################################### # 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_CD79b_cyt_denatured_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CD79b_cyt_denatured_assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19651 _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 '2D 1H-15N HSQC' . . . 19651 1 2 '3D HN(ca)CO' . . . 19651 1 3 '3D HNCA' . . . 19651 1 4 '3D HNCACB' . . . 19651 1 5 '3D HNCO' . . . 19651 1 6 '3D HN(CO)CA' . . . 19651 1 7 '3D HN(COCA)CB' . . . 19651 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU C C 13 177.26 . . . . . . . 2 Leu C . 19651 1 2 . 1 1 2 2 LEU CA C 13 55.819 . . . . . . . 2 Leu Ca . 19651 1 3 . 1 1 2 2 LEU CB C 13 42.3333 . . . . . . . 2 Leu Cb . 19651 1 4 . 1 1 3 3 LEU H H 1 8.33933 . . . . . . . 3 Leu H . 19651 1 5 . 1 1 3 3 LEU C C 13 177.171 . . . . . . . 3 Leu C . 19651 1 6 . 1 1 3 3 LEU CA C 13 55.1098 . . . . . . . 3 Leu Ca . 19651 1 7 . 1 1 3 3 LEU CB C 13 42.3623 . . . . . . . 3 Leu Cb . 19651 1 8 . 1 1 3 3 LEU N N 15 122.871 . . . . . . . 3 Leu N . 19651 1 9 . 1 1 4 4 ASP H H 1 8.22049 . . . . . . . 4 Asp H . 19651 1 10 . 1 1 4 4 ASP C C 13 176.275 . . . . . . . 4 Asp C . 19651 1 11 . 1 1 4 4 ASP CA C 13 54.4397 . . . . . . . 4 Asp Ca . 19651 1 12 . 1 1 4 4 ASP CB C 13 41.4869 . . . . . . . 4 Asp Cb . 19651 1 13 . 1 1 4 4 ASP N N 15 122.271 . . . . . . . 4 Asp N . 19651 1 14 . 1 1 5 5 LYS H H 1 8.31307 . . . . . . . 5 Lys H . 19651 1 15 . 1 1 5 5 LYS C C 13 176.246 . . . . . . . 5 Lys C . 19651 1 16 . 1 1 5 5 LYS CA C 13 56.6511 . . . . . . . 5 Lys Ca . 19651 1 17 . 1 1 5 5 LYS CB C 13 33.2352 . . . . . . . 5 Lys Cb . 19651 1 18 . 1 1 5 5 LYS N N 15 122.619 . . . . . . . 5 Lys N . 19651 1 19 . 1 1 6 6 ASP H H 1 8.46813 . . . . . . . 6 Asp H . 19651 1 20 . 1 1 6 6 ASP C C 13 176.161 . . . . . . . 6 Asp C . 19651 1 21 . 1 1 6 6 ASP CA C 13 54.1942 . . . . . . . 6 Asp Ca . 19651 1 22 . 1 1 6 6 ASP CB C 13 41.318 . . . . . . . 6 Asp Cb . 19651 1 23 . 1 1 6 6 ASP N N 15 122.547 . . . . . . . 6 Asp N . 19651 1 24 . 1 1 7 7 ASP H H 1 8.37117 . . . . . . . 7 Asp H . 19651 1 25 . 1 1 7 7 ASP C C 13 176.769 . . . . . . . 7 Asp C . 19651 1 26 . 1 1 7 7 ASP CA C 13 54.4339 . . . . . . . 7 Asp Ca . 19651 1 27 . 1 1 7 7 ASP CB C 13 41.1836 . . . . . . . 7 Asp Cb . 19651 1 28 . 1 1 7 7 ASP N N 15 123.371 . . . . . . . 7 Asp N . 19651 1 29 . 1 1 8 8 SER H H 1 8.39699 . . . . . . . 8 Ser H . 19651 1 30 . 1 1 8 8 SER C C 13 174.988 . . . . . . . 8 Ser C . 19651 1 31 . 1 1 8 8 SER CA C 13 59.3437 . . . . . . . 8 Ser Ca . 19651 1 32 . 1 1 8 8 SER CB C 13 63.8209 . . . . . . . 8 Ser Cb . 19651 1 33 . 1 1 8 8 SER N N 15 117.691 . . . . . . . 8 Ser N . 19651 1 34 . 1 1 9 9 LYS H H 1 8.27446 . . . . . . . 9 Lys H . 19651 1 35 . 1 1 9 9 LYS C C 13 176.427 . . . . . . . 9 Lys C . 19651 1 36 . 1 1 9 9 LYS CA C 13 56.185 . . . . . . . 9 Lys Ca . 19651 1 37 . 1 1 9 9 LYS CB C 13 32.9858 . . . . . . . 9 Lys Cb . 19651 1 38 . 1 1 9 9 LYS N N 15 123.78 . . . . . . . 9 Lys N . 19651 1 39 . 1 1 10 10 ALA H H 1 8.19808 . . . . . . . 10 Ala H . 19651 1 40 . 1 1 10 10 ALA C C 13 178.383 . . . . . . . 10 Ala C . 19651 1 41 . 1 1 10 10 ALA CA C 13 52.8783 . . . . . . . 10 Ala Ca . 19651 1 42 . 1 1 10 10 ALA CB C 13 19.2725 . . . . . . . 10 Ala Cb . 19651 1 43 . 1 1 10 10 ALA N N 15 125.864 . . . . . . . 10 Ala N . 19651 1 44 . 1 1 11 11 GLY H H 1 8.47094 . . . . . . . 11 Gly H . 19651 1 45 . 1 1 11 11 GLY C C 13 174.302 . . . . . . . 11 Gly C . 19651 1 46 . 1 1 11 11 GLY CA C 13 45.332 . . . . . . . 11 Gly Ca . 19651 1 47 . 1 1 11 11 GLY N N 15 109.576 . . . . . . . 11 Gly N . 19651 1 48 . 1 1 12 12 MET H H 1 8.22463 . . . . . . . 12 Met H . 19651 1 49 . 1 1 12 12 MET C C 13 176.424 . . . . . . . 12 Met C . 19651 1 50 . 1 1 12 12 MET CA C 13 55.5476 . . . . . . . 12 Met Ca . 19651 1 51 . 1 1 12 12 MET CB C 13 33.1745 . . . . . . . 12 Met Cb . 19651 1 52 . 1 1 12 12 MET N N 15 120.715 . . . . . . . 12 Met N . 19651 1 53 . 1 1 13 13 GLU H H 1 8.64407 . . . . . . . 13 Glu H . 19651 1 54 . 1 1 13 13 GLU C C 13 176.543 . . . . . . . 13 Glu C . 19651 1 55 . 1 1 13 13 GLU CA C 13 56.7313 . . . . . . . 13 Glu Ca . 19651 1 56 . 1 1 13 13 GLU CB C 13 30.2348 . . . . . . . 13 Glu Cb . 19651 1 57 . 1 1 13 13 GLU N N 15 123.36 . . . . . . . 13 Glu N . 19651 1 58 . 1 1 14 14 GLU H H 1 8.49465 . . . . . . . 14 Glu H . 19651 1 59 . 1 1 14 14 GLU C C 13 175.874 . . . . . . . 14 Glu C . 19651 1 60 . 1 1 14 14 GLU CA C 13 56.4551 . . . . . . . 14 Glu Ca . 19651 1 61 . 1 1 14 14 GLU CB C 13 30.7153 . . . . . . . 14 Glu Cb . 19651 1 62 . 1 1 14 14 GLU N N 15 123.115 . . . . . . . 14 Glu N . 19651 1 63 . 1 1 15 15 ASP H H 1 8.44432 . . . . . . . 15 Asp H . 19651 1 64 . 1 1 15 15 ASP C C 13 176.272 . . . . . . . 15 Asp C . 19651 1 65 . 1 1 15 15 ASP CA C 13 54.2677 . . . . . . . 15 Asp Ca . 19651 1 66 . 1 1 15 15 ASP CB C 13 41.4558 . . . . . . . 15 Asp Cb . 19651 1 67 . 1 1 15 15 ASP N N 15 122.62 . . . . . . . 15 Asp N . 19651 1 68 . 1 1 16 16 HIS H H 1 8.64863 . . . . . . . 16 His H . 19651 1 69 . 1 1 16 16 HIS C C 13 174.787 . . . . . . . 16 His C . 19651 1 70 . 1 1 16 16 HIS CA C 13 55.1598 . . . . . . . 16 His Ca . 19651 1 71 . 1 1 16 16 HIS CB C 13 29.1221 . . . . . . . 16 His Cb . 19651 1 72 . 1 1 16 16 HIS N N 15 121.529 . . . . . . . 16 His N . 19651 1 73 . 1 1 17 17 THR H H 1 8.38453 . . . . . . . 17 Thr H . 19651 1 74 . 1 1 17 17 THR C C 13 174.479 . . . . . . . 17 Thr C . 19651 1 75 . 1 1 17 17 THR CA C 13 62.959 . . . . . . . 17 Thr Ca . 19651 1 76 . 1 1 17 17 THR CB C 13 69.8984 . . . . . . . 17 Thr Cb . 19651 1 77 . 1 1 17 17 THR N N 15 117.201 . . . . . . . 17 Thr N . 19651 1 78 . 1 1 18 18 TYR H H 1 8.41264 . . . . . . . 18 Tyr H . 19651 1 79 . 1 1 18 18 TYR C C 13 175.735 . . . . . . . 18 Tyr C . 19651 1 80 . 1 1 18 18 TYR CA C 13 58.0683 . . . . . . . 18 Tyr Ca . 19651 1 81 . 1 1 18 18 TYR CB C 13 38.7915 . . . . . . . 18 Tyr Cb . 19651 1 82 . 1 1 18 18 TYR N N 15 123.537 . . . . . . . 18 Tyr N . 19651 1 83 . 1 1 19 19 GLU H H 1 8.34351 . . . . . . . 19 Glu H . 19651 1 84 . 1 1 19 19 GLU C C 13 176.567 . . . . . . . 19 Glu C . 19651 1 85 . 1 1 19 19 GLU CA C 13 56.452 . . . . . . . 19 Glu Ca . 19651 1 86 . 1 1 19 19 GLU CB C 13 30.5563 . . . . . . . 19 Glu Cb . 19651 1 87 . 1 1 19 19 GLU N N 15 124.5 . . . . . . . 19 Glu N . 19651 1 88 . 1 1 20 20 GLY H H 1 7.9182 . . . . . . . 20 Gly H . 19651 1 89 . 1 1 20 20 GLY C C 13 173.802 . . . . . . . 20 Gly C . 19651 1 90 . 1 1 20 20 GLY CA C 13 45.3161 . . . . . . . 20 Gly Ca . 19651 1 91 . 1 1 20 20 GLY N N 15 110.372 . . . . . . . 20 Gly N . 19651 1 92 . 1 1 21 21 LEU H H 1 8.12362 . . . . . . . 21 Leu H . 19651 1 93 . 1 1 21 21 LEU C C 13 177.19 . . . . . . . 21 Leu C . 19651 1 94 . 1 1 21 21 LEU CA C 13 54.9561 . . . . . . . 21 Leu Ca . 19651 1 95 . 1 1 21 21 LEU CB C 13 42.9004 . . . . . . . 21 Leu Cb . 19651 1 96 . 1 1 21 21 LEU N N 15 122.107 . . . . . . . 21 Leu N . 19651 1 97 . 1 1 22 22 ASP H H 1 8.57946 . . . . . . . 22 Asp H . 19651 1 98 . 1 1 22 22 ASP C C 13 176.362 . . . . . . . 22 Asp C . 19651 1 99 . 1 1 22 22 ASP CA C 13 54.2016 . . . . . . . 22 Asp Ca . 19651 1 100 . 1 1 22 22 ASP CB C 13 40.9338 . . . . . . . 22 Asp Cb . 19651 1 101 . 1 1 22 22 ASP N N 15 122.855 . . . . . . . 22 Asp N . 19651 1 102 . 1 1 23 23 ILE H H 1 8.07196 . . . . . . . 23 Ile H . 19651 1 103 . 1 1 23 23 ILE C C 13 176.007 . . . . . . . 23 Ile C . 19651 1 104 . 1 1 23 23 ILE CA C 13 61.3734 . . . . . . . 23 Ile Ca . 19651 1 105 . 1 1 23 23 ILE CB C 13 39.1814 . . . . . . . 23 Ile Cb . 19651 1 106 . 1 1 23 23 ILE N N 15 121.56 . . . . . . . 23 Ile N . 19651 1 107 . 1 1 24 24 ASP H H 1 8.45211 . . . . . . . 24 Asp H . 19651 1 108 . 1 1 24 24 ASP C C 13 176.603 . . . . . . . 24 Asp C . 19651 1 109 . 1 1 24 24 ASP CA C 13 54.3644 . . . . . . . 24 Asp Ca . 19651 1 110 . 1 1 24 24 ASP CB C 13 41.1048 . . . . . . . 24 Asp Cb . 19651 1 111 . 1 1 24 24 ASP N N 15 124.716 . . . . . . . 24 Asp N . 19651 1 112 . 1 1 25 25 GLN H H 1 8.46776 . . . . . . . 25 Gln H . 19651 1 113 . 1 1 25 25 GLN C C 13 176.391 . . . . . . . 25 Gln C . 19651 1 114 . 1 1 25 25 GLN CA C 13 56.1369 . . . . . . . 25 Gln Ca . 19651 1 115 . 1 1 25 25 GLN CB C 13 29.4013 . . . . . . . 25 Gln Cb . 19651 1 116 . 1 1 25 25 GLN N N 15 122.968 . . . . . . . 25 Gln N . 19651 1 117 . 1 1 26 26 THR H H 1 8.3116 . . . . . . . 26 Thr H . 19651 1 118 . 1 1 26 26 THR C C 13 174.546 . . . . . . . 26 Thr C . 19651 1 119 . 1 1 26 26 THR CA C 13 62.4602 . . . . . . . 26 Thr Ca . 19651 1 120 . 1 1 26 26 THR CB C 13 69.8922 . . . . . . . 26 Thr Cb . 19651 1 121 . 1 1 26 26 THR N N 15 115.714 . . . . . . . 26 Thr N . 19651 1 122 . 1 1 27 27 ALA H H 1 8.19977 . . . . . . . 27 Ala H . 19651 1 123 . 1 1 27 27 ALA C C 13 177.623 . . . . . . . 27 Ala C . 19651 1 124 . 1 1 27 27 ALA CA C 13 52.5349 . . . . . . . 27 Ala Ca . 19651 1 125 . 1 1 27 27 ALA CB C 13 19.4011 . . . . . . . 27 Ala Cb . 19651 1 126 . 1 1 27 27 ALA N N 15 127.501 . . . . . . . 27 Ala N . 19651 1 127 . 1 1 28 28 THR H H 1 8.13821 . . . . . . . 28 Thr H . 19651 1 128 . 1 1 28 28 THR C C 13 174.299 . . . . . . . 28 Thr C . 19651 1 129 . 1 1 28 28 THR CA C 13 61.6182 . . . . . . . 28 Thr Ca . 19651 1 130 . 1 1 28 28 THR CB C 13 70.1736 . . . . . . . 28 Thr Cb . 19651 1 131 . 1 1 28 28 THR N N 15 114.612 . . . . . . . 28 Thr N . 19651 1 132 . 1 1 29 29 TYR H H 1 8.30557 . . . . . . . 29 Tyr H . 19651 1 133 . 1 1 29 29 TYR C C 13 175.649 . . . . . . . 29 Tyr C . 19651 1 134 . 1 1 29 29 TYR CA C 13 58.0046 . . . . . . . 29 Tyr Ca . 19651 1 135 . 1 1 29 29 TYR CB C 13 39.0309 . . . . . . . 29 Tyr Cb . 19651 1 136 . 1 1 29 29 TYR N N 15 123.618 . . . . . . . 29 Tyr N . 19651 1 137 . 1 1 30 30 GLU H H 1 8.34254 . . . . . . . 30 Glu H . 19651 1 138 . 1 1 30 30 GLU C C 13 175.775 . . . . . . . 30 Glu C . 19651 1 139 . 1 1 30 30 GLU CA C 13 56.2884 . . . . . . . 30 Glu Ca . 19651 1 140 . 1 1 30 30 GLU CB C 13 30.8622 . . . . . . . 30 Glu Cb . 19651 1 141 . 1 1 30 30 GLU N N 15 123.534 . . . . . . . 30 Glu N . 19651 1 142 . 1 1 31 31 ASP H H 1 8.40509 . . . . . . . 31 Asp H . 19651 1 143 . 1 1 31 31 ASP C C 13 176.16 . . . . . . . 31 Asp C . 19651 1 144 . 1 1 31 31 ASP CA C 13 54.3242 . . . . . . . 31 Asp Ca . 19651 1 145 . 1 1 31 31 ASP CB C 13 41.2412 . . . . . . . 31 Asp Cb . 19651 1 146 . 1 1 31 31 ASP N N 15 123.162 . . . . . . . 31 Asp N . 19651 1 147 . 1 1 32 32 ILE H H 1 8.12618 . . . . . . . 32 Ile H . 19651 1 148 . 1 1 32 32 ILE C C 13 176.397 . . . . . . . 32 Ile C . 19651 1 149 . 1 1 32 32 ILE CA C 13 61.3276 . . . . . . . 32 Ile Ca . 19651 1 150 . 1 1 32 32 ILE CB C 13 38.8262 . . . . . . . 32 Ile Cb . 19651 1 151 . 1 1 32 32 ILE N N 15 122.423 . . . . . . . 32 Ile N . 19651 1 152 . 1 1 33 33 VAL H H 1 8.31414 . . . . . . . 33 Val H . 19651 1 153 . 1 1 33 33 VAL C C 13 176.513 . . . . . . . 33 Val C . 19651 1 154 . 1 1 33 33 VAL CA C 13 62.751 . . . . . . . 33 Val Ca . 19651 1 155 . 1 1 33 33 VAL CB C 13 32.7944 . . . . . . . 33 Val Cb . 19651 1 156 . 1 1 33 33 VAL N N 15 125.863 . . . . . . . 33 Val N . 19651 1 157 . 1 1 34 34 THR H H 1 8.29197 . . . . . . . 34 Thr H . 19651 1 158 . 1 1 34 34 THR C C 13 174.504 . . . . . . . 34 Thr C . 19651 1 159 . 1 1 34 34 THR CA C 13 62.0932 . . . . . . . 34 Thr Ca . 19651 1 160 . 1 1 34 34 THR CB C 13 69.789 . . . . . . . 34 Thr Cb . 19651 1 161 . 1 1 34 34 THR N N 15 120.147 . . . . . . . 34 Thr N . 19651 1 162 . 1 1 35 35 LEU H H 1 8.32084 . . . . . . . 35 Leu H . 19651 1 163 . 1 1 35 35 LEU C C 13 177.317 . . . . . . . 35 Leu C . 19651 1 164 . 1 1 35 35 LEU CA C 13 55.1455 . . . . . . . 35 Leu Ca . 19651 1 165 . 1 1 35 35 LEU CB C 13 42.4884 . . . . . . . 35 Leu Cb . 19651 1 166 . 1 1 35 35 LEU N N 15 126.414 . . . . . . . 35 Leu N . 19651 1 167 . 1 1 36 36 ARG H H 1 8.59544 . . . . . . . 36 Arg H . 19651 1 168 . 1 1 36 36 ARG C C 13 176.717 . . . . . . . 36 Arg C . 19651 1 169 . 1 1 36 36 ARG CA C 13 56.1237 . . . . . . . 36 Arg Ca . 19651 1 170 . 1 1 36 36 ARG CB C 13 30.8786 . . . . . . . 36 Arg Cb . 19651 1 171 . 1 1 36 36 ARG N N 15 124.057 . . . . . . . 36 Arg N . 19651 1 172 . 1 1 37 37 THR H H 1 8.28923 . . . . . . . 37 Thr H . 19651 1 173 . 1 1 37 37 THR C C 13 175.236 . . . . . . . 37 Thr C . 19651 1 174 . 1 1 37 37 THR CA C 13 62.0954 . . . . . . . 37 Thr Ca . 19651 1 175 . 1 1 37 37 THR CB C 13 69.966 . . . . . . . 37 Thr Cb . 19651 1 176 . 1 1 37 37 THR N N 15 116.272 . . . . . . . 37 Thr N . 19651 1 177 . 1 1 38 38 GLY H H 1 8.4718 . . . . . . . 38 Gly H . 19651 1 178 . 1 1 38 38 GLY C C 13 173.917 . . . . . . . 38 Gly C . 19651 1 179 . 1 1 38 38 GLY CA C 13 45.1786 . . . . . . . 38 Gly Ca . 19651 1 180 . 1 1 38 38 GLY N N 15 112.041 . . . . . . . 38 Gly N . 19651 1 181 . 1 1 39 39 GLU H H 1 8.23967 . . . . . . . 39 Glu H . 19651 1 182 . 1 1 39 39 GLU C C 13 176.448 . . . . . . . 39 Glu C . 19651 1 183 . 1 1 39 39 GLU CA C 13 56.4008 . . . . . . . 39 Glu Ca . 19651 1 184 . 1 1 39 39 GLU CB C 13 30.7213 . . . . . . . 39 Glu Cb . 19651 1 185 . 1 1 39 39 GLU N N 15 121.801 . . . . . . . 39 Glu N . 19651 1 186 . 1 1 40 40 VAL H H 1 8.331 . . . . . . . 40 Val H . 19651 1 187 . 1 1 40 40 VAL C C 13 175.958 . . . . . . . 40 Val C . 19651 1 188 . 1 1 40 40 VAL CA C 13 62.3169 . . . . . . . 40 Val Ca . 19651 1 189 . 1 1 40 40 VAL CB C 13 32.8491 . . . . . . . 40 Val Cb . 19651 1 190 . 1 1 40 40 VAL N N 15 123.645 . . . . . . . 40 Val N . 19651 1 191 . 1 1 41 41 LYS H H 1 8.40739 . . . . . . . 41 Lys H . 19651 1 192 . 1 1 41 41 LYS C C 13 176.059 . . . . . . . 41 Lys C . 19651 1 193 . 1 1 41 41 LYS CA C 13 56.0238 . . . . . . . 41 Lys Ca . 19651 1 194 . 1 1 41 41 LYS CB C 13 33.2701 . . . . . . . 41 Lys Cb . 19651 1 195 . 1 1 41 41 LYS N N 15 127.09 . . . . . . . 41 Lys N . 19651 1 196 . 1 1 42 42 TRP H H 1 8.27066 . . . . . . . 42 Trp H . 19651 1 197 . 1 1 42 42 TRP C C 13 176.239 . . . . . . . 42 Trp C . 19651 1 198 . 1 1 42 42 TRP CA C 13 56.9683 . . . . . . . 42 Trp Ca . 19651 1 199 . 1 1 42 42 TRP CB C 13 30.0725 . . . . . . . 42 Trp Cb . 19651 1 200 . 1 1 42 42 TRP N N 15 124.391 . . . . . . . 42 Trp N . 19651 1 201 . 1 1 43 43 SER H H 1 8.41812 . . . . . . . 43 Ser H . 19651 1 202 . 1 1 43 43 SER C C 13 174.317 . . . . . . . 43 Ser C . 19651 1 203 . 1 1 43 43 SER CA C 13 58.0108 . . . . . . . 43 Ser Ca . 19651 1 204 . 1 1 43 43 SER CB C 13 64.1386 . . . . . . . 43 Ser Cb . 19651 1 205 . 1 1 43 43 SER N N 15 119.287 . . . . . . . 43 Ser N . 19651 1 206 . 1 1 44 44 VAL H H 1 8.22376 . . . . . . . 44 Val H . 19651 1 207 . 1 1 44 44 VAL C C 13 176.659 . . . . . . . 44 Val C . 19651 1 208 . 1 1 44 44 VAL CA C 13 62.7685 . . . . . . . 44 Val Ca . 19651 1 209 . 1 1 44 44 VAL CB C 13 32.7911 . . . . . . . 44 Val Cb . 19651 1 210 . 1 1 44 44 VAL N N 15 122.663 . . . . . . . 44 Val N . 19651 1 211 . 1 1 45 45 GLY H H 1 8.43281 . . . . . . . 45 Gly H . 19651 1 212 . 1 1 45 45 GLY C C 13 173.879 . . . . . . . 45 Gly C . 19651 1 213 . 1 1 45 45 GLY CA C 13 44.9989 . . . . . . . 45 Gly Ca . 19651 1 214 . 1 1 45 45 GLY N N 15 113.078 . . . . . . . 45 Gly N . 19651 1 215 . 1 1 46 46 GLU H H 1 8.19759 . . . . . . . 46 Glu H . 19651 1 216 . 1 1 46 46 GLU C C 13 176.146 . . . . . . . 46 Glu C . 19651 1 217 . 1 1 46 46 GLU CA C 13 56.4601 . . . . . . . 46 Glu Ca . 19651 1 218 . 1 1 46 46 GLU CB C 13 30.7269 . . . . . . . 46 Glu Cb . 19651 1 219 . 1 1 46 46 GLU N N 15 121.04 . . . . . . . 46 Glu N . 19651 1 220 . 1 1 47 47 HIS H H 1 8.58003 . . . . . . . 47 His H . 19651 1 221 . 1 1 47 47 HIS N N 15 120.523 . . . . . . . 47 His N . 19651 1 222 . 1 1 48 48 PRO C C 13 177.532 . . . . . . . 48 Pro C . 19651 1 223 . 1 1 48 48 PRO CA C 13 63.5291 . . . . . . . 48 Pro Ca . 19651 1 224 . 1 1 48 48 PRO CB C 13 32.2245 . . . . . . . 48 Pro Cb . 19651 1 225 . 1 1 49 49 GLY H H 1 8.642 . . . . . . . 49 Gly H . 19651 1 226 . 1 1 49 49 GLY C C 13 173.896 . . . . . . . 49 Gly C . 19651 1 227 . 1 1 49 49 GLY CA C 13 45.232 . . . . . . . 49 Gly Ca . 19651 1 228 . 1 1 49 49 GLY N N 15 111.168 . . . . . . . 49 Gly N . 19651 1 229 . 1 1 50 50 GLN H H 1 8.21935 . . . . . . . 50 Gln H . 19651 1 230 . 1 1 50 50 GLN C C 13 175.269 . . . . . . . 50 Gln C . 19651 1 231 . 1 1 50 50 GLN CA C 13 55.7716 . . . . . . . 50 Gln Ca . 19651 1 232 . 1 1 50 50 GLN CB C 13 30.0422 . . . . . . . 50 Gln Cb . 19651 1 233 . 1 1 50 50 GLN N N 15 121.059 . . . . . . . 50 Gln N . 19651 1 234 . 1 1 51 51 GLU H H 1 8.278 . . . . . . . 51 Glu H . 19651 1 235 . 1 1 51 51 GLU N N 15 128.874 . . . . . . . 51 Glu N . 19651 1 stop_ save_