################################### # 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_CD79a_cyt_phosph_denatured_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CD79a_cyt_phosph_denatured_assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19649 _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' . . . 19649 1 2 '3D HN(ca)CO' . . . 19649 1 3 '3D HNCA' . . . 19649 1 4 '3D HNCACB' . . . 19649 1 5 '3D HNCO' . . . 19649 1 6 '3D HN(CO)CA' . . . 19649 1 7 '3D HN(COCA)CB' . . . 19649 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 13 177.09 . . . . . . . 2 Leu C . 19649 1 2 . 1 1 2 2 LEU CA C 13 55.2349 . . . . . . . 2 Leu Ca . 19649 1 3 . 1 1 2 2 LEU CB C 13 42.6034 . . . . . . . 2 Leu Cb . 19649 1 4 . 1 1 3 3 ARG H H 1 8.56161 . . . . . . . 3 Arg H . 19649 1 5 . 1 1 3 3 ARG C C 13 176.265 . . . . . . . 3 Arg C . 19649 1 6 . 1 1 3 3 ARG CA C 13 56.0709 . . . . . . . 3 Arg Ca . 19649 1 7 . 1 1 3 3 ARG CB C 13 31.0443 . . . . . . . 3 Arg Cb . 19649 1 8 . 1 1 3 3 ARG N N 15 124.119 . . . . . . . 3 Arg N . 19649 1 9 . 1 1 4 4 LYS H H 1 8.50017 . . . . . . . 4 Lys H . 19649 1 10 . 1 1 4 4 LYS C C 13 176.526 . . . . . . . 4 Lys C . 19649 1 11 . 1 1 4 4 LYS CA C 13 56.3207 . . . . . . . 4 Lys Ca . 19649 1 12 . 1 1 4 4 LYS CB C 13 33.2365 . . . . . . . 4 Lys Cb . 19649 1 13 . 1 1 4 4 LYS N N 15 124.942 . . . . . . . 4 Lys N . 19649 1 14 . 1 1 5 5 ARG H H 1 8.50392 . . . . . . . 5 Arg H . 19649 1 15 . 1 1 5 5 ARG C C 13 176.192 . . . . . . . 5 Arg C . 19649 1 16 . 1 1 5 5 ARG CA C 13 56.3483 . . . . . . . 5 Arg Ca . 19649 1 17 . 1 1 5 5 ARG CB C 13 31.0303 . . . . . . . 5 Arg Cb . 19649 1 18 . 1 1 5 5 ARG N N 15 124.025 . . . . . . . 5 Arg N . 19649 1 19 . 1 1 6 6 TRP H H 1 8.32665 . . . . . . . 6 Trp H . 19649 1 20 . 1 1 6 6 TRP C C 13 176.319 . . . . . . . 6 Trp C . 19649 1 21 . 1 1 6 6 TRP CA C 13 57.1479 . . . . . . . 6 Trp Ca . 19649 1 22 . 1 1 6 6 TRP CB C 13 29.8263 . . . . . . . 6 Trp Cb . 19649 1 23 . 1 1 6 6 TRP N N 15 123.405 . . . . . . . 6 Trp N . 19649 1 24 . 1 1 7 7 GLN H H 1 8.34726 . . . . . . . 7 Gln H . 19649 1 25 . 1 1 7 7 GLN C C 13 175.463 . . . . . . . 7 Gln C . 19649 1 26 . 1 1 7 7 GLN CA C 13 56.1424 . . . . . . . 7 Gln Ca . 19649 1 27 . 1 1 7 7 GLN CB C 13 29.6301 . . . . . . . 7 Gln Cb . 19649 1 28 . 1 1 7 7 GLN N N 15 122.965 . . . . . . . 7 Gln N . 19649 1 29 . 1 1 8 8 ASN H H 1 8.33369 . . . . . . . 8 Asn H . 19649 1 30 . 1 1 8 8 ASN C C 13 175.284 . . . . . . . 8 Asn C . 19649 1 31 . 1 1 8 8 ASN CA C 13 53.4135 . . . . . . . 8 Asn Ca . 19649 1 32 . 1 1 8 8 ASN CB C 13 38.8659 . . . . . . . 8 Asn Cb . 19649 1 33 . 1 1 8 8 ASN N N 15 120.287 . . . . . . . 8 Asn N . 19649 1 34 . 1 1 9 9 GLU H H 1 8.43864 . . . . . . . 9 Glu H . 19649 1 35 . 1 1 9 9 GLU C C 13 176.321 . . . . . . . 9 Glu C . 19649 1 36 . 1 1 9 9 GLU CA C 13 57.145 . . . . . . . 9 Glu Ca . 19649 1 37 . 1 1 9 9 GLU CB C 13 30.4085 . . . . . . . 9 Glu Cb . 19649 1 38 . 1 1 9 9 GLU N N 15 122.491 . . . . . . . 9 Glu N . 19649 1 39 . 1 1 10 10 LYS H H 1 8.35104 . . . . . . . 10 Lys H . 19649 1 40 . 1 1 10 10 LYS C C 13 176.466 . . . . . . . 10 Lys C . 19649 1 41 . 1 1 10 10 LYS CA C 13 56.4141 . . . . . . . 10 Lys Ca . 19649 1 42 . 1 1 10 10 LYS CB C 13 32.8943 . . . . . . . 10 Lys Cb . 19649 1 43 . 1 1 10 10 LYS N N 15 122.965 . . . . . . . 10 Lys N . 19649 1 44 . 1 1 11 11 LEU H H 1 8.22865 . . . . . . . 11 Leu H . 19649 1 45 . 1 1 11 11 LEU C C 13 177.802 . . . . . . . 11 Leu C . 19649 1 46 . 1 1 11 11 LEU CA C 13 55.1177 . . . . . . . 11 Leu Ca . 19649 1 47 . 1 1 11 11 LEU CB C 13 42.6068 . . . . . . . 11 Leu Cb . 19649 1 48 . 1 1 11 11 LEU N N 15 124.09 . . . . . . . 11 Leu N . 19649 1 49 . 1 1 12 12 GLY H H 1 8.38436 . . . . . . . 12 Gly H . 19649 1 50 . 1 1 12 12 GLY C C 13 174.155 . . . . . . . 12 Gly C . 19649 1 51 . 1 1 12 12 GLY CA C 13 45.3159 . . . . . . . 12 Gly Ca . 19649 1 52 . 1 1 12 12 GLY N N 15 110.533 . . . . . . . 12 Gly N . 19649 1 53 . 1 1 13 13 LEU H H 1 8.14238 . . . . . . . 13 Leu H . 19649 1 54 . 1 1 13 13 LEU C C 13 177.289 . . . . . . . 13 Leu C . 19649 1 55 . 1 1 13 13 LEU CA C 13 55.2884 . . . . . . . 13 Leu Ca . 19649 1 56 . 1 1 13 13 LEU CB C 13 42.5799 . . . . . . . 13 Leu Cb . 19649 1 57 . 1 1 13 13 LEU N N 15 122.434 . . . . . . . 13 Leu N . 19649 1 58 . 1 1 14 14 ASP H H 1 8.47643 . . . . . . . 14 Asp H . 19649 1 59 . 1 1 14 14 ASP C C 13 176.007 . . . . . . . 14 Asp C . 19649 1 60 . 1 1 14 14 ASP CA C 13 54.2142 . . . . . . . 14 Asp Ca . 19649 1 61 . 1 1 14 14 ASP CB C 13 41.3047 . . . . . . . 14 Asp Cb . 19649 1 62 . 1 1 14 14 ASP N N 15 121.878 . . . . . . . 14 Asp N . 19649 1 63 . 1 1 15 15 ALA H H 1 8.23138 . . . . . . . 15 Ala H . 19649 1 64 . 1 1 15 15 ALA C C 13 178.187 . . . . . . . 15 Ala C . 19649 1 65 . 1 1 15 15 ALA CA C 13 52.8689 . . . . . . . 15 Ala Ca . 19649 1 66 . 1 1 15 15 ALA CB C 13 19.3964 . . . . . . . 15 Ala Cb . 19649 1 67 . 1 1 15 15 ALA N N 15 125.288 . . . . . . . 15 Ala N . 19649 1 68 . 1 1 16 16 GLY H H 1 8.39447 . . . . . . . 16 Gly H . 19649 1 69 . 1 1 16 16 GLY C C 13 174.011 . . . . . . . 16 Gly C . 19649 1 70 . 1 1 16 16 GLY CA C 13 45.2917 . . . . . . . 16 Gly Ca . 19649 1 71 . 1 1 16 16 GLY N N 15 108.906 . . . . . . . 16 Gly N . 19649 1 72 . 1 1 17 17 ASP H H 1 8.19371 . . . . . . . 17 Asp H . 19649 1 73 . 1 1 17 17 ASP C C 13 176.297 . . . . . . . 17 Asp C . 19649 1 74 . 1 1 17 17 ASP CA C 13 54.3522 . . . . . . . 17 Asp Ca . 19649 1 75 . 1 1 17 17 ASP CB C 13 41.506 . . . . . . . 17 Asp Cb . 19649 1 76 . 1 1 17 17 ASP N N 15 121.297 . . . . . . . 17 Asp N . 19649 1 77 . 1 1 18 18 GLU H H 1 8.43874 . . . . . . . 18 Glu H . 19649 1 78 . 1 1 18 18 GLU C C 13 176.093 . . . . . . . 18 Glu C . 19649 1 79 . 1 1 18 18 GLU CA C 13 56.6951 . . . . . . . 18 Glu Ca . 19649 1 80 . 1 1 18 18 GLU CB C 13 30.2627 . . . . . . . 18 Glu Cb . 19649 1 81 . 1 1 18 18 GLU N N 15 121.646 . . . . . . . 18 Glu N . 19649 1 82 . 1 1 19 19 TYR H H 1 8.23396 . . . . . . . 19 Tyr H . 19649 1 83 . 1 1 19 19 TYR C C 13 175.702 . . . . . . . 19 Tyr C . 19649 1 84 . 1 1 19 19 TYR CA C 13 57.9223 . . . . . . . 19 Tyr Ca . 19649 1 85 . 1 1 19 19 TYR CB C 13 39.0307 . . . . . . . 19 Tyr Cb . 19649 1 86 . 1 1 19 19 TYR N N 15 121.962 . . . . . . . 19 Tyr N . 19649 1 87 . 1 1 20 20 GLU H H 1 8.25284 . . . . . . . 20 Glu H . 19649 1 88 . 1 1 20 20 GLU C C 13 175.765 . . . . . . . 20 Glu C . 19649 1 89 . 1 1 20 20 GLU CA C 13 56.1077 . . . . . . . 20 Glu Ca . 19649 1 90 . 1 1 20 20 GLU CB C 13 30.6788 . . . . . . . 20 Glu Cb . 19649 1 91 . 1 1 20 20 GLU N N 15 123.837 . . . . . . . 20 Glu N . 19649 1 92 . 1 1 21 21 ASP H H 1 8.36219 . . . . . . . 21 Asp H . 19649 1 93 . 1 1 21 21 ASP C C 13 176.31 . . . . . . . 21 Asp C . 19649 1 94 . 1 1 21 21 ASP CA C 13 54.345 . . . . . . . 21 Asp Ca . 19649 1 95 . 1 1 21 21 ASP CB C 13 41.3273 . . . . . . . 21 Asp Cb . 19649 1 96 . 1 1 21 21 ASP N N 15 122.981 . . . . . . . 21 Asp N . 19649 1 97 . 1 1 22 22 GLU H H 1 8.46258 . . . . . . . 22 Glu H . 19649 1 98 . 1 1 22 22 GLU C C 13 176.193 . . . . . . . 22 Glu C . 19649 1 99 . 1 1 22 22 GLU CA C 13 56.7662 . . . . . . . 22 Glu Ca . 19649 1 100 . 1 1 22 22 GLU CB C 13 30.4156 . . . . . . . 22 Glu Cb . 19649 1 101 . 1 1 22 22 GLU N N 15 122.791 . . . . . . . 22 Glu N . 19649 1 102 . 1 1 23 23 ASN H H 1 8.58097 . . . . . . . 23 Asn H . 19649 1 103 . 1 1 23 23 ASN C C 13 175.191 . . . . . . . 23 Asn C . 19649 1 104 . 1 1 23 23 ASN CA C 13 53.219 . . . . . . . 23 Asn Ca . 19649 1 105 . 1 1 23 23 ASN CB C 13 38.8265 . . . . . . . 23 Asn Cb . 19649 1 106 . 1 1 23 23 ASN N N 15 120.936 . . . . . . . 23 Asn N . 19649 1 107 . 1 1 24 24 LEU H H 1 8.18033 . . . . . . . 24 Leu H . 19649 1 108 . 1 1 24 24 LEU C C 13 177.156 . . . . . . . 24 Leu C . 19649 1 109 . 1 1 24 24 LEU CA C 13 55.3528 . . . . . . . 24 Leu Ca . 19649 1 110 . 1 1 24 24 LEU CB C 13 42.3374 . . . . . . . 24 Leu Cb . 19649 1 111 . 1 1 24 24 LEU N N 15 123.775 . . . . . . . 24 Leu N . 19649 1 112 . 1 1 25 25 TYR H H 1 8.31 . . . . . . . 25 Tyr H . 19649 1 113 . 1 1 25 25 TYR C C 13 175.825 . . . . . . . 25 Tyr C . 19649 1 114 . 1 1 25 25 TYR CA C 13 57.9693 . . . . . . . 25 Tyr Ca . 19649 1 115 . 1 1 25 25 TYR CB C 13 38.8364 . . . . . . . 25 Tyr Cb . 19649 1 116 . 1 1 25 25 TYR N N 15 121.627 . . . . . . . 25 Tyr N . 19649 1 117 . 1 1 26 26 GLU H H 1 8.28529 . . . . . . . 26 Glu H . 19649 1 118 . 1 1 26 26 GLU C C 13 176.632 . . . . . . . 26 Glu C . 19649 1 119 . 1 1 26 26 GLU CA C 13 56.5747 . . . . . . . 26 Glu Ca . 19649 1 120 . 1 1 26 26 GLU CB C 13 30.3595 . . . . . . . 26 Glu Cb . 19649 1 121 . 1 1 26 26 GLU N N 15 123.68 . . . . . . . 26 Glu N . 19649 1 122 . 1 1 27 27 GLY H H 1 8.16148 . . . . . . . 27 Gly H . 19649 1 123 . 1 1 27 27 GLY C C 13 173.812 . . . . . . . 27 Gly C . 19649 1 124 . 1 1 27 27 GLY CA C 13 45.3008 . . . . . . . 27 Gly Ca . 19649 1 125 . 1 1 27 27 GLY N N 15 110.787 . . . . . . . 27 Gly N . 19649 1 126 . 1 1 28 28 LEU H H 1 8.12059 . . . . . . . 28 Leu H . 19649 1 127 . 1 1 28 28 LEU C C 13 176.949 . . . . . . . 28 Leu C . 19649 1 128 . 1 1 28 28 LEU CA C 13 55.0601 . . . . . . . 28 Leu Ca . 19649 1 129 . 1 1 28 28 LEU CB C 13 42.8453 . . . . . . . 28 Leu Cb . 19649 1 130 . 1 1 28 28 LEU N N 15 122.371 . . . . . . . 28 Leu N . 19649 1 131 . 1 1 29 29 ASN H H 1 8.66603 . . . . . . . 29 Asn H . 19649 1 132 . 1 1 29 29 ASN C C 13 175.378 . . . . . . . 29 Asn C . 19649 1 133 . 1 1 29 29 ASN CA C 13 53.0032 . . . . . . . 29 Asn Ca . 19649 1 134 . 1 1 29 29 ASN CB C 13 38.7471 . . . . . . . 29 Asn Cb . 19649 1 135 . 1 1 29 29 ASN N N 15 121.503 . . . . . . . 29 Asn N . 19649 1 136 . 1 1 30 30 LEU H H 1 8.37338 . . . . . . . 30 Leu H . 19649 1 137 . 1 1 30 30 LEU C C 13 177.349 . . . . . . . 30 Leu C . 19649 1 138 . 1 1 30 30 LEU CA C 13 55.331 . . . . . . . 30 Leu Ca . 19649 1 139 . 1 1 30 30 LEU CB C 13 42.2475 . . . . . . . 30 Leu Cb . 19649 1 140 . 1 1 30 30 LEU N N 15 124.502 . . . . . . . 30 Leu N . 19649 1 141 . 1 1 31 31 ASP H H 1 8.35049 . . . . . . . 31 Asp H . 19649 1 142 . 1 1 31 31 ASP C C 13 176.139 . . . . . . . 31 Asp C . 19649 1 143 . 1 1 31 31 ASP CA C 13 54.5136 . . . . . . . 31 Asp Ca . 19649 1 144 . 1 1 31 31 ASP CB C 13 41.2387 . . . . . . . 31 Asp Cb . 19649 1 145 . 1 1 31 31 ASP N N 15 121.412 . . . . . . . 31 Asp N . 19649 1 146 . 1 1 32 32 ASP H H 1 8.21706 . . . . . . . 32 Asp H . 19649 1 147 . 1 1 32 32 ASP C C 13 176.374 . . . . . . . 32 Asp C . 19649 1 148 . 1 1 32 32 ASP CA C 13 54.3613 . . . . . . . 32 Asp Ca . 19649 1 149 . 1 1 32 32 ASP CB C 13 41.2784 . . . . . . . 32 Asp Cb . 19649 1 150 . 1 1 32 32 ASP N N 15 121.537 . . . . . . . 32 Asp N . 19649 1 151 . 1 1 33 33 CYS H H 1 8.31285 . . . . . . . 33 Cys H . 19649 1 152 . 1 1 33 33 CYS C C 13 174.866 . . . . . . . 33 Cys C . 19649 1 153 . 1 1 33 33 CYS CA C 13 58.637 . . . . . . . 33 Cys Ca . 19649 1 154 . 1 1 33 33 CYS CB C 13 28.2031 . . . . . . . 33 Cys Cb . 19649 1 155 . 1 1 33 33 CYS N N 15 120.554 . . . . . . . 33 Cys N . 19649 1 156 . 1 1 34 34 SER H H 1 8.48432 . . . . . . . 34 Ser H . 19649 1 157 . 1 1 34 34 SER C C 13 174.741 . . . . . . . 34 Ser C . 19649 1 158 . 1 1 34 34 SER CA C 13 58.9017 . . . . . . . 34 Ser Ca . 19649 1 159 . 1 1 34 34 SER CB C 13 63.8032 . . . . . . . 34 Ser Cb . 19649 1 160 . 1 1 34 34 SER N N 15 119.367 . . . . . . . 34 Ser N . 19649 1 161 . 1 1 35 35 MET H H 1 8.3808 . . . . . . . 35 Met H . 19649 1 162 . 1 1 35 35 MET C C 13 175.967 . . . . . . . 35 Met C . 19649 1 163 . 1 1 35 35 MET CA C 13 55.7407 . . . . . . . 35 Met Ca . 19649 1 164 . 1 1 35 35 MET CB C 13 32.7545 . . . . . . . 35 Met Cb . 19649 1 165 . 1 1 35 35 MET N N 15 123.146 . . . . . . . 35 Met N . 19649 1 166 . 1 1 36 36 TYR H H 1 8.19737 . . . . . . . 36 Tyr H . 19649 1 167 . 1 1 36 36 TYR C C 13 175.767 . . . . . . . 36 Tyr C . 19649 1 168 . 1 1 36 36 TYR CA C 13 57.9014 . . . . . . . 36 Tyr Ca . 19649 1 169 . 1 1 36 36 TYR CB C 13 39.07 . . . . . . . 36 Tyr Cb . 19649 1 170 . 1 1 36 36 TYR N N 15 121.832 . . . . . . . 36 Tyr N . 19649 1 171 . 1 1 37 37 GLU H H 1 8.35807 . . . . . . . 37 Glu H . 19649 1 172 . 1 1 37 37 GLU C C 13 175.838 . . . . . . . 37 Glu C . 19649 1 173 . 1 1 37 37 GLU CA C 13 56.3748 . . . . . . . 37 Glu Ca . 19649 1 174 . 1 1 37 37 GLU CB C 13 30.6693 . . . . . . . 37 Glu Cb . 19649 1 175 . 1 1 37 37 GLU N N 15 123.007 . . . . . . . 37 Glu N . 19649 1 176 . 1 1 38 38 ASP H H 1 8.44322 . . . . . . . 38 Asp H . 19649 1 177 . 1 1 38 38 ASP C C 13 176.694 . . . . . . . 38 Asp C . 19649 1 178 . 1 1 38 38 ASP CA C 13 54.1118 . . . . . . . 38 Asp Ca . 19649 1 179 . 1 1 38 38 ASP CB C 13 41.1698 . . . . . . . 38 Asp Cb . 19649 1 180 . 1 1 38 38 ASP N N 15 123.114 . . . . . . . 38 Asp N . 19649 1 181 . 1 1 39 39 ILE H H 1 8.15309 . . . . . . . 39 Ile H . 19649 1 182 . 1 1 39 39 ILE C C 13 176.679 . . . . . . . 39 Ile C . 19649 1 183 . 1 1 39 39 ILE CA C 13 61.654 . . . . . . . 39 Ile Ca . 19649 1 184 . 1 1 39 39 ILE CB C 13 38.7927 . . . . . . . 39 Ile Cb . 19649 1 185 . 1 1 39 39 ILE N N 15 122.38 . . . . . . . 39 Ile N . 19649 1 186 . 1 1 40 40 SER H H 1 8.42481 . . . . . . . 40 Ser H . 19649 1 187 . 1 1 40 40 SER C C 13 175.023 . . . . . . . 40 Ser C . 19649 1 188 . 1 1 40 40 SER CA C 13 59.0421 . . . . . . . 40 Ser Ca . 19649 1 189 . 1 1 40 40 SER CB C 13 63.69 . . . . . . . 40 Ser Cb . 19649 1 190 . 1 1 40 40 SER N N 15 119.985 . . . . . . . 40 Ser N . 19649 1 191 . 1 1 41 41 ARG H H 1 8.24566 . . . . . . . 41 Arg H . 19649 1 192 . 1 1 41 41 ARG C C 13 176.863 . . . . . . . 41 Arg C . 19649 1 193 . 1 1 41 41 ARG CA C 13 56.4636 . . . . . . . 41 Arg Ca . 19649 1 194 . 1 1 41 41 ARG CB C 13 30.7928 . . . . . . . 41 Arg Cb . 19649 1 195 . 1 1 41 41 ARG N N 15 123.924 . . . . . . . 41 Arg N . 19649 1 196 . 1 1 42 42 GLY H H 1 8.30332 . . . . . . . 42 Gly H . 19649 1 197 . 1 1 42 42 GLY C C 13 174.164 . . . . . . . 42 Gly C . 19649 1 198 . 1 1 42 42 GLY CA C 13 45.3076 . . . . . . . 42 Gly Ca . 19649 1 199 . 1 1 42 42 GLY N N 15 110.096 . . . . . . . 42 Gly N . 19649 1 200 . 1 1 43 43 LEU H H 1 8.15118 . . . . . . . 43 Leu H . 19649 1 201 . 1 1 43 43 LEU C C 13 177.682 . . . . . . . 43 Leu C . 19649 1 202 . 1 1 43 43 LEU CA C 13 55.2059 . . . . . . . 43 Leu Ca . 19649 1 203 . 1 1 43 43 LEU CB C 13 42.411 . . . . . . . 43 Leu Cb . 19649 1 204 . 1 1 43 43 LEU N N 15 122.434 . . . . . . . 43 Leu N . 19649 1 205 . 1 1 44 44 GLN H H 1 8.52949 . . . . . . . 44 Gln H . 19649 1 206 . 1 1 44 44 GLN C C 13 176.607 . . . . . . . 44 Gln C . 19649 1 207 . 1 1 44 44 GLN CA C 13 56.1176 . . . . . . . 44 Gln Ca . 19649 1 208 . 1 1 44 44 GLN CB C 13 29.6071 . . . . . . . 44 Gln Cb . 19649 1 209 . 1 1 44 44 GLN N N 15 122.324 . . . . . . . 44 Gln N . 19649 1 210 . 1 1 45 45 GLY H H 1 8.53161 . . . . . . . 45 Gly H . 19649 1 211 . 1 1 45 45 GLY C C 13 174.189 . . . . . . . 45 Gly C . 19649 1 212 . 1 1 45 45 GLY CA C 13 45.3518 . . . . . . . 45 Gly Ca . 19649 1 213 . 1 1 45 45 GLY N N 15 111.439 . . . . . . . 45 Gly N . 19649 1 214 . 1 1 46 46 THR H H 1 8.04223 . . . . . . . 46 Thr H . 19649 1 215 . 1 1 46 46 THR C C 13 174.548 . . . . . . . 46 Thr C . 19649 1 216 . 1 1 46 46 THR CA C 13 61.7095 . . . . . . . 46 Thr Ca . 19649 1 217 . 1 1 46 46 THR CB C 13 70.1785 . . . . . . . 46 Thr Cb . 19649 1 218 . 1 1 46 46 THR N N 15 114.156 . . . . . . . 46 Thr N . 19649 1 219 . 1 1 47 47 TYR H H 1 8.34263 . . . . . . . 47 Tyr H . 19649 1 220 . 1 1 47 47 TYR C C 13 175.718 . . . . . . . 47 Tyr C . 19649 1 221 . 1 1 47 47 TYR CA C 13 57.9131 . . . . . . . 47 Tyr Ca . 19649 1 222 . 1 1 47 47 TYR CB C 13 38.9559 . . . . . . . 47 Tyr Cb . 19649 1 223 . 1 1 47 47 TYR N N 15 123.195 . . . . . . . 47 Tyr N . 19649 1 224 . 1 1 48 48 GLN H H 1 8.37677 . . . . . . . 48 Gln H . 19649 1 225 . 1 1 48 48 GLN C C 13 175.358 . . . . . . . 48 Gln C . 19649 1 226 . 1 1 48 48 GLN CA C 13 55.7488 . . . . . . . 48 Gln Ca . 19649 1 227 . 1 1 48 48 GLN CB C 13 29.8599 . . . . . . . 48 Gln Cb . 19649 1 228 . 1 1 48 48 GLN N N 15 122.586 . . . . . . . 48 Gln N . 19649 1 229 . 1 1 49 49 ASP H H 1 8.44906 . . . . . . . 49 Asp H . 19649 1 230 . 1 1 49 49 ASP C C 13 176.568 . . . . . . . 49 Asp C . 19649 1 231 . 1 1 49 49 ASP CA C 13 54.1986 . . . . . . . 49 Asp Ca . 19649 1 232 . 1 1 49 49 ASP CB C 13 41.3261 . . . . . . . 49 Asp Cb . 19649 1 233 . 1 1 49 49 ASP N N 15 123.385 . . . . . . . 49 Asp N . 19649 1 234 . 1 1 50 50 VAL H H 1 8.21623 . . . . . . . 50 Val H . 19649 1 235 . 1 1 50 50 VAL C C 13 176.9 . . . . . . . 50 Val C . 19649 1 236 . 1 1 50 50 VAL CA C 13 62.6892 . . . . . . . 50 Val Ca . 19649 1 237 . 1 1 50 50 VAL CB C 13 32.5802 . . . . . . . 50 Val Cb . 19649 1 238 . 1 1 50 50 VAL N N 15 121.343 . . . . . . . 50 Val N . 19649 1 239 . 1 1 51 51 GLY H H 1 8.47217 . . . . . . . 51 Gly H . 19649 1 240 . 1 1 51 51 GLY C C 13 174.308 . . . . . . . 51 Gly C . 19649 1 241 . 1 1 51 51 GLY CA C 13 45.3952 . . . . . . . 51 Gly Ca . 19649 1 242 . 1 1 51 51 GLY N N 15 112.59 . . . . . . . 51 Gly N . 19649 1 243 . 1 1 52 52 SER H H 1 8.15435 . . . . . . . 52 Ser H . 19649 1 244 . 1 1 52 52 SER C C 13 174.636 . . . . . . . 52 Ser C . 19649 1 245 . 1 1 52 52 SER CA C 13 58.4057 . . . . . . . 52 Ser Ca . 19649 1 246 . 1 1 52 52 SER CB C 13 64.0248 . . . . . . . 52 Ser Cb . 19649 1 247 . 1 1 52 52 SER N N 15 116.444 . . . . . . . 52 Ser N . 19649 1 248 . 1 1 53 53 LEU H H 1 8.26588 . . . . . . . 53 Leu H . 19649 1 249 . 1 1 53 53 LEU C C 13 177.022 . . . . . . . 53 Leu C . 19649 1 250 . 1 1 53 53 LEU CA C 13 55.2647 . . . . . . . 53 Leu Ca . 19649 1 251 . 1 1 53 53 LEU CB C 13 42.6206 . . . . . . . 53 Leu Cb . 19649 1 252 . 1 1 53 53 LEU N N 15 124.702 . . . . . . . 53 Leu N . 19649 1 253 . 1 1 54 54 ASN H H 1 8.53526 . . . . . . . 54 Asn H . 19649 1 254 . 1 1 54 54 ASN C C 13 175.305 . . . . . . . 54 Asn C . 19649 1 255 . 1 1 54 54 ASN CA C 13 53.0782 . . . . . . . 54 Asn Ca . 19649 1 256 . 1 1 54 54 ASN CB C 13 38.8257 . . . . . . . 54 Asn Cb . 19649 1 257 . 1 1 54 54 ASN N N 15 121.231 . . . . . . . 54 Asn N . 19649 1 258 . 1 1 55 55 ILE H H 1 8.16702 . . . . . . . 55 Ile H . 19649 1 259 . 1 1 55 55 ILE C C 13 176.652 . . . . . . . 55 Ile C . 19649 1 260 . 1 1 55 55 ILE CA C 13 61.6352 . . . . . . . 55 Ile Ca . 19649 1 261 . 1 1 55 55 ILE CB C 13 38.8102 . . . . . . . 55 Ile Cb . 19649 1 262 . 1 1 55 55 ILE N N 15 122.208 . . . . . . . 55 Ile N . 19649 1 263 . 1 1 56 56 GLY H H 1 8.40628 . . . . . . . 56 Gly H . 19649 1 264 . 1 1 56 56 GLY C C 13 173.799 . . . . . . . 56 Gly C . 19649 1 265 . 1 1 56 56 GLY CA C 13 45.147 . . . . . . . 56 Gly Ca . 19649 1 266 . 1 1 56 56 GLY N N 15 113.016 . . . . . . . 56 Gly N . 19649 1 267 . 1 1 57 57 ASP H H 1 8.20963 . . . . . . . 57 Asp H . 19649 1 268 . 1 1 57 57 ASP C C 13 176.425 . . . . . . . 57 Asp C . 19649 1 269 . 1 1 57 57 ASP CA C 13 54.3339 . . . . . . . 57 Asp Ca . 19649 1 270 . 1 1 57 57 ASP CB C 13 41.3706 . . . . . . . 57 Asp Cb . 19649 1 271 . 1 1 57 57 ASP N N 15 121.666 . . . . . . . 57 Asp N . 19649 1 272 . 1 1 58 58 VAL H H 1 8.10257 . . . . . . . 58 Val H . 19649 1 273 . 1 1 58 58 VAL C C 13 176.078 . . . . . . . 58 Val C . 19649 1 274 . 1 1 58 58 VAL CA C 13 62.4364 . . . . . . . 58 Val Ca . 19649 1 275 . 1 1 58 58 VAL CB C 13 32.9348 . . . . . . . 58 Val Cb . 19649 1 276 . 1 1 58 58 VAL N N 15 121.36 . . . . . . . 58 Val N . 19649 1 277 . 1 1 59 59 GLN H H 1 8.51887 . . . . . . . 59 Gln H . 19649 1 278 . 1 1 59 59 GLN C C 13 175.811 . . . . . . . 59 Gln C . 19649 1 279 . 1 1 59 59 GLN CA C 13 55.5925 . . . . . . . 59 Gln Ca . 19649 1 280 . 1 1 59 59 GLN CB C 13 29.4473 . . . . . . . 59 Gln Cb . 19649 1 281 . 1 1 59 59 GLN N N 15 125.417 . . . . . . . 59 Gln N . 19649 1 282 . 1 1 60 60 LEU H H 1 8.33773 . . . . . . . 60 Leu H . 19649 1 283 . 1 1 60 60 LEU C C 13 177.358 . . . . . . . 60 Leu C . 19649 1 284 . 1 1 60 60 LEU CA C 13 55.0711 . . . . . . . 60 Leu Ca . 19649 1 285 . 1 1 60 60 LEU CB C 13 42.6229 . . . . . . . 60 Leu Cb . 19649 1 286 . 1 1 60 60 LEU N N 15 125.367 . . . . . . . 60 Leu N . 19649 1 287 . 1 1 61 61 GLU H H 1 8.46014 . . . . . . . 61 Glu H . 19649 1 288 . 1 1 61 61 GLU C C 13 176.114 . . . . . . . 61 Glu C . 19649 1 289 . 1 1 61 61 GLU CA C 13 56.3988 . . . . . . . 61 Glu Ca . 19649 1 290 . 1 1 61 61 GLU CB C 13 30.3881 . . . . . . . 61 Glu Cb . 19649 1 291 . 1 1 61 61 GLU N N 15 123.06 . . . . . . . 61 Glu N . 19649 1 292 . 1 1 62 62 LYS H H 1 8.41343 . . . . . . . 62 Lys H . 19649 1 293 . 1 1 62 62 LYS N N 15 125.186 . . . . . . . 62 Lys N . 19649 1 stop_ save_