################################### # 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_phosph_denatured_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CD79b_cyt_phosph_denatured_assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19656 _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' . . . 19656 1 2 '3D HN(ca)CO' . . . 19656 1 3 '3D HNCA' . . . 19656 1 4 '3D HNCACB' . . . 19656 1 5 '3D HNCO' . . . 19656 1 6 '3D HN(CO)CA' . . . 19656 1 7 '3D HN(COCA)CB' . . . 19656 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 4 $TANSY . . 19656 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 13 177.22 . . . . . . . 2 Leu C . 19656 1 2 . 1 1 2 2 LEU CA C 13 55.7918 . . . . . . . 2 Leu Ca . 19656 1 3 . 1 1 2 2 LEU CB C 13 42.3125 . . . . . . . 2 Leu Cb . 19656 1 4 . 1 1 3 3 LEU H H 1 8.33298 . . . . . . . 3 Leu H . 19656 1 5 . 1 1 3 3 LEU C C 13 177.149 . . . . . . . 3 Leu C . 19656 1 6 . 1 1 3 3 LEU CA C 13 55.092 . . . . . . . 3 Leu Ca . 19656 1 7 . 1 1 3 3 LEU CB C 13 42.3728 . . . . . . . 3 Leu Cb . 19656 1 8 . 1 1 3 3 LEU N N 15 122.909 . . . . . . . 3 Leu N . 19656 1 9 . 1 1 4 4 ASP H H 1 8.21857 . . . . . . . 4 Asp H . 19656 1 10 . 1 1 4 4 ASP C C 13 176.249 . . . . . . . 4 Asp C . 19656 1 11 . 1 1 4 4 ASP CA C 13 54.3463 . . . . . . . 4 Asp Ca . 19656 1 12 . 1 1 4 4 ASP CB C 13 41.4169 . . . . . . . 4 Asp Cb . 19656 1 13 . 1 1 4 4 ASP N N 15 122.254 . . . . . . . 4 Asp N . 19656 1 14 . 1 1 5 5 LYS H H 1 8.30555 . . . . . . . 5 Lys H . 19656 1 15 . 1 1 5 5 LYS C C 13 176.24 . . . . . . . 5 Lys C . 19656 1 16 . 1 1 5 5 LYS CA C 13 56.6669 . . . . . . . 5 Lys Ca . 19656 1 17 . 1 1 5 5 LYS CB C 13 33.2063 . . . . . . . 5 Lys Cb . 19656 1 18 . 1 1 5 5 LYS N N 15 122.632 . . . . . . . 5 Lys N . 19656 1 19 . 1 1 6 6 ASP H H 1 8.45672 . . . . . . . 6 Asp H . 19656 1 20 . 1 1 6 6 ASP C C 13 176.134 . . . . . . . 6 Asp C . 19656 1 21 . 1 1 6 6 ASP CA C 13 54.1587 . . . . . . . 6 Asp Ca . 19656 1 22 . 1 1 6 6 ASP CB C 13 41.2443 . . . . . . . 6 Asp Cb . 19656 1 23 . 1 1 6 6 ASP N N 15 122.461 . . . . . . . 6 Asp N . 19656 1 24 . 1 1 7 7 ASP H H 1 8.35514 . . . . . . . 7 Asp H . 19656 1 25 . 1 1 7 7 ASP C C 13 176.721 . . . . . . . 7 Asp C . 19656 1 26 . 1 1 7 7 ASP CA C 13 54.3386 . . . . . . . 7 Asp Ca . 19656 1 27 . 1 1 7 7 ASP CB C 13 41.2128 . . . . . . . 7 Asp Cb . 19656 1 28 . 1 1 7 7 ASP N N 15 123.287 . . . . . . . 7 Asp N . 19656 1 29 . 1 1 8 8 SER H H 1 8.38109 . . . . . . . 8 Ser H . 19656 1 30 . 1 1 8 8 SER C C 13 174.964 . . . . . . . 8 Ser C . 19656 1 31 . 1 1 8 8 SER CA C 13 59.3029 . . . . . . . 8 Ser Ca . 19656 1 32 . 1 1 8 8 SER CB C 13 63.7825 . . . . . . . 8 Ser Cb . 19656 1 33 . 1 1 8 8 SER N N 15 117.641 . . . . . . . 8 Ser N . 19656 1 34 . 1 1 9 9 LYS H H 1 8.26295 . . . . . . . 9 Lys H . 19656 1 35 . 1 1 9 9 LYS C C 13 176.404 . . . . . . . 9 Lys C . 19656 1 36 . 1 1 9 9 LYS CA C 13 56.1823 . . . . . . . 9 Lys Ca . 19656 1 37 . 1 1 9 9 LYS CB C 13 32.9726 . . . . . . . 9 Lys Cb . 19656 1 38 . 1 1 9 9 LYS N N 15 123.773 . . . . . . . 9 Lys N . 19656 1 39 . 1 1 10 10 ALA H H 1 8.18738 . . . . . . . 10 Ala H . 19656 1 40 . 1 1 10 10 ALA C C 13 178.356 . . . . . . . 10 Ala C . 19656 1 41 . 1 1 10 10 ALA CA C 13 52.8674 . . . . . . . 10 Ala Ca . 19656 1 42 . 1 1 10 10 ALA CB C 13 19.2419 . . . . . . . 10 Ala Cb . 19656 1 43 . 1 1 10 10 ALA N N 15 125.843 . . . . . . . 10 Ala N . 19656 1 44 . 1 1 11 11 GLY H H 1 8.45352 . . . . . . . 11 Gly H . 19656 1 45 . 1 1 11 11 GLY C C 13 174.28 . . . . . . . 11 Gly C . 19656 1 46 . 1 1 11 11 GLY CA C 13 45.3152 . . . . . . . 11 Gly Ca . 19656 1 47 . 1 1 11 11 GLY N N 15 109.536 . . . . . . . 11 Gly N . 19656 1 48 . 1 1 12 12 MET H H 1 8.20985 . . . . . . . 12 Met H . 19656 1 49 . 1 1 12 12 MET C C 13 176.394 . . . . . . . 12 Met C . 19656 1 50 . 1 1 12 12 MET CA C 13 55.5356 . . . . . . . 12 Met Ca . 19656 1 51 . 1 1 12 12 MET CB C 13 33.1878 . . . . . . . 12 Met Cb . 19656 1 52 . 1 1 12 12 MET N N 15 120.686 . . . . . . . 12 Met N . 19656 1 53 . 1 1 13 13 GLU H H 1 8.62551 . . . . . . . 13 Glu H . 19656 1 54 . 1 1 13 13 GLU C C 13 176.477 . . . . . . . 13 Glu C . 19656 1 55 . 1 1 13 13 GLU CA C 13 56.6395 . . . . . . . 13 Glu Ca . 19656 1 56 . 1 1 13 13 GLU CB C 13 30.1577 . . . . . . . 13 Glu Cb . 19656 1 57 . 1 1 13 13 GLU N N 15 123.29 . . . . . . . 13 Glu N . 19656 1 58 . 1 1 14 14 GLU H H 1 8.47909 . . . . . . . 14 Glu H . 19656 1 59 . 1 1 14 14 GLU C C 13 175.847 . . . . . . . 14 Glu C . 19656 1 60 . 1 1 14 14 GLU CA C 13 56.3396 . . . . . . . 14 Glu Ca . 19656 1 61 . 1 1 14 14 GLU CB C 13 30.5363 . . . . . . . 14 Glu Cb . 19656 1 62 . 1 1 14 14 GLU N N 15 123.034 . . . . . . . 14 Glu N . 19656 1 63 . 1 1 15 15 ASP H H 1 8.43751 . . . . . . . 15 Asp H . 19656 1 64 . 1 1 15 15 ASP C C 13 176.146 . . . . . . . 15 Asp C . 19656 1 65 . 1 1 15 15 ASP CA C 13 54.3374 . . . . . . . 15 Asp Ca . 19656 1 66 . 1 1 15 15 ASP CB C 13 41.386 . . . . . . . 15 Asp Cb . 19656 1 67 . 1 1 15 15 ASP N N 15 122.629 . . . . . . . 15 Asp N . 19656 1 68 . 1 1 16 16 HIS H H 1 8.66195 . . . . . . . 16 His H . 19656 1 69 . 1 1 16 16 HIS C C 13 174.495 . . . . . . . 16 His C . 19656 1 70 . 1 1 16 16 HIS CA C 13 54.8695 . . . . . . . 16 His Ca . 19656 1 71 . 1 1 16 16 HIS CB C 13 29.0194 . . . . . . . 16 His Cb . 19656 1 72 . 1 1 16 16 HIS N N 15 121.408 . . . . . . . 16 His N . 19656 1 73 . 1 1 17 17 THR H H 1 8.31491 . . . . . . . 17 Thr H . 19656 1 74 . 1 1 17 17 THR C C 13 174.299 . . . . . . . 17 Thr C . 19656 1 75 . 1 1 17 17 THR CA C 13 62.2377 . . . . . . . 17 Thr Ca . 19656 1 76 . 1 1 17 17 THR CB C 13 70.0575 . . . . . . . 17 Thr Cb . 19656 1 77 . 1 1 17 17 THR N N 15 116.717 . . . . . . . 17 Thr N . 19656 1 78 . 1 1 18 18 PTR H H 1 8.48959 . . . . . . . 18 Tyr H . 19656 1 79 . 1 1 18 18 PTR C C 13 175.694 . . . . . . . 18 Tyr C . 19656 1 80 . 1 1 18 18 PTR CA C 13 57.7878 . . . . . . . 18 Tyr Ca . 19656 1 81 . 1 1 18 18 PTR CB C 13 39.0559 . . . . . . . 18 Tyr Cb . 19656 1 82 . 1 1 18 18 PTR N N 15 123.185 . . . . . . . 18 Tyr N . 19656 1 83 . 1 1 19 19 GLU H H 1 8.43845 . . . . . . . 19 Glu H . 19656 1 84 . 1 1 19 19 GLU C C 13 176.78 . . . . . . . 19 Glu C . 19656 1 85 . 1 1 19 19 GLU CA C 13 56.5165 . . . . . . . 19 Glu Ca . 19656 1 86 . 1 1 19 19 GLU CB C 13 30.4603 . . . . . . . 19 Glu Cb . 19656 1 87 . 1 1 19 19 GLU N N 15 123.494 . . . . . . . 19 Glu N . 19656 1 88 . 1 1 20 20 GLY H H 1 8.36987 . . . . . . . 20 Gly H . 19656 1 89 . 1 1 20 20 GLY C C 13 173.907 . . . . . . . 20 Gly C . 19656 1 90 . 1 1 20 20 GLY CA C 13 45.2963 . . . . . . . 20 Gly Ca . 19656 1 91 . 1 1 20 20 GLY N N 15 111.087 . . . . . . . 20 Gly N . 19656 1 92 . 1 1 21 21 LEU H H 1 8.15382 . . . . . . . 21 Leu H . 19656 1 93 . 1 1 21 21 LEU C C 13 177.151 . . . . . . . 21 Leu C . 19656 1 94 . 1 1 21 21 LEU CA C 13 54.9489 . . . . . . . 21 Leu Ca . 19656 1 95 . 1 1 21 21 LEU CB C 13 42.8563 . . . . . . . 21 Leu Cb . 19656 1 96 . 1 1 21 21 LEU N N 15 122.429 . . . . . . . 21 Leu N . 19656 1 97 . 1 1 22 22 ASP H H 1 8.57507 . . . . . . . 22 Asp H . 19656 1 98 . 1 1 22 22 ASP C C 13 176.27 . . . . . . . 22 Asp C . 19656 1 99 . 1 1 22 22 ASP CA C 13 54.1403 . . . . . . . 22 Asp Ca . 19656 1 100 . 1 1 22 22 ASP CB C 13 40.8639 . . . . . . . 22 Asp Cb . 19656 1 101 . 1 1 22 22 ASP N N 15 122.921 . . . . . . . 22 Asp N . 19656 1 102 . 1 1 23 23 ILE H H 1 8.07503 . . . . . . . 23 Ile H . 19656 1 103 . 1 1 23 23 ILE C C 13 175.989 . . . . . . . 23 Ile C . 19656 1 104 . 1 1 23 23 ILE CA C 13 61.2857 . . . . . . . 23 Ile Ca . 19656 1 105 . 1 1 23 23 ILE CB C 13 39.185 . . . . . . . 23 Ile Cb . 19656 1 106 . 1 1 23 23 ILE N N 15 121.664 . . . . . . . 23 Ile N . 19656 1 107 . 1 1 24 24 ASP H H 1 8.46306 . . . . . . . 24 Asp H . 19656 1 108 . 1 1 24 24 ASP CA C 13 54.2946 . . . . . . . 24 Asp Ca . 19656 1 109 . 1 1 24 24 ASP CB C 13 40.8979 . . . . . . . 24 Asp Cb . 19656 1 110 . 1 1 24 24 ASP N N 15 124.864 . . . . . . . 24 Asp N . 19656 1 111 . 1 1 25 25 GLN C C 13 176.314 . . . . . . . 25 Gln C . 19656 1 112 . 1 1 25 25 GLN CA C 13 56.017 . . . . . . . 25 Gln Ca . 19656 1 113 . 1 1 25 25 GLN CB C 13 29.4378 . . . . . . . 25 Gln Cb . 19656 1 114 . 1 1 26 26 THR H H 1 8.30066 . . . . . . . 26 Thr H . 19656 1 115 . 1 1 26 26 THR C C 13 174.483 . . . . . . . 26 Thr C . 19656 1 116 . 1 1 26 26 THR CA C 13 62.4065 . . . . . . . 26 Thr Ca . 19656 1 117 . 1 1 26 26 THR CB C 13 70.0321 . . . . . . . 26 Thr Cb . 19656 1 118 . 1 1 26 26 THR N N 15 116.237 . . . . . . . 26 Thr N . 19656 1 119 . 1 1 27 27 ALA H H 1 8.28408 . . . . . . . 27 Ala H . 19656 1 120 . 1 1 27 27 ALA C C 13 177.697 . . . . . . . 27 Ala C . 19656 1 121 . 1 1 27 27 ALA CA C 13 52.5102 . . . . . . . 27 Ala Ca . 19656 1 122 . 1 1 27 27 ALA CB C 13 19.4001 . . . . . . . 27 Ala Cb . 19656 1 123 . 1 1 27 27 ALA N N 15 127.725 . . . . . . . 27 Ala N . 19656 1 124 . 1 1 28 28 THR H H 1 8.17268 . . . . . . . 28 Thr H . 19656 1 125 . 1 1 28 28 THR C C 13 174.447 . . . . . . . 28 Thr C . 19656 1 126 . 1 1 28 28 THR CA C 13 61.6111 . . . . . . . 28 Thr Ca . 19656 1 127 . 1 1 28 28 THR CB C 13 70.2498 . . . . . . . 28 Thr Cb . 19656 1 128 . 1 1 28 28 THR N N 15 114.754 . . . . . . . 28 Thr N . 19656 1 129 . 1 1 29 29 PTR H H 1 8.34483 . . . . . . . 29 Tyr H . 19656 1 130 . 1 1 29 29 PTR C C 13 175.786 . . . . . . . 29 Tyr C . 19656 1 131 . 1 1 29 29 PTR CA C 13 58.0234 . . . . . . . 29 Tyr Ca . 19656 1 132 . 1 1 29 29 PTR CB C 13 39.064 . . . . . . . 29 Tyr Cb . 19656 1 133 . 1 1 29 29 PTR N N 15 123.22 . . . . . . . 29 Tyr N . 19656 1 134 . 1 1 30 30 GLU H H 1 8.434 . . . . . . . 30 Glu H . 19656 1 135 . 1 1 30 30 GLU C C 13 175.947 . . . . . . . 30 Glu C . 19656 1 136 . 1 1 30 30 GLU CA C 13 56.4501 . . . . . . . 30 Glu Ca . 19656 1 137 . 1 1 30 30 GLU CB C 13 30.5829 . . . . . . . 30 Glu Cb . 19656 1 138 . 1 1 30 30 GLU N N 15 122.741 . . . . . . . 30 Glu N . 19656 1 139 . 1 1 31 31 ASP H H 1 8.40678 . . . . . . . 31 Asp H . 19656 1 140 . 1 1 31 31 ASP C C 13 176.155 . . . . . . . 31 Asp C . 19656 1 141 . 1 1 31 31 ASP CA C 13 54.2627 . . . . . . . 31 Asp Ca . 19656 1 142 . 1 1 31 31 ASP CB C 13 40.9662 . . . . . . . 31 Asp Cb . 19656 1 143 . 1 1 31 31 ASP N N 15 122.977 . . . . . . . 31 Asp N . 19656 1 144 . 1 1 32 32 ILE H H 1 8.12241 . . . . . . . 32 Ile H . 19656 1 145 . 1 1 32 32 ILE C C 13 176.413 . . . . . . . 32 Ile C . 19656 1 146 . 1 1 32 32 ILE CA C 13 61.3614 . . . . . . . 32 Ile Ca . 19656 1 147 . 1 1 32 32 ILE CB C 13 38.7221 . . . . . . . 32 Ile Cb . 19656 1 148 . 1 1 32 32 ILE N N 15 122.451 . . . . . . . 32 Ile N . 19656 1 149 . 1 1 33 33 VAL H H 1 8.29947 . . . . . . . 33 Val H . 19656 1 150 . 1 1 33 33 VAL C C 13 176.551 . . . . . . . 33 Val C . 19656 1 151 . 1 1 33 33 VAL CA C 13 62.8264 . . . . . . . 33 Val Ca . 19656 1 152 . 1 1 33 33 VAL CB C 13 32.7893 . . . . . . . 33 Val Cb . 19656 1 153 . 1 1 33 33 VAL N N 15 125.784 . . . . . . . 33 Val N . 19656 1 154 . 1 1 34 34 THR H H 1 8.27086 . . . . . . . 34 Thr H . 19656 1 155 . 1 1 34 34 THR C C 13 174.525 . . . . . . . 34 Thr C . 19656 1 156 . 1 1 34 34 THR CA C 13 62.1457 . . . . . . . 34 Thr Ca . 19656 1 157 . 1 1 34 34 THR CB C 13 69.7821 . . . . . . . 34 Thr Cb . 19656 1 158 . 1 1 34 34 THR N N 15 120.032 . . . . . . . 34 Thr N . 19656 1 159 . 1 1 35 35 LEU H H 1 8.29955 . . . . . . . 35 Leu H . 19656 1 160 . 1 1 35 35 LEU C C 13 177.331 . . . . . . . 35 Leu C . 19656 1 161 . 1 1 35 35 LEU CA C 13 55.1644 . . . . . . . 35 Leu Ca . 19656 1 162 . 1 1 35 35 LEU CB C 13 42.4424 . . . . . . . 35 Leu Cb . 19656 1 163 . 1 1 35 35 LEU N N 15 126.327 . . . . . . . 35 Leu N . 19656 1 164 . 1 1 36 36 ARG H H 1 8.57082 . . . . . . . 36 Arg H . 19656 1 165 . 1 1 36 36 ARG C C 13 176.72 . . . . . . . 36 Arg C . 19656 1 166 . 1 1 36 36 ARG CA C 13 56.132 . . . . . . . 36 Arg Ca . 19656 1 167 . 1 1 36 36 ARG CB C 13 30.8998 . . . . . . . 36 Arg Cb . 19656 1 168 . 1 1 36 36 ARG N N 15 123.947 . . . . . . . 36 Arg N . 19656 1 169 . 1 1 37 37 THR H H 1 8.27343 . . . . . . . 37 Thr H . 19656 1 170 . 1 1 37 37 THR C C 13 175.229 . . . . . . . 37 Thr C . 19656 1 171 . 1 1 37 37 THR CA C 13 62.0951 . . . . . . . 37 Thr Ca . 19656 1 172 . 1 1 37 37 THR CB C 13 70 . . . . . . . 37 Thr Cb . 19656 1 173 . 1 1 37 37 THR N N 15 116.18 . . . . . . . 37 Thr N . 19656 1 174 . 1 1 38 38 GLY H H 1 8.45251 . . . . . . . 38 Gly H . 19656 1 175 . 1 1 38 38 GLY C C 13 173.898 . . . . . . . 38 Gly C . 19656 1 176 . 1 1 38 38 GLY CA C 13 45.1616 . . . . . . . 38 Gly Ca . 19656 1 177 . 1 1 38 38 GLY N N 15 111.988 . . . . . . . 38 Gly N . 19656 1 178 . 1 1 39 39 GLU H H 1 8.22204 . . . . . . . 39 Glu H . 19656 1 179 . 1 1 39 39 GLU C C 13 176.418 . . . . . . . 39 Glu C . 19656 1 180 . 1 1 39 39 GLU CA C 13 56.3135 . . . . . . . 39 Glu Ca . 19656 1 181 . 1 1 39 39 GLU CB C 13 30.6754 . . . . . . . 39 Glu Cb . 19656 1 182 . 1 1 39 39 GLU N N 15 121.745 . . . . . . . 39 Glu N . 19656 1 183 . 1 1 40 40 VAL H H 1 8.31903 . . . . . . . 40 Val H . 19656 1 184 . 1 1 40 40 VAL C C 13 175.947 . . . . . . . 40 Val C . 19656 1 185 . 1 1 40 40 VAL CA C 13 62.2877 . . . . . . . 40 Val Ca . 19656 1 186 . 1 1 40 40 VAL CB C 13 32.8474 . . . . . . . 40 Val Cb . 19656 1 187 . 1 1 40 40 VAL N N 15 123.613 . . . . . . . 40 Val N . 19656 1 188 . 1 1 41 41 LYS H H 1 8.39642 . . . . . . . 41 Lys H . 19656 1 189 . 1 1 41 41 LYS C C 13 176.048 . . . . . . . 41 Lys C . 19656 1 190 . 1 1 41 41 LYS CA C 13 56.0244 . . . . . . . 41 Lys Ca . 19656 1 191 . 1 1 41 41 LYS CB C 13 33.2255 . . . . . . . 41 Lys Cb . 19656 1 192 . 1 1 41 41 LYS N N 15 127.059 . . . . . . . 41 Lys N . 19656 1 193 . 1 1 42 42 TRP H H 1 8.26046 . . . . . . . 42 Trp H . 19656 1 194 . 1 1 42 42 TRP C C 13 176.23 . . . . . . . 42 Trp C . 19656 1 195 . 1 1 42 42 TRP CA C 13 56.9687 . . . . . . . 42 Trp Ca . 19656 1 196 . 1 1 42 42 TRP CB C 13 30.0238 . . . . . . . 42 Trp Cb . 19656 1 197 . 1 1 42 42 TRP N N 15 124.351 . . . . . . . 42 Trp N . 19656 1 198 . 1 1 43 43 SER H H 1 8.40845 . . . . . . . 43 Ser H . 19656 1 199 . 1 1 43 43 SER C C 13 174.316 . . . . . . . 43 Ser C . 19656 1 200 . 1 1 43 43 SER CA C 13 57.9698 . . . . . . . 43 Ser Ca . 19656 1 201 . 1 1 43 43 SER CB C 13 64.0849 . . . . . . . 43 Ser Cb . 19656 1 202 . 1 1 43 43 SER N N 15 119.249 . . . . . . . 43 Ser N . 19656 1 203 . 1 1 44 44 VAL H H 1 8.21217 . . . . . . . 44 Val H . 19656 1 204 . 1 1 44 44 VAL C C 13 176.639 . . . . . . . 44 Val C . 19656 1 205 . 1 1 44 44 VAL CA C 13 62.7537 . . . . . . . 44 Val Ca . 19656 1 206 . 1 1 44 44 VAL CB C 13 32.7549 . . . . . . . 44 Val Cb . 19656 1 207 . 1 1 44 44 VAL N N 15 122.64 . . . . . . . 44 Val N . 19656 1 208 . 1 1 45 45 GLY H H 1 8.41837 . . . . . . . 45 Gly H . 19656 1 209 . 1 1 45 45 GLY C C 13 173.857 . . . . . . . 45 Gly C . 19656 1 210 . 1 1 45 45 GLY CA C 13 44.9811 . . . . . . . 45 Gly Ca . 19656 1 211 . 1 1 45 45 GLY N N 15 113.036 . . . . . . . 45 Gly N . 19656 1 212 . 1 1 46 46 GLU H H 1 8.18227 . . . . . . . 46 Glu H . 19656 1 213 . 1 1 46 46 GLU C C 13 176.13 . . . . . . . 46 Glu C . 19656 1 214 . 1 1 46 46 GLU CA C 13 56.4231 . . . . . . . 46 Glu Ca . 19656 1 215 . 1 1 46 46 GLU CB C 13 30.6739 . . . . . . . 46 Glu Cb . 19656 1 216 . 1 1 46 46 GLU N N 15 120.971 . . . . . . . 46 Glu N . 19656 1 217 . 1 1 47 47 HIS H H 1 8.58357 . . . . . . . 47 His H . 19656 1 218 . 1 1 47 47 HIS N N 15 120.321 . . . . . . . 47 His N . 19656 1 219 . 1 1 48 48 PRO C C 13 177.541 . . . . . . . 48 Pro C . 19656 1 220 . 1 1 48 48 PRO CA C 13 63.5146 . . . . . . . 48 Pro Ca . 19656 1 221 . 1 1 48 48 PRO CB C 13 32.2366 . . . . . . . 48 Pro Cb . 19656 1 222 . 1 1 49 49 GLY H H 1 8.61549 . . . . . . . 49 Gly H . 19656 1 223 . 1 1 49 49 GLY C C 13 173.876 . . . . . . . 49 Gly C . 19656 1 224 . 1 1 49 49 GLY CA C 13 45.2325 . . . . . . . 49 Gly Ca . 19656 1 225 . 1 1 49 49 GLY N N 15 111.09 . . . . . . . 49 Gly N . 19656 1 226 . 1 1 50 50 GLN H H 1 8.20731 . . . . . . . 50 Gln H . 19656 1 227 . 1 1 50 50 GLN C C 13 175.263 . . . . . . . 50 Gln C . 19656 1 228 . 1 1 50 50 GLN CA C 13 55.7667 . . . . . . . 50 Gln Ca . 19656 1 229 . 1 1 50 50 GLN CB C 13 30.0597 . . . . . . . 50 Gln Cb . 19656 1 230 . 1 1 50 50 GLN N N 15 121.011 . . . . . . . 50 Gln N . 19656 1 231 . 1 1 51 51 GLU H H 1 8.26749 . . . . . . . 51 Glu H . 19656 1 232 . 1 1 51 51 GLU N N 15 128.801 . . . . . . . 51 Glu N . 19656 1 stop_ save_