS HB3 H 1 2.048 0.006 . 2 . . . . 42 LYS HB3 . 16978 1 406 . 1 1 41 41 LYS HG2 H 1 1.360 0.000 . 2 . . . . 42 LYS HG2 . 16978 1 407 . 1 1 41 41 LYS HG3 H 1 1.436 0.000 . 2 . . . . 42 LYS HG3 . 16978 1 408 . 1 1 41 41 LYS C C 13 175.408 0.000 . 1 . . . . 42 LYS C . 16978 1 409 . 1 1 41 41 LYS CA C 13 55.486 0.053 . 1 . . . . 42 LYS CA . 16978 1 410 . 1 1 41 41 LYS CB C 13 32.063 0.022 . 1 . . . . 42 LYS CB . 16978 1 411 . 1 1 41 41 LYS CD C 13 28.963 0.000 . 1 . . . . 42 LYS CD . 16978 1 412 . 1 1 41 41 LYS CE C 13 42.348 0.000 . 1 . . . . 42 LYS CE . 16978 1 413 . 1 1 41 41 LYS CG C 13 25.410 0.013 . 1 . . . . 42 LYS CG . 16978 1 414 . 1 1 41 41 LYS N N 15 120.126 0.017 . 1 . . . . 42 LYS N . 16978 1 415 . 1 1 42 42 ARG H H 1 8.289 0.004 . 1 . . . . 43 ARG H . 16978 1 416 . 1 1 42 42 ARG HA H 1 3.601 0.003 . 1 . . . . 43 ARG HA . 16978 1 417 . 1 1 42 42 ARG HB2 H 1 2.040 0.006 . 2 . . . . 43 ARG QB . 16978 1 418 . 1 1 42 42 ARG HB3 H 1 2.040 0.006 . 2 . . . . 43 ARG QB . 16978 1 419 . 1 1 42 42 ARG HD2 H 1 3.021 0.003 . 2 . . . . 43 ARG QD . 16978 1 420 . 1 1 42 42 ARG HD3 H 1 3.021 0.003 . 2 . . . . 43 ARG QD . 16978 1 421 . 1 1 42 42 ARG HG2 H 1 1.482 0.011 . 2 . . . . 43 ARG QG . 16978 1 422 . 1 1 42 42 ARG HG3 H 1 1.482 0.011 . 2 . . . . 43 ARG QG . 16978 1 423 . 1 1 42 42 ARG C C 13 174.984 0.000 . 1 . . . . 43 ARG C . 16978 1 424 . 1 1 42 42 ARG CA C 13 57.545 0.023 . 1 . . . . 43 ARG CA . 16978 1 425 . 1 1 42 42 ARG CB C 13 26.398 0.038 . 1 . . . . 43 ARG CB . 16978 1 426 . 1 1 42 42 ARG CD C 13 42.653 0.026 . 1 . . . . 43 ARG CD . 16978 1 427 . 1 1 42 42 ARG CG C 13 27.242 0.037 . 1 . . . . 43 ARG CG . 16978 1 428 . 1 1 42 42 ARG N N 15 113.468 0.009 . 1 . . . . 43 ARG N . 16978 1 429 . 1 1 43 43 ASN H H 1 8.711 0.004 . 1 . . . . 44 ASN H . 16978 1 430 . 1 1 43 43 ASN HA H 1 4.948 0.003 . 1 . . . . 44 ASN HA . 16978 1 431 . 1 1 43 43 ASN HB2 H 1 2.656 0.028 . 2 . . . . 44 ASN HB2 . 16978 1 432 . 1 1 43 43 ASN HB3 H 1 2.928 0.006 . 2 . . . . 44 ASN HB3 . 16978 1 433 . 1 1 43 43 ASN C C 13 174.882 0.000 . 1 . . . . 44 ASN C . 16978 1 434 . 1 1 43 43 ASN CA C 13 52.831 0.013 . 1 . . . . 44 ASN CA . 16978 1 435 . 1 1 43 43 ASN CB C 13 39.312 0.035 . 1 . . . . 44 ASN CB . 16978 1 436 . 1 1 43 43 ASN N N 15 118.190 0.006 . 1 . . . . 44 ASN N . 16978 1 437 . 1 1 44 44 LEU H H 1 8.459 0.003 . 1 . . . . 45 LEU H . 16978 1 438 . 1 1 44 44 LEU HA H 1 4.164 0.003 . 1 . . . . 45 LEU HA . 16978 1 439 . 1 1 44 44 LEU HB2 H 1 1.240 0.005 . 2 . . . . 45 LEU HB2 . 16978 1 440 . 1 1 44 44 LEU HB3 H 1 1.492 0.008 . 2 . . . . 45 LEU HB3 . 16978 1 441 . 1 1 44 44 LEU HD11 H 1 0.869 0.000 . 2 . . . . 45 LEU HD1 . 16978 1 442 . 1 1 44 44 LEU HD12 H 1 0.869 0.000 . 2 . . . . 45 LEU HD1 . 16978 1 443 . 1 1 44 44 LEU HD13 H 1 0.869 0.000 . 2 . . . . 45 LEU HD1 . 16978 1 444 . 1 1 44 44 LEU HD21 H 1 0.901 0.000 . 2 . . . . 45 LEU HD2 . 16978 1 445 . 1 1 44 44 LEU HD22 H 1 0.901 0.000 . 2 . . . . 45 LEU HD2 . 16978 1 446 . 1 1 44 44 LEU HD23 H 1 0.901 0.000 . 2 . . . . 45 LEU HD2 . 16978 1 447 . 1 1 44 44 LEU HG H 1 1.264 0.000 . 1 . . . . 45 LEU HG . 16978 1 448 . 1 1 44 44 LEU C C 13 175.568 0.000 . 1 . . . . 45 LEU C . 16978 1 449 . 1 1 44 44 LEU CA C 13 55.151 0.039 . 1 . . . . 45 LEU CA . 16978 1 450 . 1 1 44 44 LEU CB C 13 43.244 0.014 . 1 . . . . 45 LEU CB . 16978 1 451 . 1 1 44 44 LEU CD1 C 13 23.180 0.035 . 2 . . . . 45 LEU CD1 . 16978 1 452 . 1 1 44 44 LEU CD2 C 13 25.071 0.000 . 2 . . . . 45 LEU CD2 . 16978 1 453 . 1 1 44 44 LEU CG C 13 26.597 0.031 . 1 . . . . 45 LEU CG . 16978 1 454 . 1 1 44 44 LEU N N 15 126.135 0.013 . 1 . . . . 45 LEU N . 16978 1 455 . 1 1 45 45 GLN H H 1 8.445 0.004 . 1 . . . . 46 GLN H . 16978 1 456 . 1 1 45 45 GLN HA H 1 4.672 0.008 . 1 . . . . 46 GLN HA . 16978 1 457 . 1 1 45 45 GLN HB2 H 1 1.823 0.000 . 2 . . . . 46 GLN HB2 . 16978 1 458 . 1 1 45 45 GLN HB3 H 1 2.042 0.004 . 2 . . . . 46 GLN HB3 . 16978 1 459 . 1 1 45 45 GLN HG2 H 1 2.284 0.003 . 2 . . . . 46 GLN QG . 16978 1 460 . 1 1 45 45 GLN HG3 H 1 2.284 0.003 . 2 . . . . 46 GLN QG . 16978 1 461 . 1 1 45 45 GLN C C 13 174.492 0.000 . 1 . . . . 46 GLN C . 16978 1 462 . 1 1 45 45 GLN CA C 13 53.958 0.040 . 1 . . . . 46 GLN CA . 16978 1 463 . 1 1 45 45 GLN CB C 13 32.610 0.018 . 1 . . . . 46 GLN CB . 16978 1 464 . 1 1 45 45 GLN CG C 13 33.110 0.061 . 1 . . . . 46 GLN CG . 16978 1 465 . 1 1 45 45 GLN N N 15 120.694 0.014 . 1 . . . . 46 GLN N . 16978 1 466 . 1 1 46 46 CYS H H 1 9.159 0.004 . 2 . . . . 47 CYS H . 16978 1 467 . 1 1 46 46 CYS HA H 1 4.813 0.004 . 2 . . . . 47 CYS HA . 16978 1 468 . 1 1 46 46 CYS HB2 H 1 1.663 0.002 . 2 . . . . 47 CYS HB2 . 16978 1 469 . 1 1 46 46 CYS HB3 H 1 2.493 0.004 . 2 . . . . 47 CYS HB3 . 16978 1 470 . 1 1 46 46 CYS C C 13 172.031 0.000 . 2 . . . . 47 CYS C . 16978 1 471 . 1 1 46 46 CYS CA C 13 55.054 0.026 . 2 . . . . 47 CYS CA . 16978 1 472 . 1 1 46 46 CYS CB C 13 38.417 0.013 . 2 . . . . 47 CYS CB . 16978 1 473 . 1 1 46 46 CYS N N 15 122.011 0.007 . 2 . . . . 47 CYS N . 16978 1 474 . 1 1 47 47 ILE H H 1 8.716 0.004 . 1 . . . . 48 ILE H . 16978 1 475 . 1 1 47 47 ILE HA H 1 4.357 0.002 . 1 . . . . 48 ILE HA . 16978 1 476 . 1 1 47 47 ILE HB H 1 2.014 0.002 . 1 . . . . 48 ILE HB . 16978 1 477 . 1 1 47 47 ILE HD11 H 1 0.684 0.000 . 1 . . . . 48 ILE HD1 . 16978 1 478 . 1 1 47 47 ILE HD12 H 1 0.684 0.000 . 1 . . . . 48 ILE HD1 . 16978 1 479 . 1 1 47 47 ILE HD13 H 1 0.684 0.000 . 1 . . . . 48 ILE HD1 . 16978 1 480 . 1 1 47 47 ILE HG12 H 1 1.055 0.001 . 2 . . . . 48 ILE HG12 . 16978 1 481 . 1 1 47 47 ILE HG13 H 1 1.539 0.002 . 2 . . . . 48 ILE HG13 . 16978 1 482 . 1 1 47 47 ILE HG21 H 1 0.716 0.001 . 1 . . . . 48 ILE HG2 . 16978 1 483 . 1 1 47 47 ILE HG22 H 1 0.716 0.001 . 1 . . . . 48 ILE HG2 . 16978 1 484 . 1 1 47 47 ILE HG23 H 1 0.716 0.001 . 1 . . . . 48 ILE HG2 . 16978 1 485 . 1 1 47 47 ILE C C 13 174.892 0.000 . 1 . . . . 48 ILE C . 16978 1 486 . 1 1 47 47 ILE CA C 13 60.429 0.022 . 1 . . . . 48 ILE CA . 16978 1 487 . 1 1 47 47 ILE CB C 13 39.126 0.012 . 1 . . . . 48 ILE CB . 16978 1 488 . 1 1 47 47 ILE CD1 C 13 12.724 0.025 . 1 . . . . 48 ILE CD1 . 16978 1 489 . 1 1 47 47 ILE CG1 C 13 28.095 0.002 . 1 . . . . 48 ILE CG1 . 16978 1 490 . 1 1 47 47 ILE CG2 C 13 18.099 0.019 . 1 . . . . 48 ILE CG2 . 16978 1 491 . 1 1 47 47 ILE N N 15 129.476 0.010 . 1 . . . . 48 ILE N . 16978 1 492 . 1 1 48 48 CYS H H 1 8.411 0.005 . 2 . . . . 49 CYS H . 16978 1 493 . 1 1 48 48 CYS HA H 1 5.368 0.003 . 2 . . . . 49 CYS HA . 16978 1 494 . 1 1 48 48 CYS HB2 H 1 2.624 0.007 . 2 . . . . 49 CYS QB . 16978 1 495 . 1 1 48 48 CYS HB3 H 1 2.624 0.007 . 2 . . . . 49 CYS QB . 16978 1 496 . 1 1 48 48 CYS C C 13 173.114 0.000 . 2 . . . . 49 CYS C . 16978 1 497 . 1 1 48 48 CYS CA C 13 51.543 0.011 . 2 . . . . 49 CYS CA . 16978 1 498 . 1 1 48 48 CYS CB C 13 36.978 0.016 . 2 . . . . 49 CYS CB . 16978 1 499 . 1 1 48 48 CYS N N 15 124.277 0.046 . 2 . . . . 49 CYS N . 16978 1 500 . 1 1 49 49 ASP H H 1 8.629 0.004 . 1 . . . . 50 ASP H . 16978 1 501 . 1 1 49 49 ASP HA H 1 5.086 0.002 . 1 . . . . 50 ASP HA . 16978 1 502 . 1 1 49 49 ASP HB2 H 1 2.510 0.005 . 2 . . . . 50 ASP QB . 16978 1 503 . 1 1 49 49 ASP HB3 H 1 2.510 0.005 . 2 . . . . 50 ASP QB . 16978 1 504 . 1 1 49 49 ASP C C 13 174.298 0.000 . 1 . . . . 50 ASP C . 16978 1 505 . 1 1 49 49 ASP CA C 13 53.462 0.034 . 1 . . . . 50 ASP CA . 16978 1 506 . 1 1 49 49 ASP CB C 13 42.077 0.036 . 1 . . . . 50 ASP CB . 16978 1 507 . 1 1 49 49 ASP N N 15 122.173 0.091 . 1 . . . . 50 ASP N . 16978 1 508 . 1 1 50 50 TYR H H 1 9.137 0.003 . 1 . . . . 51 TYR H . 16978 1 509 . 1 1 50 50 TYR HA H 1 4.715 0.009 . 1 . . . . 51 TYR HA . 16978 1 510 . 1 1 50 50 TYR HB2 H 1 2.922 0.003 . 2 . . . . 51 TYR HB2 . 16978 1 511 . 1 1 50 50 TYR HB3 H 1 3.095 0.002 . 2 . . . . 51 TYR HB3 . 16978 1 512 . 1 1 50 50 TYR C C 13 175.913 0.000 . 1 . . . . 51 TYR C . 16978 1 513 . 1 1 50 50 TYR CA C 13 57.693 0.017 . 1 . . . . 51 TYR CA . 16978 1 514 . 1 1 50 50 TYR CB C 13 39.246 0.012 . 1 . . . . 51 TYR CB . 16978 1 515 . 1 1 50 50 TYR N N 15 123.847 0.027 . 1 . . . . 51 TYR N . 16978 1 516 . 1 1 51 51 CYS H H 1 8.631 0.006 . 2 . . . . 52 CYS H . 16978 1 517 . 1 1 51 51 CYS HA H 1 5.157 0.002 . 2 . . . . 52 CYS HA . 16978 1 518 . 1 1 51 51 CYS HB2 H 1 2.846 0.002 . 2 . . . . 52 CYS HB2 . 16978 1 519 . 1 1 51 51 CYS HB3 H 1 2.953 0.004 . 2 . . . . 52 CYS HB3 . 16978 1 520 . 1 1 51 51 CYS C C 13 173.346 0.000 . 2 . . . . 52 CYS C . 16978 1 521 . 1 1 51 51 CYS CA C 13 55.359 0.014 . 2 . . . . 52 CYS CA . 16978 1 522 . 1 1 51 51 CYS CB C 13 46.311 0.016 . 2 . . . . 52 CYS CB . 16978 1 523 . 1 1 51 51 CYS N N 15 122.563 0.022 . 2 . . . . 52 CYS N . 16978 1 524 . 1 1 52 52 GLU H H 1 8.267 0.005 . 1 . . . . 53 GLU H . 16978 1 525 . 1 1 52 52 GLU HA H 1 4.300 0.005 . 1 . . . . 53 GLU HA . 16978 1 526 . 1 1 52 52 GLU HB2 H 1 1.886 0.003 . 2 . . . . 53 GLU HB2 . 16978 1 527 . 1 1 52 52 GLU HB3 H 1 2.046 0.005 . 2 . . . . 53 GLU HB3 . 16978 1 528 . 1 1 52 52 GLU HG2 H 1 2.219 0.000 . 2 . . . . 53 GLU HG2 . 16978 1 529 . 1 1 52 52 GLU HG3 H 1 2.252 0.000 . 2 . . . . 53 GLU HG3 . 16978 1 530 . 1 1 52 52 GLU C C 13 174.739 0.000 . 1 . . . . 53 GLU C . 16978 1 531 . 1 1 52 52 GLU CA C 13 56.371 0.026 . 1 . . . . 53 GLU CA . 16978 1 532 . 1 1 52 52 GLU CB C 13 30.892 0.015 . 1 . . . . 53 GLU CB . 16978 1 533 . 1 1 52 52 GLU CG C 13 36.058 0.006 . 1 . . . . 53 GLU CG . 16978 1 534 . 1 1 52 52 GLU N N 15 122.340 0.015 . 1 . . . . 53 GLU N . 16978 1 535 . 1 1 53 53 TYR H H 1 7.765 0.004 . 1 . . . . 54 TYR H . 16978 1 536 . 1 1 53 53 TYR HA H 1 4.367 0.002 . 1 . . . . 54 TYR HA . 16978 1 537 . 1 1 53 53 TYR CA C 13 59.242 0.024 . 1 . . . . 54 TYR CA . 16978 1 538 . 1 1 53 53 TYR CB C 13 39.551 0.000 . 1 . . . . 54 TYR CB . 16978 1 539 . 1 1 53 53 TYR N N 15 125.403 0.031 . 1 . . . . 54 TYR N . 16978 1 stop_ save_