################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25535 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 DARR 1 $sample_1 solid 25535 1 2 NCA 1 $sample_1 solid 25535 1 3 NCO 1 $sample_1 solid 25535 1 5 CANCO 1 $sample_1 solid 25535 1 6 NCOCA 1 $sample_1 solid 25535 1 7 NCACO 1 $sample_1 solid 25535 1 8 CCC 1 $sample_1 solid 25535 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 40 40 VAL C C 13 177.448 0.127 . 1 . . . . 40 Val C . 25535 1 2 . 1 1 40 40 VAL CA C 13 60.223 0.103 . 1 . . . . 40 Val CA . 25535 1 3 . 1 1 40 40 VAL CB C 13 35.547 0.051 . 1 . . . . 40 Val CB . 25535 1 4 . 1 1 40 40 VAL CG1 C 13 21.977 0.037 . 2 . . . . 40 Val CG1 . 25535 1 5 . 1 1 40 40 VAL CG2 C 13 21.122 0.093 . 2 . . . . 40 Val CG2 . 25535 1 6 . 1 1 40 40 VAL N N 15 126.192 0.043 . 1 . . . . 40 Val N . 25535 1 7 . 1 1 41 41 GLY C C 13 174.927 0.053 . 1 . . . . 41 Gly C . 25535 1 8 . 1 1 41 41 GLY CA C 13 48.091 0.134 . 1 . . . . 41 Gly CA . 25535 1 9 . 1 1 41 41 GLY N N 15 119.660 0.220 . 1 . . . . 41 Gly N . 25535 1 10 . 1 1 42 42 SER C C 13 171.916 0.071 . 1 . . . . 42 Ser C . 25535 1 11 . 1 1 42 42 SER CA C 13 58.931 0.057 . 1 . . . . 42 Ser CA . 25535 1 12 . 1 1 42 42 SER CB C 13 68.878 0.084 . 1 . . . . 42 Ser CB . 25535 1 13 . 1 1 42 42 SER N N 15 113.521 0.111 . 1 . . . . 42 Ser N . 25535 1 14 . 1 1 43 43 LYS C C 13 176.022 0.049 . 1 . . . . 43 Lys C . 25535 1 15 . 1 1 43 43 LYS CA C 13 55.052 0.087 . 1 . . . . 43 Lys CA . 25535 1 16 . 1 1 43 43 LYS CB C 13 37.661 0.123 . 1 . . . . 43 Lys CB . 25535 1 17 . 1 1 43 43 LYS CD C 13 30.373 0.079 . 1 . . . . 43 Lys CD . 25535 1 18 . 1 1 43 43 LYS CE C 13 42.003 0.053 . 1 . . . . 43 Lys CE . 25535 1 19 . 1 1 43 43 LYS CG C 13 25.777 0.090 . 1 . . . . 43 Lys CG . 25535 1 20 . 1 1 43 43 LYS N N 15 118.141 0.137 . 1 . . . . 43 Lys N . 25535 1 21 . 1 1 44 44 THR C C 13 175.515 0.074 . 1 . . . . 44 Thr C . 25535 1 22 . 1 1 44 44 THR CA C 13 58.863 0.116 . 1 . . . . 44 Thr CA . 25535 1 23 . 1 1 44 44 THR CB C 13 71.088 0.047 . 1 . . . . 44 Thr CB . 25535 1 24 . 1 1 44 44 THR CG2 C 13 21.419 0.103 . 1 . . . . 44 Thr CG2 . 25535 1 25 . 1 1 44 44 THR N N 15 110.579 0.221 . 1 . . . . 44 Thr N . 25535 1 26 . 1 1 45 45 LYS C C 13 174.669 0.139 . 1 . . . . 45 Lys C . 25535 1 27 . 1 1 45 45 LYS CA C 13 56.462 0.118 . 1 . . . . 45 Lys CA . 25535 1 28 . 1 1 45 45 LYS CB C 13 37.477 0.064 . 1 . . . . 45 Lys CB . 25535 1 29 . 1 1 45 45 LYS CD C 13 31.002 0.145 . 1 . . . . 45 Lys CD . 25535 1 30 . 1 1 45 45 LYS CE C 13 42.393 0.083 . 1 . . . . 45 Lys CE . 25535 1 31 . 1 1 45 45 LYS CG C 13 27.303 0.104 . 1 . . . . 45 Lys CG . 25535 1 32 . 1 1 45 45 LYS N N 15 122.531 0.197 . 1 . . . . 45 Lys N . 25535 1 33 . 1 1 46 46 GLU C C 13 174.969 0.067 . 1 . . . . 46 Glu C . 25535 1 34 . 1 1 46 46 GLU CA C 13 53.606 0.081 . 1 . . . . 46 Glu CA . 25535 1 35 . 1 1 46 46 GLU CB C 13 34.470 0.123 . 1 . . . . 46 Glu CB . 25535 1 36 . 1 1 46 46 GLU CD C 13 184.695 0.029 . 1 . . . . 46 Glu CD . 25535 1 37 . 1 1 46 46 GLU CG C 13 36.395 0.091 . 1 . . . . 46 Glu CG . 25535 1 38 . 1 1 46 46 GLU N N 15 126.044 0.135 . 1 . . . . 46 Glu N . 25535 1 39 . 1 1 47 47 GLY C C 13 172.200 0.070 . 1 . . . . 47 Gly C . 25535 1 40 . 1 1 47 47 GLY CA C 13 48.286 0.071 . 1 . . . . 47 Gly CA . 25535 1 41 . 1 1 47 47 GLY N N 15 115.840 0.065 . 1 . . . . 47 Gly N . 25535 1 42 . 1 1 48 48 VAL C C 13 173.770 0.104 . 1 . . . . 48 Val C . 25535 1 43 . 1 1 48 48 VAL CA C 13 59.291 0.072 . 1 . . . . 48 Val CA . 25535 1 44 . 1 1 48 48 VAL CB C 13 37.277 0.085 . 1 . . . . 48 Val CB . 25535 1 45 . 1 1 48 48 VAL CG1 C 13 21.382 0.057 . 2 . . . . 48 Val CG1 . 25535 1 46 . 1 1 48 48 VAL CG2 C 13 23.465 0.073 . 2 . . . . 48 Val CG2 . 25535 1 47 . 1 1 48 48 VAL N N 15 119.771 0.085 . 1 . . . . 48 Val N . 25535 1 48 . 1 1 49 49 VAL C C 13 174.948 0.054 . 1 . . . . 49 Val C . 25535 1 49 . 1 1 49 49 VAL CA C 13 59.675 0.112 . 1 . . . . 49 Val CA . 25535 1 50 . 1 1 49 49 VAL CB C 13 35.651 0.046 . 1 . . . . 49 Val CB . 25535 1 51 . 1 1 49 49 VAL CG1 C 13 21.300 0.077 . 2 . . . . 49 Val CG1 . 25535 1 52 . 1 1 49 49 VAL CG2 C 13 23.168 0.068 . 2 . . . . 49 Val CG2 . 25535 1 53 . 1 1 49 49 VAL N N 15 125.971 0.140 . 1 . . . . 49 Val N . 25535 1 54 . 1 1 50 50 HIS C C 13 174.542 0.098 . 1 . . . . 50 His C . 25535 1 55 . 1 1 50 50 HIS CA C 13 53.734 0.086 . 1 . . . . 50 His CA . 25535 1 56 . 1 1 50 50 HIS CB C 13 30.226 0.080 . 1 . . . . 50 His CB . 25535 1 57 . 1 1 50 50 HIS N N 15 119.077 0.210 . 1 . . . . 50 His N . 25535 1 58 . 1 1 51 51 GLY C C 13 171.847 0.086 . 1 . . . . 51 Gly C . 25535 1 59 . 1 1 51 51 GLY CA C 13 48.769 0.097 . 1 . . . . 51 Gly CA . 25535 1 60 . 1 1 51 51 GLY N N 15 109.811 0.104 . 1 . . . . 51 Gly N . 25535 1 61 . 1 1 52 52 VAL C C 13 172.979 0.091 . 1 . . . . 52 Val C . 25535 1 62 . 1 1 52 52 VAL CA C 13 59.915 0.091 . 1 . . . . 52 Val CA . 25535 1 63 . 1 1 52 52 VAL CB C 13 35.663 0.056 . 1 . . . . 52 Val CB . 25535 1 64 . 1 1 52 52 VAL CG1 C 13 20.157 0.059 . 2 . . . . 52 Val CG1 . 25535 1 65 . 1 1 52 52 VAL CG2 C 13 20.813 0.130 . 2 . . . . 52 Val CG2 . 25535 1 66 . 1 1 52 52 VAL N N 15 122.201 0.112 . 1 . . . . 52 Val N . 25535 1 67 . 1 1 53 53 ALA C C 13 176.213 0.066 . 1 . . . . 53 Ala C . 25535 1 68 . 1 1 53 53 ALA CA C 13 49.431 0.070 . 1 . . . . 53 Ala CA . 25535 1 69 . 1 1 53 53 ALA CB C 13 23.209 0.082 . 1 . . . . 53 Ala CB . 25535 1 70 . 1 1 53 53 ALA N N 15 129.725 0.063 . 1 . . . . 53 Ala N . 25535 1 71 . 1 1 54 54 THR C C 13 173.305 0.076 . 1 . . . . 54 Thr C . 25535 1 72 . 1 1 54 54 THR CA C 13 58.527 0.071 . 1 . . . . 54 Thr CA . 25535 1 73 . 1 1 54 54 THR CB C 13 71.449 0.055 . 1 . . . . 54 Thr CB . 25535 1 74 . 1 1 54 54 THR CG2 C 13 20.401 0.096 . 1 . . . . 54 Thr CG2 . 25535 1 75 . 1 1 54 54 THR N N 15 111.958 0.124 . 1 . . . . 54 Thr N . 25535 1 76 . 1 1 55 55 VAL C C 13 174.948 0.058 . 1 . . . . 55 Val C . 25535 1 77 . 1 1 55 55 VAL CA C 13 61.251 0.078 . 1 . . . . 55 Val CA . 25535 1 78 . 1 1 55 55 VAL CB C 13 36.281 0.083 . 1 . . . . 55 Val CB . 25535 1 79 . 1 1 55 55 VAL CG1 C 13 21.923 0.071 . 2 . . . . 55 Val CG1 . 25535 1 80 . 1 1 55 55 VAL CG2 C 13 22.841 0.066 . 2 . . . . 55 Val CG2 . 25535 1 81 . 1 1 55 55 VAL N N 15 120.510 0.079 . 1 . . . . 55 Val N . 25535 1 82 . 1 1 56 56 ALA C C 13 176.051 0.079 . 1 . . . . 56 Ala C . 25535 1 83 . 1 1 56 56 ALA CA C 13 50.511 0.057 . 1 . . . . 56 Ala CA . 25535 1 84 . 1 1 56 56 ALA CB C 13 21.592 0.048 . 1 . . . . 56 Ala CB . 25535 1 85 . 1 1 56 56 ALA N N 15 133.015 0.097 . 1 . . . . 56 Ala N . 25535 1 86 . 1 1 57 57 GLU C C 13 175.666 0.045 . 1 . . . . 57 Glu C . 25535 1 87 . 1 1 57 57 GLU CA C 13 53.782 0.089 . 1 . . . . 57 Glu CA . 25535 1 88 . 1 1 57 57 GLU N N 15 119.491 0.109 . 1 . . . . 57 Glu N . 25535 1 89 . 1 1 58 58 LYS C C 13 174.960 0.069 . 1 . . . . 58 Lys C . 25535 1 90 . 1 1 58 58 LYS CA C 13 57.894 0.059 . 1 . . . . 58 Lys CA . 25535 1 91 . 1 1 58 58 LYS CB C 13 30.203 0.071 . 1 . . . . 58 Lys CB . 25535 1 92 . 1 1 58 58 LYS CD C 13 31.199 0.031 . 1 . . . . 58 Lys CD . 25535 1 93 . 1 1 58 58 LYS CE C 13 42.274 0.090 . 1 . . . . 58 Lys CE . 25535 1 94 . 1 1 58 58 LYS CG C 13 27.879 0.110 . 1 . . . . 58 Lys CG . 25535 1 95 . 1 1 58 58 LYS N N 15 117.001 0.297 . 1 . . . . 58 Lys N . 25535 1 96 . 1 1 59 59 THR C C 13 174.486 0.082 . 1 . . . . 59 Thr C . 25535 1 97 . 1 1 59 59 THR CA C 13 61.070 0.050 . 1 . . . . 59 Thr CA . 25535 1 98 . 1 1 59 59 THR CB C 13 69.365 0.044 . 1 . . . . 59 Thr CB . 25535 1 99 . 1 1 59 59 THR CG2 C 13 23.366 0.073 . 1 . . . . 59 Thr CG2 . 25535 1 100 . 1 1 59 59 THR N N 15 106.530 0.065 . 1 . . . . 59 Thr N . 25535 1 101 . 1 1 60 60 LYS C C 13 175.103 0.069 . 1 . . . . 60 Lys C . 25535 1 102 . 1 1 60 60 LYS CA C 13 55.879 0.069 . 1 . . . . 60 Lys CA . 25535 1 103 . 1 1 60 60 LYS CB C 13 36.670 0.064 . 1 . . . . 60 Lys CB . 25535 1 104 . 1 1 60 60 LYS CD C 13 30.010 0.023 . 1 . . . . 60 Lys CD . 25535 1 105 . 1 1 60 60 LYS CG C 13 25.919 0.060 . 1 . . . . 60 Lys CG . 25535 1 106 . 1 1 60 60 LYS N N 15 121.617 0.058 . 1 . . . . 60 Lys N . 25535 1 107 . 1 1 61 61 GLU C C 13 174.294 0.059 . 1 . . . . 61 Glu C . 25535 1 108 . 1 1 61 61 GLU CA C 13 54.829 0.098 . 1 . . . . 61 Glu CA . 25535 1 109 . 1 1 61 61 GLU CB C 13 32.242 0.018 . 1 . . . . 61 Glu CB . 25535 1 110 . 1 1 61 61 GLU N N 15 127.949 0.202 . 1 . . . . 61 Glu N . 25535 1 111 . 1 1 62 62 GLN C C 13 173.618 0.078 . 1 . . . . 62 Gln C . 25535 1 112 . 1 1 62 62 GLN CA C 13 54.455 0.076 . 1 . . . . 62 Gln CA . 25535 1 113 . 1 1 62 62 GLN CB C 13 32.272 0.065 . 1 . . . . 62 Gln CB . 25535 1 114 . 1 1 62 62 GLN CD C 13 179.565 0.061 . 1 . . . . 62 Gln CD . 25535 1 115 . 1 1 62 62 GLN CG C 13 34.252 0.063 . 1 . . . . 62 Gln CG . 25535 1 116 . 1 1 62 62 GLN N N 15 129.054 0.139 . 1 . . . . 62 Gln N . 25535 1 117 . 1 1 62 62 GLN NE2 N 15 111.456 0.099 . 1 . . . . 62 Gln NE2 . 25535 1 118 . 1 1 63 63 VAL C C 13 175.051 0.037 . 1 . . . . 63 Val C . 25535 1 119 . 1 1 63 63 VAL CA C 13 61.200 0.089 . 1 . . . . 63 Val CA . 25535 1 120 . 1 1 63 63 VAL CB C 13 35.477 0.092 . 1 . . . . 63 Val CB . 25535 1 121 . 1 1 63 63 VAL CG2 C 13 20.489 0.053 . 1 . . . . 63 Val CG2 . 25535 1 122 . 1 1 63 63 VAL N N 15 125.831 0.125 . 1 . . . . 63 Val N . 25535 1 123 . 1 1 64 64 THR C C 13 172.309 0.055 . 1 . . . . 64 Thr C . 25535 1 124 . 1 1 64 64 THR CA C 13 62.444 0.077 . 1 . . . . 64 Thr CA . 25535 1 125 . 1 1 64 64 THR CB C 13 69.722 0.064 . 1 . . . . 64 Thr CB . 25535 1 126 . 1 1 64 64 THR CG2 C 13 21.508 0.052 . 1 . . . . 64 Thr CG2 . 25535 1 127 . 1 1 64 64 THR N N 15 127.128 0.139 . 1 . . . . 64 Thr N . 25535 1 128 . 1 1 65 65 ASN C C 13 172.456 0.053 . 1 . . . . 65 Asn C . 25535 1 129 . 1 1 65 65 ASN CA C 13 52.396 0.072 . 1 . . . . 65 Asn CA . 25535 1 130 . 1 1 65 65 ASN CB C 13 42.818 0.084 . 1 . . . . 65 Asn CB . 25535 1 131 . 1 1 65 65 ASN CG C 13 174.315 0.051 . 1 . . . . 65 Asn CG . 25535 1 132 . 1 1 65 65 ASN N N 15 126.512 0.107 . 1 . . . . 65 Asn N . 25535 1 133 . 1 1 65 65 ASN ND2 N 15 115.056 0.046 . 1 . . . . 65 Asn ND2 . 25535 1 134 . 1 1 66 66 VAL C C 13 177.787 0.063 . 1 . . . . 66 Val C . 25535 1 135 . 1 1 66 66 VAL CA C 13 60.389 0.064 . 1 . . . . 66 Val CA . 25535 1 136 . 1 1 66 66 VAL CB C 13 34.108 0.086 . 1 . . . . 66 Val CB . 25535 1 137 . 1 1 66 66 VAL CG1 C 13 19.993 0.044 . 2 . . . . 66 Val CG1 . 25535 1 138 . 1 1 66 66 VAL CG2 C 13 21.161 0.058 . 2 . . . . 66 Val CG2 . 25535 1 139 . 1 1 66 66 VAL N N 15 126.904 0.234 . 1 . . . . 66 Val N . 25535 1 140 . 1 1 67 67 GLY C C 13 172.530 0.067 . 1 . . . . 67 Gly C . 25535 1 141 . 1 1 67 67 GLY CA C 13 47.309 0.112 . 1 . . . . 67 Gly CA . 25535 1 142 . 1 1 67 67 GLY N N 15 112.410 0.085 . 1 . . . . 67 Gly N . 25535 1 143 . 1 1 68 68 GLY C C 13 173.593 0.065 . 1 . . . . 68 Gly C . 25535 1 144 . 1 1 68 68 GLY CA C 13 45.094 0.074 . 1 . . . . 68 Gly CA . 25535 1 145 . 1 1 68 68 GLY N N 15 99.373 0.117 . 1 . . . . 68 Gly N . 25535 1 146 . 1 1 69 69 ALA C C 13 175.180 0.055 . 1 . . . . 69 Ala C . 25535 1 147 . 1 1 69 69 ALA CA C 13 50.472 0.077 . 1 . . . . 69 Ala CA . 25535 1 148 . 1 1 69 69 ALA CB C 13 24.947 0.062 . 1 . . . . 69 Ala CB . 25535 1 149 . 1 1 69 69 ALA N N 15 127.226 0.071 . 1 . . . . 69 Ala N . 25535 1 150 . 1 1 70 70 VAL C C 13 174.199 0.049 . 1 . . . . 70 Val C . 25535 1 151 . 1 1 70 70 VAL CA C 13 60.028 0.079 . 1 . . . . 70 Val CA . 25535 1 152 . 1 1 70 70 VAL CB C 13 36.759 0.079 . 1 . . . . 70 Val CB . 25535 1 153 . 1 1 70 70 VAL CG1 C 13 21.201 0.092 . 2 . . . . 70 Val CG1 . 25535 1 154 . 1 1 70 70 VAL CG2 C 13 21.728 0.056 . 2 . . . . 70 Val CG2 . 25535 1 155 . 1 1 70 70 VAL N N 15 119.493 0.116 . 1 . . . . 70 Val N . 25535 1 156 . 1 1 71 71 VAL C C 13 174.960 0.059 . 1 . . . . 71 Val C . 25535 1 157 . 1 1 71 71 VAL CA C 13 60.391 0.078 . 1 . . . . 71 Val CA . 25535 1 158 . 1 1 71 71 VAL CB C 13 35.522 0.058 . 1 . . . . 71 Val CB . 25535 1 159 . 1 1 71 71 VAL N N 15 126.219 0.215 . 1 . . . . 71 Val N . 25535 1 160 . 1 1 73 73 GLY C C 13 174.992 0.040 . 1 . . . . 73 Gly C . 25535 1 161 . 1 1 73 73 GLY CA C 13 49.133 0.061 . 1 . . . . 73 Gly CA . 25535 1 162 . 1 1 73 73 GLY N N 15 111.984 0.108 . 1 . . . . 73 Gly N . 25535 1 163 . 1 1 74 74 VAL C C 13 174.671 0.058 . 1 . . . . 74 Val C . 25535 1 164 . 1 1 74 74 VAL CA C 13 61.170 0.037 . 1 . . . . 74 Val CA . 25535 1 165 . 1 1 74 74 VAL CB C 13 34.351 0.005 . 1 . . . . 74 Val CB . 25535 1 166 . 1 1 74 74 VAL CG2 C 13 21.834 0.037 . 1 . . . . 74 Val CG2 . 25535 1 167 . 1 1 74 74 VAL N N 15 125.374 0.083 . 1 . . . . 74 Val N . 25535 1 168 . 1 1 75 75 THR C C 13 173.772 0.072 . 1 . . . . 75 Thr C . 25535 1 169 . 1 1 75 75 THR CA C 13 60.450 0.067 . 1 . . . . 75 Thr CA . 25535 1 170 . 1 1 75 75 THR CB C 13 72.179 0.049 . 1 . . . . 75 Thr CB . 25535 1 171 . 1 1 75 75 THR CG2 C 13 20.803 0.093 . 1 . . . . 75 Thr CG2 . 25535 1 172 . 1 1 75 75 THR N N 15 123.877 0.177 . 1 . . . . 75 Thr N . 25535 1 173 . 1 1 76 76 ALA C C 13 173.908 0.048 . 1 . . . . 76 Ala C . 25535 1 174 . 1 1 76 76 ALA CA C 13 51.684 0.066 . 1 . . . . 76 Ala CA . 25535 1 175 . 1 1 76 76 ALA CB C 13 15.658 0.046 . 1 . . . . 76 Ala CB . 25535 1 176 . 1 1 76 76 ALA N N 15 127.160 0.137 . 1 . . . . 76 Ala N . 25535 1 177 . 1 1 77 77 VAL C C 13 173.405 0.078 . 1 . . . . 77 Val C . 25535 1 178 . 1 1 77 77 VAL CA C 13 59.074 0.082 . 1 . . . . 77 Val CA . 25535 1 179 . 1 1 77 77 VAL CB C 13 35.105 0.057 . 1 . . . . 77 Val CB . 25535 1 180 . 1 1 77 77 VAL CG2 C 13 22.286 0.087 . 1 . . . . 77 Val CG2 . 25535 1 181 . 1 1 77 77 VAL N N 15 116.793 0.089 . 1 . . . . 77 Val N . 25535 1 182 . 1 1 78 78 ALA C C 13 176.871 0.061 . 1 . . . . 78 Ala C . 25535 1 183 . 1 1 78 78 ALA CA C 13 50.299 0.064 . 1 . . . . 78 Ala CA . 25535 1 184 . 1 1 78 78 ALA CB C 13 25.680 0.072 . 1 . . . . 78 Ala CB . 25535 1 185 . 1 1 78 78 ALA N N 15 125.821 0.210 . 1 . . . . 78 Ala N . 25535 1 186 . 1 1 79 79 GLN C C 13 173.599 0.074 . 1 . . . . 79 Gln C . 25535 1 187 . 1 1 79 79 GLN CA C 13 54.444 0.073 . 1 . . . . 79 Gln CA . 25535 1 188 . 1 1 79 79 GLN CB C 13 32.266 0.073 . 1 . . . . 79 Gln CB . 25535 1 189 . 1 1 79 79 GLN CD C 13 179.452 0.054 . 1 . . . . 79 Gln CD . 25535 1 190 . 1 1 79 79 GLN CG C 13 30.216 0.066 . 1 . . . . 79 Gln CG . 25535 1 191 . 1 1 79 79 GLN N N 15 109.219 0.068 . 1 . . . . 79 Gln N . 25535 1 192 . 1 1 79 79 GLN NE2 N 15 112.920 0.128 . 1 . . . . 79 Gln NE2 . 25535 1 193 . 1 1 80 80 LYS C C 13 174.155 0.066 . 1 . . . . 80 Lys C . 25535 1 194 . 1 1 80 80 LYS CA C 13 54.635 0.081 . 1 . . . . 80 Lys CA . 25535 1 195 . 1 1 80 80 LYS CB C 13 36.611 0.086 . 1 . . . . 80 Lys CB . 25535 1 196 . 1 1 80 80 LYS CD C 13 30.409 0.084 . 1 . . . . 80 Lys CD . 25535 1 197 . 1 1 80 80 LYS CE C 13 42.740 0.083 . 1 . . . . 80 Lys CE . 25535 1 198 . 1 1 80 80 LYS CG C 13 26.581 0.049 . 1 . . . . 80 Lys CG . 25535 1 199 . 1 1 80 80 LYS N N 15 118.253 0.144 . 1 . . . . 80 Lys N . 25535 1 200 . 1 1 81 81 THR C C 13 173.043 0.098 . 1 . . . . 81 Thr C . 25535 1 201 . 1 1 81 81 THR CA C 13 62.125 0.093 . 1 . . . . 81 Thr CA . 25535 1 202 . 1 1 81 81 THR CB C 13 70.152 0.061 . 1 . . . . 81 Thr CB . 25535 1 203 . 1 1 81 81 THR CG2 C 13 22.512 0.066 . 1 . . . . 81 Thr CG2 . 25535 1 204 . 1 1 81 81 THR N N 15 125.693 0.109 . 1 . . . . 81 Thr N . 25535 1 205 . 1 1 82 82 VAL C C 13 174.460 0.069 . 1 . . . . 82 Val C . 25535 1 206 . 1 1 82 82 VAL CA C 13 61.045 0.079 . 1 . . . . 82 Val CA . 25535 1 207 . 1 1 82 82 VAL CB C 13 34.571 0.088 . 1 . . . . 82 Val CB . 25535 1 208 . 1 1 82 82 VAL CG1 C 13 20.587 0.023 . 2 . . . . 82 Val CG1 . 25535 1 209 . 1 1 82 82 VAL CG2 C 13 21.529 0.109 . 2 . . . . 82 Val CG2 . 25535 1 210 . 1 1 82 82 VAL N N 15 125.748 0.140 . 1 . . . . 82 Val N . 25535 1 211 . 1 1 83 83 GLU C C 13 173.940 0.064 . 1 . . . . 83 Glu C . 25535 1 212 . 1 1 83 83 GLU CA C 13 57.555 0.064 . 1 . . . . 83 Glu CA . 25535 1 213 . 1 1 83 83 GLU CB C 13 26.478 0.060 . 1 . . . . 83 Glu CB . 25535 1 214 . 1 1 83 83 GLU CD C 13 183.852 0.064 . 1 . . . . 83 Glu CD . 25535 1 215 . 1 1 83 83 GLU CG C 13 37.538 0.070 . 1 . . . . 83 Glu CG . 25535 1 216 . 1 1 83 83 GLU N N 15 123.880 0.077 . 1 . . . . 83 Glu N . 25535 1 217 . 1 1 84 84 GLY C C 13 169.994 0.065 . 1 . . . . 84 Gly C . 25535 1 218 . 1 1 84 84 GLY CA C 13 44.017 0.061 . 1 . . . . 84 Gly CA . 25535 1 219 . 1 1 84 84 GLY N N 15 105.174 0.132 . 1 . . . . 84 Gly N . 25535 1 220 . 1 1 85 85 ALA C C 13 178.388 0.127 . 1 . . . . 85 Ala C . 25535 1 221 . 1 1 85 85 ALA CA C 13 51.916 0.062 . 1 . . . . 85 Ala CA . 25535 1 222 . 1 1 85 85 ALA CB C 13 19.135 0.089 . 1 . . . . 85 Ala CB . 25535 1 223 . 1 1 85 85 ALA N N 15 119.200 0.043 . 1 . . . . 85 Ala N . 25535 1 224 . 1 1 86 86 GLY C C 13 173.888 0.071 . 1 . . . . 86 Gly C . 25535 1 225 . 1 1 86 86 GLY CA C 13 45.155 0.069 . 1 . . . . 86 Gly CA . 25535 1 226 . 1 1 86 86 GLY N N 15 114.235 0.172 . 1 . . . . 86 Gly N . 25535 1 227 . 1 1 87 87 SER C C 13 173.054 0.070 . 1 . . . . 87 Ser C . 25535 1 228 . 1 1 87 87 SER CA C 13 56.428 0.071 . 1 . . . . 87 Ser CA . 25535 1 229 . 1 1 87 87 SER CB C 13 65.451 0.051 . 1 . . . . 87 Ser CB . 25535 1 230 . 1 1 87 87 SER N N 15 121.795 0.099 . 1 . . . . 87 Ser N . 25535 1 231 . 1 1 88 88 ILE C C 13 175.263 0.070 . 1 . . . . 88 Ile C . 25535 1 232 . 1 1 88 88 ILE CA C 13 59.389 0.069 . 1 . . . . 88 Ile CA . 25535 1 233 . 1 1 88 88 ILE CB C 13 41.983 0.084 . 1 . . . . 88 Ile CB . 25535 1 234 . 1 1 88 88 ILE CD1 C 13 14.946 0.064 . 1 . . . . 88 Ile CD1 . 25535 1 235 . 1 1 88 88 ILE CG1 C 13 27.971 0.089 . 1 . . . . 88 Ile CG1 . 25535 1 236 . 1 1 88 88 ILE CG2 C 13 17.915 0.071 . 1 . . . . 88 Ile CG2 . 25535 1 237 . 1 1 88 88 ILE N N 15 123.129 0.117 . 1 . . . . 88 Ile N . 25535 1 238 . 1 1 89 89 ALA C C 13 172.405 0.088 . 1 . . . . 89 Ala C . 25535 1 239 . 1 1 89 89 ALA CA C 13 51.918 0.086 . 1 . . . . 89 Ala CA . 25535 1 240 . 1 1 89 89 ALA CB C 13 16.483 0.061 . 1 . . . . 89 Ala CB . 25535 1 241 . 1 1 89 89 ALA N N 15 127.193 0.179 . 1 . . . . 89 Ala N . 25535 1 242 . 1 1 90 90 ALA C C 13 175.252 0.102 . 1 . . . . 90 Ala C . 25535 1 243 . 1 1 90 90 ALA CA C 13 49.646 0.088 . 1 . . . . 90 Ala CA . 25535 1 244 . 1 1 90 90 ALA CB C 13 21.580 0.069 . 1 . . . . 90 Ala CB . 25535 1 245 . 1 1 90 90 ALA N N 15 122.098 0.105 . 1 . . . . 90 Ala N . 25535 1 246 . 1 1 91 91 ALA C C 13 175.692 0.053 . 1 . . . . 91 Ala C . 25535 1 247 . 1 1 91 91 ALA CA C 13 49.683 0.110 . 1 . . . . 91 Ala CA . 25535 1 248 . 1 1 91 91 ALA CB C 13 23.386 0.072 . 1 . . . . 91 Ala CB . 25535 1 249 . 1 1 91 91 ALA N N 15 124.810 0.229 . 1 . . . . 91 Ala N . 25535 1 250 . 1 1 92 92 THR C C 13 174.796 0.061 . 1 . . . . 92 Thr C . 25535 1 251 . 1 1 92 92 THR CA C 13 60.500 0.065 . 1 . . . . 92 Thr CA . 25535 1 252 . 1 1 92 92 THR CB C 13 70.850 0.055 . 1 . . . . 92 Thr CB . 25535 1 253 . 1 1 92 92 THR CG2 C 13 21.274 0.068 . 1 . . . . 92 Thr CG2 . 25535 1 254 . 1 1 92 92 THR N N 15 121.409 0.151 . 1 . . . . 92 Thr N . 25535 1 255 . 1 1 93 93 GLY C C 13 173.664 0.055 . 1 . . . . 93 Gly C . 25535 1 256 . 1 1 93 93 GLY CA C 13 50.394 0.039 . 1 . . . . 93 Gly CA . 25535 1 257 . 1 1 93 93 GLY N N 15 118.316 0.096 . 1 . . . . 93 Gly N . 25535 1 258 . 1 1 94 94 PHE C C 13 173.211 0.085 . 1 . . . . 94 Phe C . 25535 1 259 . 1 1 94 94 PHE CA C 13 56.931 0.067 . 1 . . . . 94 Phe CA . 25535 1 260 . 1 1 94 94 PHE CB C 13 37.901 0.048 . 1 . . . . 94 Phe CB . 25535 1 261 . 1 1 94 94 PHE N N 15 105.787 0.090 . 1 . . . . 94 Phe N . 25535 1 262 . 1 1 95 95 VAL CA C 13 61.019 0.067 . 1 . . . . 95 Val CA . 25535 1 263 . 1 1 95 95 VAL CB C 13 35.151 0.127 . 1 . . . . 95 Val CB . 25535 1 264 . 1 1 95 95 VAL CG2 C 13 20.756 0.065 . 1 . . . . 95 Val CG2 . 25535 1 265 . 1 1 95 95 VAL N N 15 118.560 0.194 . 1 . . . . 95 Val N . 25535 1 stop_ save_