################################### # 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_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CD79b_cyt_assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19650 _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' . . . 19650 1 2 '3D HN(ca)CO' . . . 19650 1 3 '3D HNCA' . . . 19650 1 4 '3D HNCACB' . . . 19650 1 5 '3D HNCO' . . . 19650 1 6 '3D HN(CO)CA' . . . 19650 1 7 '3D HN(COCA)CB' . . . 19650 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 13 177.541 . . . . . . . 2 Leu C . 19650 1 2 . 1 1 2 2 LEU CA C 13 56.0973 . . . . . . . 2 Leu Ca . 19650 1 3 . 1 1 2 2 LEU CB C 13 42.1954 . . . . . . . 2 Leu Cb . 19650 1 4 . 1 1 3 3 LEU H H 1 8.23675 . . . . . . . 3 Leu H . 19650 1 5 . 1 1 3 3 LEU C C 13 177.162 . . . . . . . 3 Leu C . 19650 1 6 . 1 1 3 3 LEU CA C 13 55.2117 . . . . . . . 3 Leu Ca . 19650 1 7 . 1 1 3 3 LEU CB C 13 42.1985 . . . . . . . 3 Leu Cb . 19650 1 8 . 1 1 3 3 LEU N N 15 121.897 . . . . . . . 3 Leu N . 19650 1 9 . 1 1 4 4 ASP H H 1 8.05865 . . . . . . . 4 Asp H . 19650 1 10 . 1 1 4 4 ASP C C 13 176.256 . . . . . . . 4 Asp C . 19650 1 11 . 1 1 4 4 ASP CA C 13 54.3785 . . . . . . . 4 Asp Ca . 19650 1 12 . 1 1 4 4 ASP CB C 13 41.2405 . . . . . . . 4 Asp Cb . 19650 1 13 . 1 1 4 4 ASP N N 15 121.594 . . . . . . . 4 Asp N . 19650 1 14 . 1 1 5 5 LYS H H 1 8.22867 . . . . . . . 5 Lys H . 19650 1 15 . 1 1 5 5 LYS C C 13 176.332 . . . . . . . 5 Lys C . 19650 1 16 . 1 1 5 5 LYS CA C 13 56.5378 . . . . . . . 5 Lys Ca . 19650 1 17 . 1 1 5 5 LYS CB C 13 32.916 . . . . . . . 5 Lys Cb . 19650 1 18 . 1 1 5 5 LYS N N 15 122.342 . . . . . . . 5 Lys N . 19650 1 19 . 1 1 6 6 ASP H H 1 8.40779 . . . . . . . 6 Asp H . 19650 1 20 . 1 1 6 6 ASP C C 13 176.22 . . . . . . . 6 Asp C . 19650 1 21 . 1 1 6 6 ASP CA C 13 54.2743 . . . . . . . 6 Asp Ca . 19650 1 22 . 1 1 6 6 ASP CB C 13 41.12 . . . . . . . 6 Asp Cb . 19650 1 23 . 1 1 6 6 ASP N N 15 122.287 . . . . . . . 6 Asp N . 19650 1 24 . 1 1 7 7 ASP H H 1 8.33252 . . . . . . . 7 Asp H . 19650 1 25 . 1 1 7 7 ASP C C 13 176.884 . . . . . . . 7 Asp C . 19650 1 26 . 1 1 7 7 ASP CA C 13 54.4855 . . . . . . . 7 Asp Ca . 19650 1 27 . 1 1 7 7 ASP CB C 13 41.0474 . . . . . . . 7 Asp Cb . 19650 1 28 . 1 1 7 7 ASP N N 15 123.125 . . . . . . . 7 Asp N . 19650 1 29 . 1 1 8 8 SER H H 1 8.36853 . . . . . . . 8 Ser H . 19650 1 30 . 1 1 8 8 SER C C 13 175.105 . . . . . . . 8 Ser C . 19650 1 31 . 1 1 8 8 SER CA C 13 59.4204 . . . . . . . 8 Ser Ca . 19650 1 32 . 1 1 8 8 SER CB C 13 63.623 . . . . . . . 8 Ser Cb . 19650 1 33 . 1 1 8 8 SER N N 15 117.478 . . . . . . . 8 Ser N . 19650 1 34 . 1 1 9 9 LYS H H 1 8.23823 . . . . . . . 9 Lys H . 19650 1 35 . 1 1 9 9 LYS C C 13 176.599 . . . . . . . 9 Lys C . 19650 1 36 . 1 1 9 9 LYS CA C 13 56.1669 . . . . . . . 9 Lys Ca . 19650 1 37 . 1 1 9 9 LYS CB C 13 32.6309 . . . . . . . 9 Lys Cb . 19650 1 38 . 1 1 9 9 LYS N N 15 123.457 . . . . . . . 9 Lys N . 19650 1 39 . 1 1 10 10 ALA H H 1 8.13181 . . . . . . . 10 Ala H . 19650 1 40 . 1 1 10 10 ALA C C 13 178.546 . . . . . . . 10 Ala C . 19650 1 41 . 1 1 10 10 ALA CA C 13 53.0145 . . . . . . . 10 Ala Ca . 19650 1 42 . 1 1 10 10 ALA CB C 13 19.121 . . . . . . . 10 Ala Cb . 19650 1 43 . 1 1 10 10 ALA N N 15 125.472 . . . . . . . 10 Ala N . 19650 1 44 . 1 1 11 11 GLY H H 1 8.48517 . . . . . . . 11 Gly H . 19650 1 45 . 1 1 11 11 GLY C C 13 174.468 . . . . . . . 11 Gly C . 19650 1 46 . 1 1 11 11 GLY CA C 13 45.44 . . . . . . . 11 Gly Ca . 19650 1 47 . 1 1 11 11 GLY N N 15 109.388 . . . . . . . 11 Gly N . 19650 1 48 . 1 1 12 12 MET H H 1 8.13881 . . . . . . . 12 Met H . 19650 1 49 . 1 1 12 12 MET C C 13 176.486 . . . . . . . 12 Met C . 19650 1 50 . 1 1 12 12 MET CA C 13 55.482 . . . . . . . 12 Met Ca . 19650 1 51 . 1 1 12 12 MET CB C 13 32.9501 . . . . . . . 12 Met Cb . 19650 1 52 . 1 1 12 12 MET N N 15 120.388 . . . . . . . 12 Met N . 19650 1 53 . 1 1 13 13 GLU H H 1 8.56494 . . . . . . . 13 Glu H . 19650 1 54 . 1 1 13 13 GLU C C 13 176.607 . . . . . . . 13 Glu C . 19650 1 55 . 1 1 13 13 GLU CA C 13 56.7343 . . . . . . . 13 Glu Ca . 19650 1 56 . 1 1 13 13 GLU CB C 13 30.1727 . . . . . . . 13 Glu Cb . 19650 1 57 . 1 1 13 13 GLU N N 15 122.86 . . . . . . . 13 Glu N . 19650 1 58 . 1 1 14 14 GLU H H 1 8.44019 . . . . . . . 14 Glu H . 19650 1 59 . 1 1 14 14 GLU C C 13 175.891 . . . . . . . 14 Glu C . 19650 1 60 . 1 1 14 14 GLU CA C 13 56.4419 . . . . . . . 14 Glu Ca . 19650 1 61 . 1 1 14 14 GLU CB C 13 30.5253 . . . . . . . 14 Glu Cb . 19650 1 62 . 1 1 14 14 GLU N N 15 122.708 . . . . . . . 14 Glu N . 19650 1 63 . 1 1 15 15 ASP H H 1 8.37533 . . . . . . . 15 Asp H . 19650 1 64 . 1 1 15 15 ASP C C 13 176.235 . . . . . . . 15 Asp C . 19650 1 65 . 1 1 15 15 ASP CA C 13 54.2774 . . . . . . . 15 Asp Ca . 19650 1 66 . 1 1 15 15 ASP CB C 13 41.2399 . . . . . . . 15 Asp Cb . 19650 1 67 . 1 1 15 15 ASP N N 15 122.171 . . . . . . . 15 Asp N . 19650 1 68 . 1 1 16 16 HIS H H 1 8.55602 . . . . . . . 16 His H . 19650 1 69 . 1 1 16 16 HIS C C 13 174.834 . . . . . . . 16 His C . 19650 1 70 . 1 1 16 16 HIS CA C 13 55.195 . . . . . . . 16 His Ca . 19650 1 71 . 1 1 16 16 HIS CB C 13 29.0746 . . . . . . . 16 His Cb . 19650 1 72 . 1 1 16 16 HIS N N 15 121.186 . . . . . . . 16 His N . 19650 1 73 . 1 1 17 17 THR H H 1 8.29959 . . . . . . . 17 Thr H . 19650 1 74 . 1 1 17 17 THR C C 13 174.494 . . . . . . . 17 Thr C . 19650 1 75 . 1 1 17 17 THR CA C 13 63.0755 . . . . . . . 17 Thr Ca . 19650 1 76 . 1 1 17 17 THR CB C 13 69.7237 . . . . . . . 17 Thr Cb . 19650 1 77 . 1 1 17 17 THR N N 15 116.998 . . . . . . . 17 Thr N . 19650 1 78 . 1 1 18 18 TYR H H 1 8.35749 . . . . . . . 18 Tyr H . 19650 1 79 . 1 1 18 18 TYR C C 13 175.785 . . . . . . . 18 Tyr C . 19650 1 80 . 1 1 18 18 TYR CA C 13 57.9936 . . . . . . . 18 Tyr Ca . 19650 1 81 . 1 1 18 18 TYR CB C 13 38.5774 . . . . . . . 18 Tyr Cb . 19650 1 82 . 1 1 18 18 TYR N N 15 123.045 . . . . . . . 18 Tyr N . 19650 1 83 . 1 1 19 19 GLU H H 1 8.26038 . . . . . . . 19 Glu H . 19650 1 84 . 1 1 19 19 GLU C C 13 176.63 . . . . . . . 19 Glu C . 19650 1 85 . 1 1 19 19 GLU CA C 13 56.577 . . . . . . . 19 Glu Ca . 19650 1 86 . 1 1 19 19 GLU CB C 13 30.4235 . . . . . . . 19 Glu Cb . 19650 1 87 . 1 1 19 19 GLU N N 15 124.09 . . . . . . . 19 Glu N . 19650 1 88 . 1 1 20 20 GLY H H 1 7.95668 . . . . . . . 20 Gly H . 19650 1 89 . 1 1 20 20 GLY C C 13 173.957 . . . . . . . 20 Gly C . 19650 1 90 . 1 1 20 20 GLY CA C 13 45.3612 . . . . . . . 20 Gly Ca . 19650 1 91 . 1 1 20 20 GLY N N 15 110.166 . . . . . . . 20 Gly N . 19650 1 92 . 1 1 21 21 LEU H H 1 8.05727 . . . . . . . 21 Leu H . 19650 1 93 . 1 1 21 21 LEU C C 13 177.21 . . . . . . . 21 Leu C . 19650 1 94 . 1 1 21 21 LEU CA C 13 54.9823 . . . . . . . 21 Leu Ca . 19650 1 95 . 1 1 21 21 LEU CB C 13 42.681 . . . . . . . 21 Leu Cb . 19650 1 96 . 1 1 21 21 LEU N N 15 121.799 . . . . . . . 21 Leu N . 19650 1 97 . 1 1 22 22 ASP H H 1 8.47854 . . . . . . . 22 Asp H . 19650 1 98 . 1 1 22 22 ASP C C 13 176.346 . . . . . . . 22 Asp C . 19650 1 99 . 1 1 22 22 ASP CA C 13 54.2094 . . . . . . . 22 Asp Ca . 19650 1 100 . 1 1 22 22 ASP CB C 13 40.8053 . . . . . . . 22 Asp Cb . 19650 1 101 . 1 1 22 22 ASP N N 15 122.322 . . . . . . . 22 Asp N . 19650 1 102 . 1 1 23 23 ILE H H 1 8.01852 . . . . . . . 23 Ile H . 19650 1 103 . 1 1 23 23 ILE C C 13 176.122 . . . . . . . 23 Ile C . 19650 1 104 . 1 1 23 23 ILE CA C 13 61.3539 . . . . . . . 23 Ile Ca . 19650 1 105 . 1 1 23 23 ILE CB C 13 39.0208 . . . . . . . 23 Ile Cb . 19650 1 106 . 1 1 23 23 ILE N N 15 121.419 . . . . . . . 23 Ile N . 19650 1 107 . 1 1 24 24 ASP H H 1 8.40679 . . . . . . . 24 Asp H . 19650 1 108 . 1 1 24 24 ASP C C 13 176.663 . . . . . . . 24 Asp C . 19650 1 109 . 1 1 24 24 ASP CA C 13 54.4365 . . . . . . . 24 Asp Ca . 19650 1 110 . 1 1 24 24 ASP CB C 13 40.9738 . . . . . . . 24 Asp Cb . 19650 1 111 . 1 1 24 24 ASP N N 15 124.561 . . . . . . . 24 Asp N . 19650 1 112 . 1 1 25 25 GLN H H 1 8.43995 . . . . . . . 25 Gln H . 19650 1 113 . 1 1 25 25 GLN C C 13 176.458 . . . . . . . 25 Gln C . 19650 1 114 . 1 1 25 25 GLN CA C 13 56.0783 . . . . . . . 25 Gln Ca . 19650 1 115 . 1 1 25 25 GLN CB C 13 29.2239 . . . . . . . 25 Gln Cb . 19650 1 116 . 1 1 25 25 GLN N N 15 122.665 . . . . . . . 25 Gln N . 19650 1 117 . 1 1 26 26 THR H H 1 8.27984 . . . . . . . 26 Thr H . 19650 1 118 . 1 1 26 26 THR C C 13 174.62 . . . . . . . 26 Thr C . 19650 1 119 . 1 1 26 26 THR CA C 13 62.6497 . . . . . . . 26 Thr Ca . 19650 1 120 . 1 1 26 26 THR CB C 13 69.7373 . . . . . . . 26 Thr Cb . 19650 1 121 . 1 1 26 26 THR N N 15 115.768 . . . . . . . 26 Thr N . 19650 1 122 . 1 1 27 27 ALA H H 1 8.19491 . . . . . . . 27 Ala H . 19650 1 123 . 1 1 27 27 ALA C C 13 177.695 . . . . . . . 27 Ala C . 19650 1 124 . 1 1 27 27 ALA CA C 13 52.6197 . . . . . . . 27 Ala Ca . 19650 1 125 . 1 1 27 27 ALA CB C 13 19.329 . . . . . . . 27 Ala Cb . 19650 1 126 . 1 1 27 27 ALA N N 15 127.386 . . . . . . . 27 Ala N . 19650 1 127 . 1 1 28 28 THR H H 1 8.09698 . . . . . . . 28 Thr H . 19650 1 128 . 1 1 28 28 THR C C 13 174.326 . . . . . . . 28 Thr C . 19650 1 129 . 1 1 28 28 THR CA C 13 61.661 . . . . . . . 28 Thr Ca . 19650 1 130 . 1 1 28 28 THR CB C 13 70.0784 . . . . . . . 28 Thr Cb . 19650 1 131 . 1 1 28 28 THR N N 15 114.239 . . . . . . . 28 Thr N . 19650 1 132 . 1 1 29 29 TYR H H 1 8.24364 . . . . . . . 29 Tyr H . 19650 1 133 . 1 1 29 29 TYR C C 13 175.746 . . . . . . . 29 Tyr C . 19650 1 134 . 1 1 29 29 TYR CA C 13 58.1926 . . . . . . . 29 Tyr Ca . 19650 1 135 . 1 1 29 29 TYR CB C 13 38.8461 . . . . . . . 29 Tyr Cb . 19650 1 136 . 1 1 29 29 TYR N N 15 123.283 . . . . . . . 29 Tyr N . 19650 1 137 . 1 1 30 30 GLU H H 1 8.25662 . . . . . . . 30 Glu H . 19650 1 138 . 1 1 30 30 GLU C C 13 175.904 . . . . . . . 30 Glu C . 19650 1 139 . 1 1 30 30 GLU CA C 13 56.5661 . . . . . . . 30 Glu Ca . 19650 1 140 . 1 1 30 30 GLU CB C 13 30.6177 . . . . . . . 30 Glu Cb . 19650 1 141 . 1 1 30 30 GLU N N 15 122.986 . . . . . . . 30 Glu N . 19650 1 142 . 1 1 31 31 ASP H H 1 8.29959 . . . . . . . 31 Asp H . 19650 1 143 . 1 1 31 31 ASP C C 13 176.344 . . . . . . . 31 Asp C . 19650 1 144 . 1 1 31 31 ASP CA C 13 54.5051 . . . . . . . 31 Asp Ca . 19650 1 145 . 1 1 31 31 ASP CB C 13 41.0688 . . . . . . . 31 Asp Cb . 19650 1 146 . 1 1 31 31 ASP N N 15 122.434 . . . . . . . 31 Asp N . 19650 1 147 . 1 1 32 32 ILE H H 1 8.05988 . . . . . . . 32 Ile H . 19650 1 148 . 1 1 32 32 ILE C C 13 176.695 . . . . . . . 32 Ile C . 19650 1 149 . 1 1 32 32 ILE CA C 13 61.614 . . . . . . . 32 Ile Ca . 19650 1 150 . 1 1 32 32 ILE CB C 13 38.6051 . . . . . . . 32 Ile Cb . 19650 1 151 . 1 1 32 32 ILE N N 15 122.064 . . . . . . . 32 Ile N . 19650 1 152 . 1 1 33 33 VAL H H 1 8.25145 . . . . . . . 33 Val H . 19650 1 153 . 1 1 33 33 VAL C C 13 176.782 . . . . . . . 33 Val C . 19650 1 154 . 1 1 33 33 VAL CA C 13 63.2009 . . . . . . . 33 Val Ca . 19650 1 155 . 1 1 33 33 VAL CB C 13 32.5319 . . . . . . . 33 Val Cb . 19650 1 156 . 1 1 33 33 VAL N N 15 125.256 . . . . . . . 33 Val N . 19650 1 157 . 1 1 34 34 THR H H 1 8.2091 . . . . . . . 34 Thr H . 19650 1 158 . 1 1 34 34 THR C C 13 174.663 . . . . . . . 34 Thr C . 19650 1 159 . 1 1 34 34 THR CA C 13 62.4727 . . . . . . . 34 Thr Ca . 19650 1 160 . 1 1 34 34 THR CB C 13 69.5653 . . . . . . . 34 Thr Cb . 19650 1 161 . 1 1 34 34 THR N N 15 119.547 . . . . . . . 34 Thr N . 19650 1 162 . 1 1 35 35 LEU H H 1 8.21638 . . . . . . . 35 Leu H . 19650 1 163 . 1 1 35 35 LEU C C 13 177.477 . . . . . . . 35 Leu C . 19650 1 164 . 1 1 35 35 LEU CA C 13 55.3708 . . . . . . . 35 Leu Ca . 19650 1 165 . 1 1 35 35 LEU CB C 13 42.3639 . . . . . . . 35 Leu Cb . 19650 1 166 . 1 1 35 35 LEU N N 15 125.722 . . . . . . . 35 Leu N . 19650 1 167 . 1 1 36 36 ARG H H 1 8.40962 . . . . . . . 36 Arg H . 19650 1 168 . 1 1 36 36 ARG C C 13 176.741 . . . . . . . 36 Arg C . 19650 1 169 . 1 1 36 36 ARG CA C 13 56.1921 . . . . . . . 36 Arg Ca . 19650 1 170 . 1 1 36 36 ARG CB C 13 30.6726 . . . . . . . 36 Arg Cb . 19650 1 171 . 1 1 36 36 ARG N N 15 123.054 . . . . . . . 36 Arg N . 19650 1 172 . 1 1 37 37 THR H H 1 8.15924 . . . . . . . 37 Thr H . 19650 1 173 . 1 1 37 37 THR C C 13 175.304 . . . . . . . 37 Thr C . 19650 1 174 . 1 1 37 37 THR CA C 13 62.3105 . . . . . . . 37 Thr Ca . 19650 1 175 . 1 1 37 37 THR CB C 13 69.8018 . . . . . . . 37 Thr Cb . 19650 1 176 . 1 1 37 37 THR N N 15 115.736 . . . . . . . 37 Thr N . 19650 1 177 . 1 1 38 38 GLY H H 1 8.44925 . . . . . . . 38 Gly H . 19650 1 178 . 1 1 38 38 GLY C C 13 174.027 . . . . . . . 38 Gly C . 19650 1 179 . 1 1 38 38 GLY CA C 13 45.2402 . . . . . . . 38 Gly Ca . 19650 1 180 . 1 1 38 38 GLY N N 15 112.049 . . . . . . . 38 Gly N . 19650 1 181 . 1 1 39 39 GLU H H 1 8.17406 . . . . . . . 39 Glu H . 19650 1 182 . 1 1 39 39 GLU C C 13 176.475 . . . . . . . 39 Glu C . 19650 1 183 . 1 1 39 39 GLU CA C 13 56.406 . . . . . . . 39 Glu Ca . 19650 1 184 . 1 1 39 39 GLU CB C 13 30.5382 . . . . . . . 39 Glu Cb . 19650 1 185 . 1 1 39 39 GLU N N 15 121.558 . . . . . . . 39 Glu N . 19650 1 186 . 1 1 40 40 VAL H H 1 8.2591 . . . . . . . 40 Val H . 19650 1 187 . 1 1 40 40 VAL C C 13 176.048 . . . . . . . 40 Val C . 19650 1 188 . 1 1 40 40 VAL CA C 13 62.3579 . . . . . . . 40 Val Ca . 19650 1 189 . 1 1 40 40 VAL CB C 13 32.7022 . . . . . . . 40 Val Cb . 19650 1 190 . 1 1 40 40 VAL N N 15 123.198 . . . . . . . 40 Val N . 19650 1 191 . 1 1 41 41 LYS H H 1 8.34976 . . . . . . . 41 Lys H . 19650 1 192 . 1 1 41 41 LYS C C 13 176.016 . . . . . . . 41 Lys C . 19650 1 193 . 1 1 41 41 LYS CA C 13 56.0375 . . . . . . . 41 Lys Ca . 19650 1 194 . 1 1 41 41 LYS CB C 13 33.0682 . . . . . . . 41 Lys Cb . 19650 1 195 . 1 1 41 41 LYS N N 15 126.511 . . . . . . . 41 Lys N . 19650 1 196 . 1 1 42 42 TRP H H 1 8.15199 . . . . . . . 42 Trp H . 19650 1 197 . 1 1 42 42 TRP C C 13 176.141 . . . . . . . 42 Trp C . 19650 1 198 . 1 1 42 42 TRP CA C 13 57.0638 . . . . . . . 42 Trp Ca . 19650 1 199 . 1 1 42 42 TRP CB C 13 29.9314 . . . . . . . 42 Trp Cb . 19650 1 200 . 1 1 42 42 TRP N N 15 123.717 . . . . . . . 42 Trp N . 19650 1 201 . 1 1 43 43 SER H H 1 8.23315 . . . . . . . 43 Ser H . 19650 1 202 . 1 1 43 43 SER C C 13 174.202 . . . . . . . 43 Ser C . 19650 1 203 . 1 1 43 43 SER CA C 13 57.9411 . . . . . . . 43 Ser Ca . 19650 1 204 . 1 1 43 43 SER CB C 13 64.1061 . . . . . . . 43 Ser Cb . 19650 1 205 . 1 1 43 43 SER N N 15 118.963 . . . . . . . 43 Ser N . 19650 1 206 . 1 1 44 44 VAL H H 1 8.14279 . . . . . . . 44 Val H . 19650 1 207 . 1 1 44 44 VAL C C 13 176.767 . . . . . . . 44 Val C . 19650 1 208 . 1 1 44 44 VAL CA C 13 62.915 . . . . . . . 44 Val Ca . 19650 1 209 . 1 1 44 44 VAL CB C 13 32.5645 . . . . . . . 44 Val Cb . 19650 1 210 . 1 1 44 44 VAL N N 15 122.474 . . . . . . . 44 Val N . 19650 1 211 . 1 1 45 45 GLY H H 1 8.44075 . . . . . . . 45 Gly H . 19650 1 212 . 1 1 45 45 GLY C C 13 173.934 . . . . . . . 45 Gly C . 19650 1 213 . 1 1 45 45 GLY CA C 13 44.9901 . . . . . . . 45 Gly Ca . 19650 1 214 . 1 1 45 45 GLY N N 15 113.034 . . . . . . . 45 Gly N . 19650 1 215 . 1 1 46 46 GLU H H 1 8.11819 . . . . . . . 46 Glu H . 19650 1 216 . 1 1 46 46 GLU C C 13 176.061 . . . . . . . 46 Glu C . 19650 1 217 . 1 1 46 46 GLU CA C 13 56.3763 . . . . . . . 46 Glu Ca . 19650 1 218 . 1 1 46 46 GLU CB C 13 30.6139 . . . . . . . 46 Glu Cb . 19650 1 219 . 1 1 46 46 GLU N N 15 120.591 . . . . . . . 46 Glu N . 19650 1 220 . 1 1 47 47 HIS H H 1 8.4947 . . . . . . . 47 His H . 19650 1 221 . 1 1 47 47 HIS N N 15 120.269 . . . . . . . 47 His N . 19650 1 222 . 1 1 48 48 PRO C C 13 177.761 . . . . . . . 48 Pro C . 19650 1 223 . 1 1 48 48 PRO CA C 13 63.5363 . . . . . . . 48 Pro Ca . 19650 1 224 . 1 1 48 48 PRO CB C 13 32.0702 . . . . . . . 48 Pro Cb . 19650 1 225 . 1 1 49 49 GLY H H 1 8.66925 . . . . . . . 49 Gly H . 19650 1 226 . 1 1 49 49 GLY C C 13 173.992 . . . . . . . 49 Gly C . 19650 1 227 . 1 1 49 49 GLY CA C 13 45.2765 . . . . . . . 49 Gly Ca . 19650 1 228 . 1 1 49 49 GLY N N 15 111.092 . . . . . . . 49 Gly N . 19650 1 229 . 1 1 50 50 GLN H H 1 8.16729 . . . . . . . 50 Gln H . 19650 1 230 . 1 1 50 50 GLN C C 13 175.192 . . . . . . . 50 Gln C . 19650 1 231 . 1 1 50 50 GLN CA C 13 55.59 . . . . . . . 50 Gln Ca . 19650 1 232 . 1 1 50 50 GLN CB C 13 29.9626 . . . . . . . 50 Gln Cb . 19650 1 233 . 1 1 50 50 GLN N N 15 120.796 . . . . . . . 50 Gln N . 19650 1 234 . 1 1 51 51 GLU H H 1 8.22408 . . . . . . . 51 Glu H . 19650 1 235 . 1 1 51 51 GLU N N 15 128.782 . . . . . . . 51 Glu N . 19650 1 stop_ save_