################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 27905 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27905 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 1 $CCPN . . 27905 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.Ambiguity_set_ID _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 SER H H 1 8.37072 . . . . . . . . 2 SER H . 27905 1 2 . 1 1 2 2 SER N N 15 119.55836 . . . . . . . . 2 SER N . 27905 1 3 . 1 1 4 4 LYS H H 1 8.34217 . . . . . . . . 4 LYS H . 27905 1 4 . 1 1 4 4 LYS N N 15 120.97348 . . . . . . . . 4 LYS N . 27905 1 5 . 1 1 5 5 GLN H H 1 8.36756 . . . . . . . . 5 GLN H . 27905 1 6 . 1 1 5 5 GLN N N 15 122.12881 . . . . . . . . 5 GLN N . 27905 1 7 . 1 1 6 6 GLU H H 1 8.48641 . . . . . . . . 6 GLU H . 27905 1 8 . 1 1 6 6 GLU N N 15 121.72022 . . . . . . . . 6 GLU N . 27905 1 9 . 1 1 7 7 GLU H H 1 8.30438 . . . . . . . . 7 GLU H . 27905 1 10 . 1 1 7 7 GLU N N 15 121.14055 . . . . . . . . 7 GLU N . 27905 1 11 . 1 1 8 8 TYR H H 1 8.16862 . . . . . . . . 8 TYR H . 27905 1 12 . 1 1 8 8 TYR N N 15 121.49236 . . . . . . . . 8 TYR N . 27905 1 13 . 1 1 9 9 GLU H H 1 8.27276 . . . . . . . . 9 GLU H . 27905 1 14 . 1 1 9 9 GLU N N 15 121.68912 . . . . . . . . 9 GLU N . 27905 1 15 . 1 1 10 10 VAL H H 1 8.32418 . . . . . . . . 10 VAL H . 27905 1 16 . 1 1 10 10 VAL N N 15 115.8471 . . . . . . . . 10 VAL N . 27905 1 17 . 1 1 11 11 GLU H H 1 8.21686 . . . . . . . . 11 GLU H . 27905 1 18 . 1 1 11 11 GLU N N 15 120.16151 . . . . . . . . 11 GLU N . 27905 1 19 . 1 1 12 12 ARG H H 1 8.49136 . . . . . . . . 12 ARG H . 27905 1 20 . 1 1 12 12 ARG N N 15 117.73523 . . . . . . . . 12 ARG N . 27905 1 21 . 1 1 13 13 ILE H H 1 8.14566 . . . . . . . . 13 ILE H . 27905 1 22 . 1 1 13 13 ILE N N 15 122.94639 . . . . . . . . 13 ILE N . 27905 1 23 . 1 1 14 14 VAL H H 1 8.37288 . . . . . . . . 14 VAL H . 27905 1 24 . 1 1 14 14 VAL N N 15 116.04643 . . . . . . . . 14 VAL N . 27905 1 25 . 1 1 15 15 ASP H H 1 7.16785 . . . . . . . . 15 ASP H . 27905 1 26 . 1 1 15 15 ASP N N 15 117.70345 . . . . . . . . 15 ASP N . 27905 1 27 . 1 1 16 16 GLU H H 1 9.69398 . . . . . . . . 16 GLU H . 27905 1 28 . 1 1 16 16 GLU N N 15 117.30896 . . . . . . . . 16 GLU N . 27905 1 29 . 1 1 17 17 LYS H H 1 9.06641 . . . . . . . . 17 LYS H . 27905 1 30 . 1 1 17 17 LYS N N 15 121.893 . . . . . . . . 17 LYS N . 27905 1 31 . 1 1 18 18 LEU H H 1 9.05421 . . . . . . . . 18 LEU H . 27905 1 32 . 1 1 18 18 LEU N N 15 125.52495 . . . . . . . . 18 LEU N . 27905 1 33 . 1 1 19 19 ASP H H 1 9.11121 . . . . . . . . 19 ASP H . 27905 1 34 . 1 1 19 19 ASP N N 15 121.28978 . . . . . . . . 19 ASP N . 27905 1 35 . 1 1 20 20 ARG H H 1 8.53163 . . . . . . . . 20 ARG H . 27905 1 36 . 1 1 20 20 ARG N N 15 118.04896 . . . . . . . . 20 ARG N . 27905 1 37 . 1 1 21 21 ASN H H 1 8.31654 . . . . . . . . 21 ASN H . 27905 1 38 . 1 1 21 21 ASN N N 15 116.73728 . . . . . . . . 21 ASN N . 27905 1 39 . 1 1 22 22 GLY H H 1 8.16105 . . . . . . . . 22 GLY H . 27905 1 40 . 1 1 22 22 GLY N N 15 109.02264 . . . . . . . . 22 GLY N . 27905 1 41 . 1 1 23 23 ALA H H 1 8.24516 . . . . . . . . 23 ALA H . 27905 1 42 . 1 1 23 23 ALA N N 15 123.34837 . . . . . . . . 23 ALA N . 27905 1 43 . 1 1 24 24 VAL H H 1 8.50491 . . . . . . . . 24 VAL H . 27905 1 44 . 1 1 24 24 VAL N N 15 121.14421 . . . . . . . . 24 VAL N . 27905 1 45 . 1 1 25 25 LYS H H 1 9.28612 . . . . . . . . 25 LYS H . 27905 1 46 . 1 1 25 25 LYS N N 15 127.22082 . . . . . . . . 25 LYS N . 27905 1 47 . 1 1 26 26 LEU H H 1 7.38207 . . . . . . . . 26 LEU H . 27905 1 48 . 1 1 26 26 LEU N N 15 116.03709 . . . . . . . . 26 LEU N . 27905 1 49 . 1 1 27 27 TYR H H 1 9.442 . . . . . . . . 27 TYR H . 27905 1 50 . 1 1 27 27 TYR N N 15 119.00438 . . . . . . . . 27 TYR N . 27905 1 51 . 1 1 28 28 ARG H H 1 8.0097 . . . . . . . . 28 ARG H . 27905 1 52 . 1 1 28 28 ARG N N 15 124.559 . . . . . . . . 28 ARG N . 27905 1 53 . 1 1 29 29 ILE H H 1 8.41515 . . . . . . . . 29 ILE H . 27905 1 54 . 1 1 29 29 ILE N N 15 126.37588 . . . . . . . . 29 ILE N . 27905 1 55 . 1 1 30 30 ARG H H 1 8.08905 . . . . . . . . 30 ARG H . 27905 1 56 . 1 1 30 30 ARG N N 15 124.02158 . . . . . . . . 30 ARG N . 27905 1 57 . 1 1 31 31 TRP H H 1 8.30887 . . . . . . . . 31 TRP H . 27905 1 58 . 1 1 31 31 TRP N N 15 122.39039 . . . . . . . . 31 TRP N . 27905 1 59 . 1 1 32 32 LEU H H 1 8.29194 . . . . . . . . 32 LEU H . 27905 1 60 . 1 1 32 32 LEU N N 15 125.0606 . . . . . . . . 32 LEU N . 27905 1 61 . 1 1 33 33 ASN H H 1 8.78355 . . . . . . . . 33 ASN H . 27905 1 62 . 1 1 33 33 ASN N N 15 116.75324 . . . . . . . . 33 ASN N . 27905 1 63 . 1 1 34 34 TYR H H 1 8.3165 . . . . . . . . 34 TYR H . 27905 1 64 . 1 1 34 34 TYR N N 15 118.60231 . . . . . . . . 34 TYR N . 27905 1 65 . 1 1 35 35 SER H H 1 8.15377 . . . . . . . . 35 SER H . 27905 1 66 . 1 1 35 35 SER N N 15 115.712 . . . . . . . . 35 SER N . 27905 1 67 . 1 1 36 36 SER H H 1 8.21223 . . . . . . . . 36 SER H . 27905 1 68 . 1 1 36 36 SER N N 15 116.81635 . . . . . . . . 36 SER N . 27905 1 69 . 1 1 37 37 ARG H H 1 7.53513 . . . . . . . . 37 ARG H . 27905 1 70 . 1 1 37 37 ARG N N 15 117.07199 . . . . . . . . 37 ARG N . 27905 1 71 . 1 1 38 38 SER H H 1 8.25544 . . . . . . . . 38 SER H . 27905 1 72 . 1 1 38 38 SER N N 15 115.712 . . . . . . . . 38 SER N . 27905 1 73 . 1 1 39 39 ASP H H 1 8.39467 . . . . . . . . 39 ASP H . 27905 1 74 . 1 1 39 39 ASP N N 15 122.24059 . . . . . . . . 39 ASP N . 27905 1 75 . 1 1 40 40 THR H H 1 8.25153 . . . . . . . . 40 THR H . 27905 1 76 . 1 1 40 40 THR N N 15 110.88851 . . . . . . . . 40 THR N . 27905 1 77 . 1 1 41 41 TRP H H 1 8.7632 . . . . . . . . 41 TRP H . 27905 1 78 . 1 1 41 41 TRP N N 15 120.88148 . . . . . . . . 41 TRP N . 27905 1 79 . 1 1 42 42 GLU H H 1 9.66206 . . . . . . . . 42 GLU H . 27905 1 80 . 1 1 42 42 GLU N N 15 122.94627 . . . . . . . . 42 GLU N . 27905 1 81 . 1 1 45 45 GLU H H 1 9.83628 . . . . . . . . 45 GLU H . 27905 1 82 . 1 1 45 45 GLU N N 15 118.49605 . . . . . . . . 45 GLU N . 27905 1 83 . 1 1 46 46 ASN H H 1 8.03367 . . . . . . . . 46 ASN H . 27905 1 84 . 1 1 46 46 ASN N N 15 119.69384 . . . . . . . . 46 ASN N . 27905 1 85 . 1 1 47 47 LEU H H 1 7.84111 . . . . . . . . 47 LEU H . 27905 1 86 . 1 1 47 47 LEU N N 15 121.5235 . . . . . . . . 47 LEU N . 27905 1 87 . 1 1 48 48 SER H H 1 7.59049 . . . . . . . . 48 SER H . 27905 1 88 . 1 1 48 48 SER N N 15 116.16858 . . . . . . . . 48 SER N . 27905 1 89 . 1 1 49 49 GLY H H 1 8.95353 . . . . . . . . 49 GLY H . 27905 1 90 . 1 1 49 49 GLY N N 15 111.2183 . . . . . . . . 49 GLY N . 27905 1 91 . 1 1 50 50 CYS H H 1 8.08591 . . . . . . . . 50 CYS H . 27905 1 92 . 1 1 50 50 CYS N N 15 120.39162 . . . . . . . . 50 CYS N . 27905 1 93 . 1 1 51 51 SER H H 1 8.05459 . . . . . . . . 51 SER H . 27905 1 94 . 1 1 51 51 SER N N 15 116.83005 . . . . . . . . 51 SER N . 27905 1 95 . 1 1 52 52 ALA H H 1 8.824 . . . . . . . . 52 ALA H . 27905 1 96 . 1 1 52 52 ALA N N 15 125.42761 . . . . . . . . 52 ALA N . 27905 1 97 . 1 1 53 53 VAL H H 1 7.6421 . . . . . . . . 53 VAL H . 27905 1 98 . 1 1 53 53 VAL N N 15 120.00166 . . . . . . . . 53 VAL N . 27905 1 99 . 1 1 54 54 LEU H H 1 7.98425 . . . . . . . . 54 LEU H . 27905 1 100 . 1 1 54 54 LEU N N 15 122.53035 . . . . . . . . 54 LEU N . 27905 1 101 . 1 1 55 55 ALA H H 1 8.19758 . . . . . . . . 55 ALA H . 27905 1 102 . 1 1 55 55 ALA N N 15 121.85098 . . . . . . . . 55 ALA N . 27905 1 103 . 1 1 56 56 GLU H H 1 8.07147 . . . . . . . . 56 GLU H . 27905 1 104 . 1 1 56 56 GLU N N 15 119.34292 . . . . . . . . 56 GLU N . 27905 1 105 . 1 1 57 57 TRP H H 1 7.69003 . . . . . . . . 57 TRP H . 27905 1 106 . 1 1 57 57 TRP N N 15 120.97728 . . . . . . . . 57 TRP N . 27905 1 107 . 1 1 58 58 LYS H H 1 8.11312 . . . . . . . . 58 LYS H . 27905 1 108 . 1 1 58 58 LYS N N 15 117.4478 . . . . . . . . 58 LYS N . 27905 1 109 . 1 1 59 59 ARG H H 1 7.73548 . . . . . . . . 59 ARG H . 27905 1 110 . 1 1 59 59 ARG N N 15 117.9861 . . . . . . . . 59 ARG N . 27905 1 111 . 1 1 60 60 ARG H H 1 8.03026 . . . . . . . . 60 ARG H . 27905 1 112 . 1 1 60 60 ARG N N 15 121.5447 . . . . . . . . 60 ARG N . 27905 1 113 . 1 1 61 61 LYS H H 1 8.08811 . . . . . . . . 61 LYS H . 27905 1 114 . 1 1 61 61 LYS N N 15 118.99519 . . . . . . . . 61 LYS N . 27905 1 115 . 1 1 62 62 ARG H H 1 7.5953 . . . . . . . . 62 ARG H . 27905 1 116 . 1 1 62 62 ARG N N 15 119.21074 . . . . . . . . 62 ARG N . 27905 1 117 . 1 1 63 63 ARG H H 1 7.91274 . . . . . . . . 63 ARG H . 27905 1 118 . 1 1 63 63 ARG N N 15 120.16343 . . . . . . . . 63 ARG N . 27905 1 119 . 1 1 64 64 LEU H H 1 8.03754 . . . . . . . . 64 LEU H . 27905 1 120 . 1 1 64 64 LEU N N 15 122.53801 . . . . . . . . 64 LEU N . 27905 1 121 . 1 1 65 65 LYS H H 1 8.02593 . . . . . . . . 65 LYS H . 27905 1 122 . 1 1 65 65 LYS N N 15 120.47152 . . . . . . . . 65 LYS N . 27905 1 123 . 1 1 66 66 GLY H H 1 8.31601 . . . . . . . . 66 GLY H . 27905 1 124 . 1 1 66 66 GLY N N 15 109.78689 . . . . . . . . 66 GLY N . 27905 1 125 . 1 1 67 67 SER H H 1 8.24434 . . . . . . . . 67 SER H . 27905 1 126 . 1 1 67 67 SER N N 15 115.71346 . . . . . . . . 67 SER N . 27905 1 127 . 1 1 68 68 ASN H H 1 8.55828 . . . . . . . . 68 ASN H . 27905 1 128 . 1 1 68 68 ASN N N 15 120.92771 . . . . . . . . 68 ASN N . 27905 1 129 . 1 1 69 69 SER H H 1 7.89987 . . . . . . . . 69 SER H . 27905 1 130 . 1 1 69 69 SER N N 15 120.45348 . . . . . . . . 69 SER N . 27905 1 131 . 1 1 70 70 ASP H H 1 8.43324 . . . . . . . . 70 ASP H . 27905 1 132 . 1 1 70 70 ASP N N 15 122.53124 . . . . . . . . 70 ASP N . 27905 1 133 . 1 1 71 71 SER H H 1 8.15687 . . . . . . . . 71 SER H . 27905 1 134 . 1 1 71 71 SER N N 15 116.97996 . . . . . . . . 71 SER N . 27905 1 135 . 1 1 72 72 ASP H H 1 8.50751 . . . . . . . . 72 ASP H . 27905 1 136 . 1 1 72 72 ASP N N 15 122.12534 . . . . . . . . 72 ASP N . 27905 1 137 . 1 1 73 73 SER H H 1 8.14934 . . . . . . . . 73 SER H . 27905 1 138 . 1 1 73 73 SER N N 15 116.99942 . . . . . . . . 73 SER N . 27905 1 139 . 1 1 77 77 ALA H H 1 8.4443 . . . . . . . . 77 ALA H . 27905 1 140 . 1 1 77 77 ALA N N 15 124.6146 . . . . . . . . 77 ALA N . 27905 1 141 . 1 1 78 78 SER H H 1 8.21025 . . . . . . . . 78 SER H . 27905 1 142 . 1 1 78 78 SER N N 15 113.65432 . . . . . . . . 78 SER N . 27905 1 143 . 1 1 79 79 ASN H H 1 8.42346 . . . . . . . . 79 ASN H . 27905 1 144 . 1 1 79 79 ASN N N 15 119.50613 . . . . . . . . 79 ASN N . 27905 1 145 . 1 1 83 83 ASN H H 1 8.12135 . . . . . . . . 83 ASN H . 27905 1 146 . 1 1 83 83 ASN N N 15 118.09931 . . . . . . . . 83 ASN N . 27905 1 147 . 1 1 84 84 SER H H 1 8.44407 . . . . . . . . 84 SER H . 27905 1 148 . 1 1 84 84 SER N N 15 118.52626 . . . . . . . . 84 SER N . 27905 1 149 . 1 1 85 85 ARG H H 1 8.40417 . . . . . . . . 85 ARG H . 27905 1 150 . 1 1 85 85 ARG N N 15 122.84425 . . . . . . . . 85 ARG N . 27905 1 151 . 1 1 86 86 GLN H H 1 8.55259 . . . . . . . . 86 GLN H . 27905 1 152 . 1 1 86 86 GLN N N 15 120.94666 . . . . . . . . 86 GLN N . 27905 1 153 . 1 1 87 87 LYS H H 1 8.45734 . . . . . . . . 87 LYS H . 27905 1 154 . 1 1 87 87 LYS N N 15 123.50146 . . . . . . . . 87 LYS N . 27905 1 155 . 1 1 89 89 GLN H H 1 8.33648 . . . . . . . . 89 GLN H . 27905 1 156 . 1 1 89 89 GLN N N 15 120.50244 . . . . . . . . 89 GLN N . 27905 1 157 . 1 1 91 91 GLN H H 1 8.28018 . . . . . . . . 91 GLN H . 27905 1 158 . 1 1 91 91 GLN N N 15 121.05569 . . . . . . . . 91 GLN N . 27905 1 159 . 1 1 92 92 THR H H 1 8.10611 . . . . . . . . 92 THR H . 27905 1 160 . 1 1 92 92 THR N N 15 115.69282 . . . . . . . . 92 THR N . 27905 1 161 . 1 1 93 93 SER H H 1 8.41903 . . . . . . . . 93 SER H . 27905 1 162 . 1 1 93 93 SER N N 15 116.35674 . . . . . . . . 93 SER N . 27905 1 163 . 1 1 94 94 LYS H H 1 8.39772 . . . . . . . . 94 LYS H . 27905 1 164 . 1 1 94 94 LYS N N 15 125.47282 . . . . . . . . 94 LYS N . 27905 1 165 . 1 1 95 95 SER H H 1 8.32974 . . . . . . . . 95 SER H . 27905 1 166 . 1 1 95 95 SER N N 15 117.43735 . . . . . . . . 95 SER N . 27905 1 167 . 1 1 96 96 VAL H H 1 8.17117 . . . . . . . . 96 VAL H . 27905 1 168 . 1 1 96 96 VAL N N 15 116.95224 . . . . . . . . 96 VAL N . 27905 1 169 . 1 1 98 98 ARG H H 1 8.47853 . . . . . . . . 98 ARG H . 27905 1 170 . 1 1 98 98 ARG N N 15 122.20243 . . . . . . . . 98 ARG N . 27905 1 171 . 1 1 99 99 SER H H 1 8.27999 . . . . . . . . 99 SER H . 27905 1 172 . 1 1 99 99 SER N N 15 115.69821 . . . . . . . . 99 SER N . 27905 1 173 . 1 1 100 100 GLN H H 1 8.55412 . . . . . . . . 100 GLN H . 27905 1 174 . 1 1 100 100 GLN N N 15 120.36001 . . . . . . . . 100 GLN N . 27905 1 175 . 1 1 101 101 ARG H H 1 8.55812 . . . . . . . . 101 ARG H . 27905 1 176 . 1 1 101 101 ARG N N 15 122.2052 . . . . . . . . 101 ARG N . 27905 1 177 . 1 1 102 102 PHE H H 1 8.29134 . . . . . . . . 102 PHE H . 27905 1 178 . 1 1 102 102 PHE N N 15 116.26841 . . . . . . . . 102 PHE N . 27905 1 179 . 1 1 103 103 SER H H 1 8.05247 . . . . . . . . 103 SER H . 27905 1 180 . 1 1 103 103 SER N N 15 118.1305 . . . . . . . . 103 SER N . 27905 1 181 . 1 1 104 104 ARG H H 1 8.3793 . . . . . . . . 104 ARG H . 27905 1 182 . 1 1 104 104 ARG N N 15 122.80624 . . . . . . . . 104 ARG N . 27905 1 183 . 1 1 105 105 GLU H H 1 8.50143 . . . . . . . . 105 GLU H . 27905 1 184 . 1 1 105 105 GLU N N 15 121.79009 . . . . . . . . 105 GLU N . 27905 1 185 . 1 1 106 106 LEU H H 1 8.23692 . . . . . . . . 106 LEU H . 27905 1 186 . 1 1 106 106 LEU N N 15 122.15381 . . . . . . . . 106 LEU N . 27905 1 187 . 1 1 107 107 ASN H H 1 8.41809 . . . . . . . . 107 ASN H . 27905 1 188 . 1 1 107 107 ASN N N 15 116.46771 . . . . . . . . 107 ASN N . 27905 1 189 . 1 1 108 108 VAL H H 1 8.25538 . . . . . . . . 108 VAL H . 27905 1 190 . 1 1 108 108 VAL N N 15 116.33636 . . . . . . . . 108 VAL N . 27905 1 191 . 1 1 109 109 LYS H H 1 8.34879 . . . . . . . . 109 LYS H . 27905 1 192 . 1 1 109 109 LYS N N 15 123.08355 . . . . . . . . 109 LYS N . 27905 1 193 . 1 1 110 110 LYS H H 1 8.42867 . . . . . . . . 110 LYS H . 27905 1 194 . 1 1 110 110 LYS N N 15 123.50093 . . . . . . . . 110 LYS N . 27905 1 195 . 1 1 111 111 GLU H H 1 8.25034 . . . . . . . . 111 GLU H . 27905 1 196 . 1 1 111 111 GLU N N 15 121.44952 . . . . . . . . 111 GLU N . 27905 1 197 . 1 1 112 112 ASN H H 1 7.83716 . . . . . . . . 112 ASN H . 27905 1 198 . 1 1 112 112 ASN N N 15 119.38129 . . . . . . . . 112 ASN N . 27905 1 199 . 1 1 113 113 LYS H H 1 8.3296 . . . . . . . . 113 LYS H . 27905 1 200 . 1 1 113 113 LYS N N 15 123.26017 . . . . . . . . 113 LYS N . 27905 1 201 . 1 1 114 114 LYS H H 1 8.71476 . . . . . . . . 114 LYS H . 27905 1 202 . 1 1 114 114 LYS N N 15 122.43459 . . . . . . . . 114 LYS N . 27905 1 203 . 1 1 115 115 VAL H H 1 9.00039 . . . . . . . . 115 VAL H . 27905 1 204 . 1 1 115 115 VAL N N 15 119.15577 . . . . . . . . 115 VAL N . 27905 1 205 . 1 1 116 116 PHE H H 1 8.4246 . . . . . . . . 116 PHE H . 27905 1 206 . 1 1 116 116 PHE N N 15 125.79199 . . . . . . . . 116 PHE N . 27905 1 207 . 1 1 117 117 SER H H 1 8.05377 . . . . . . . . 117 SER H . 27905 1 208 . 1 1 117 117 SER N N 15 118.1409 . . . . . . . . 117 SER N . 27905 1 209 . 1 1 118 118 SER H H 1 8.44243 . . . . . . . . 118 SER H . 27905 1 210 . 1 1 118 118 SER N N 15 117.89077 . . . . . . . . 118 SER N . 27905 1 211 . 1 1 119 119 GLN H H 1 8.39098 . . . . . . . . 119 GLN H . 27905 1 212 . 1 1 119 119 GLN N N 15 119.97083 . . . . . . . . 119 GLN N . 27905 1 213 . 1 1 120 120 THR H H 1 8.19759 . . . . . . . . 120 THR H . 27905 1 214 . 1 1 120 120 THR N N 15 115.89411 . . . . . . . . 120 THR N . 27905 1 215 . 1 1 121 121 THR H H 1 8.23433 . . . . . . . . 121 THR H . 27905 1 216 . 1 1 121 121 THR N N 15 115.30531 . . . . . . . . 121 THR N . 27905 1 217 . 1 1 122 122 LYS H H 1 8.30839 . . . . . . . . 122 LYS H . 27905 1 218 . 1 1 122 122 LYS N N 15 125.91501 . . . . . . . . 122 LYS N . 27905 1 219 . 1 1 123 123 ARG H H 1 8.46258 . . . . . . . . 123 ARG H . 27905 1 220 . 1 1 123 123 ARG N N 15 122.79506 . . . . . . . . 123 ARG N . 27905 1 221 . 1 1 124 124 GLN H H 1 8.62414 . . . . . . . . 124 GLN H . 27905 1 222 . 1 1 124 124 GLN N N 15 121.27644 . . . . . . . . 124 GLN N . 27905 1 223 . 1 1 125 125 SER H H 1 8.38776 . . . . . . . . 125 SER H . 27905 1 224 . 1 1 125 125 SER N N 15 118.231 . . . . . . . . 125 SER N . 27905 1 225 . 1 1 126 126 ARG H H 1 8.4114 . . . . . . . . 126 ARG H . 27905 1 226 . 1 1 126 126 ARG N N 15 123.08067 . . . . . . . . 126 ARG N . 27905 1 227 . 1 1 127 127 LYS H H 1 8.41032 . . . . . . . . 127 LYS H . 27905 1 228 . 1 1 127 127 LYS N N 15 122.46641 . . . . . . . . 127 LYS N . 27905 1 229 . 1 1 128 128 GLN H H 1 8.35387 . . . . . . . . 128 GLN H . 27905 1 230 . 1 1 128 128 GLN N N 15 122.09303 . . . . . . . . 128 GLN N . 27905 1 231 . 1 1 129 129 SER H H 1 8.30879 . . . . . . . . 129 SER H . 27905 1 232 . 1 1 129 129 SER N N 15 117.97692 . . . . . . . . 129 SER N . 27905 1 233 . 1 1 130 130 THR H H 1 8.22528 . . . . . . . . 130 THR H . 27905 1 234 . 1 1 130 130 THR N N 15 114.5919 . . . . . . . . 130 THR N . 27905 1 235 . 1 1 131 131 ALA H H 1 8.31787 . . . . . . . . 131 ALA H . 27905 1 236 . 1 1 131 131 ALA N N 15 126.54115 . . . . . . . . 131 ALA N . 27905 1 237 . 1 1 132 132 LEU H H 1 8.52469 . . . . . . . . 132 LEU H . 27905 1 238 . 1 1 132 132 LEU N N 15 122.34766 . . . . . . . . 132 LEU N . 27905 1 239 . 1 1 133 133 THR H H 1 8.14369 . . . . . . . . 133 THR H . 27905 1 240 . 1 1 133 133 THR N N 15 113.22546 . . . . . . . . 133 THR N . 27905 1 241 . 1 1 134 134 THR H H 1 8.17143 . . . . . . . . 134 THR H . 27905 1 242 . 1 1 134 134 THR N N 15 115.23639 . . . . . . . . 134 THR N . 27905 1 243 . 1 1 135 135 ASN H H 1 8.32466 . . . . . . . . 135 ASN H . 27905 1 244 . 1 1 135 135 ASN N N 15 119.73299 . . . . . . . . 135 ASN N . 27905 1 245 . 1 1 136 136 ASP H H 1 8.27351 . . . . . . . . 136 ASP H . 27905 1 246 . 1 1 136 136 ASP N N 15 125.34425 . . . . . . . . 136 ASP N . 27905 1 247 . 1 1 137 137 THR H H 1 8.38165 . . . . . . . . 137 THR H . 27905 1 248 . 1 1 137 137 THR N N 15 109.21305 . . . . . . . . 137 THR N . 27905 1 249 . 1 1 138 138 SER H H 1 8.29898 . . . . . . . . 138 SER H . 27905 1 250 . 1 1 138 138 SER N N 15 116.34768 . . . . . . . . 138 SER N . 27905 1 251 . 1 1 139 139 ILE H H 1 8.09826 . . . . . . . . 139 ILE H . 27905 1 252 . 1 1 139 139 ILE N N 15 121.84726 . . . . . . . . 139 ILE N . 27905 1 253 . 1 1 140 140 ILE H H 1 8.24389 . . . . . . . . 140 ILE H . 27905 1 254 . 1 1 140 140 ILE N N 15 125.98994 . . . . . . . . 140 ILE N . 27905 1 255 . 1 1 141 141 LEU H H 1 8.36473 . . . . . . . . 141 LEU H . 27905 1 256 . 1 1 141 141 LEU N N 15 124.34868 . . . . . . . . 141 LEU N . 27905 1 257 . 1 1 142 142 ASP H H 1 8.30417 . . . . . . . . 142 ASP H . 27905 1 258 . 1 1 142 142 ASP N N 15 123.6391 . . . . . . . . 142 ASP N . 27905 1 259 . 1 1 143 143 ASP H H 1 8.14612 . . . . . . . . 143 ASP H . 27905 1 260 . 1 1 143 143 ASP N N 15 123.05481 . . . . . . . . 143 ASP N . 27905 1 261 . 1 1 144 144 SER H H 1 8.21874 . . . . . . . . 144 SER H . 27905 1 262 . 1 1 144 144 SER N N 15 117.49389 . . . . . . . . 144 SER N . 27905 1 263 . 1 1 145 145 LEU H H 1 8.34626 . . . . . . . . 145 LEU H . 27905 1 264 . 1 1 145 145 LEU N N 15 125.5812 . . . . . . . . 145 LEU N . 27905 1 265 . 1 1 147 147 THR H H 1 8.10681 . . . . . . . . 147 THR H . 27905 1 266 . 1 1 147 147 THR N N 15 114.97446 . . . . . . . . 147 THR N . 27905 1 267 . 1 1 148 148 ASN H H 1 8.4724 . . . . . . . . 148 ASN H . 27905 1 268 . 1 1 148 148 ASN N N 15 119.89399 . . . . . . . . 148 ASN N . 27905 1 269 . 1 1 149 149 SER H H 1 8.42813 . . . . . . . . 149 SER H . 27905 1 270 . 1 1 149 149 SER N N 15 118.53458 . . . . . . . . 149 SER N . 27905 1 271 . 1 1 150 150 LYS H H 1 8.39312 . . . . . . . . 150 LYS H . 27905 1 272 . 1 1 150 150 LYS N N 15 125.3389 . . . . . . . . 150 LYS N . 27905 1 273 . 1 1 151 151 LYS H H 1 8.41892 . . . . . . . . 151 LYS H . 27905 1 274 . 1 1 151 151 LYS N N 15 123.51432 . . . . . . . . 151 LYS N . 27905 1 275 . 1 1 152 152 LEU H H 1 8.37634 . . . . . . . . 152 LEU H . 27905 1 276 . 1 1 152 152 LEU N N 15 123.57924 . . . . . . . . 152 LEU N . 27905 1 277 . 1 1 153 153 GLY H H 1 8.40019 . . . . . . . . 153 GLY H . 27905 1 278 . 1 1 153 153 GLY N N 15 109.79847 . . . . . . . . 153 GLY N . 27905 1 279 . 1 1 154 154 LYS H H 1 8.33431 . . . . . . . . 154 LYS H . 27905 1 280 . 1 1 154 154 LYS N N 15 122.55136 . . . . . . . . 154 LYS N . 27905 1 281 . 1 1 155 155 THR H H 1 8.2214 . . . . . . . . 155 THR H . 27905 1 282 . 1 1 155 155 THR N N 15 114.75044 . . . . . . . . 155 THR N . 27905 1 283 . 1 1 156 156 ARG H H 1 8.48565 . . . . . . . . 156 ARG H . 27905 1 284 . 1 1 156 156 ARG N N 15 123.41789 . . . . . . . . 156 ARG N . 27905 1 285 . 1 1 157 157 ASN H H 1 8.30804 . . . . . . . . 157 ASN H . 27905 1 286 . 1 1 157 157 ASN N N 15 119.09247 . . . . . . . . 157 ASN N . 27905 1 287 . 1 1 158 158 GLU H H 1 8.43436 . . . . . . . . 158 GLU H . 27905 1 288 . 1 1 158 158 GLU N N 15 121.64476 . . . . . . . . 158 GLU N . 27905 1 289 . 1 1 160 160 LYS H H 1 8.57156 . . . . . . . . 160 LYS H . 27905 1 290 . 1 1 160 160 LYS N N 15 122.49569 . . . . . . . . 160 LYS N . 27905 1 291 . 1 1 161 161 GLU H H 1 8.27669 . . . . . . . . 161 GLU H . 27905 1 292 . 1 1 161 161 GLU N N 15 121.61284 . . . . . . . . 161 GLU N . 27905 1 293 . 1 1 162 162 GLU H H 1 8.37449 . . . . . . . . 162 GLU H . 27905 1 294 . 1 1 162 162 GLU N N 15 121.33149 . . . . . . . . 162 GLU N . 27905 1 295 . 1 1 163 163 SER H H 1 8.37068 . . . . . . . . 163 SER H . 27905 1 296 . 1 1 163 163 SER N N 15 115.40188 . . . . . . . . 163 SER N . 27905 1 297 . 1 1 164 164 GLN H H 1 8.33156 . . . . . . . . 164 GLN H . 27905 1 298 . 1 1 164 164 GLN N N 15 120.73878 . . . . . . . . 164 GLN N . 27905 1 299 . 1 1 165 165 LYS H H 1 7.81925 . . . . . . . . 165 LYS H . 27905 1 300 . 1 1 165 165 LYS N N 15 120.40554 . . . . . . . . 165 LYS N . 27905 1 301 . 1 1 166 166 ARG H H 1 8.62082 . . . . . . . . 166 ARG H . 27905 1 302 . 1 1 166 166 ARG N N 15 121.16651 . . . . . . . . 166 ARG N . 27905 1 303 . 1 1 167 167 GLU H H 1 8.52985 . . . . . . . . 167 GLU H . 27905 1 304 . 1 1 167 167 GLU N N 15 121.54557 . . . . . . . . 167 GLU N . 27905 1 305 . 1 1 168 168 LEU H H 1 8.23905 . . . . . . . . 168 LEU H . 27905 1 306 . 1 1 168 168 LEU N N 15 122.82448 . . . . . . . . 168 LEU N . 27905 1 307 . 1 1 169 169 VAL H H 1 8.24703 . . . . . . . . 169 VAL H . 27905 1 308 . 1 1 169 169 VAL N N 15 121.15779 . . . . . . . . 169 VAL N . 27905 1 309 . 1 1 170 170 SER H H 1 8.32598 . . . . . . . . 170 SER H . 27905 1 310 . 1 1 170 170 SER N N 15 119.23674 . . . . . . . . 170 SER N . 27905 1 311 . 1 1 171 171 ASN H H 1 8.4756 . . . . . . . . 171 ASN H . 27905 1 312 . 1 1 171 171 ASN N N 15 119.83178 . . . . . . . . 171 ASN N . 27905 1 313 . 1 1 172 172 SER H H 1 8.43178 . . . . . . . . 172 SER H . 27905 1 314 . 1 1 172 172 SER N N 15 118.78116 . . . . . . . . 172 SER N . 27905 1 315 . 1 1 173 173 ILE H H 1 8.27087 . . . . . . . . 173 ILE H . 27905 1 316 . 1 1 173 173 ILE N N 15 122.53348 . . . . . . . . 173 ILE N . 27905 1 317 . 1 1 174 174 LYS H H 1 8.35875 . . . . . . . . 174 LYS H . 27905 1 318 . 1 1 174 174 LYS N N 15 125.6645 . . . . . . . . 174 LYS N . 27905 1 319 . 1 1 175 175 GLU H H 1 8.30112 . . . . . . . . 175 GLU H . 27905 1 320 . 1 1 175 175 GLU N N 15 121.92873 . . . . . . . . 175 GLU N . 27905 1 321 . 1 1 176 176 ALA H H 1 8.42153 . . . . . . . . 176 ALA H . 27905 1 322 . 1 1 176 176 ALA N N 15 127.68403 . . . . . . . . 176 ALA N . 27905 1 323 . 1 1 177 177 THR H H 1 8.15043 . . . . . . . . 177 THR H . 27905 1 324 . 1 1 177 177 THR N N 15 113.61523 . . . . . . . . 177 THR N . 27905 1 325 . 1 1 178 178 SER H H 1 8.38421 . . . . . . . . 178 SER H . 27905 1 326 . 1 1 178 178 SER N N 15 116.20725 . . . . . . . . 178 SER N . 27905 1 327 . 1 1 180 180 LYS H H 1 8.43191 . . . . . . . . 180 LYS H . 27905 1 328 . 1 1 180 180 LYS N N 15 121.54974 . . . . . . . . 180 LYS N . 27905 1 329 . 1 1 181 181 THR H H 1 8.21841 . . . . . . . . 181 THR H . 27905 1 330 . 1 1 181 181 THR N N 15 114.74467 . . . . . . . . 181 THR N . 27905 1 331 . 1 1 182 182 SER H H 1 8.29587 . . . . . . . . 182 SER H . 27905 1 332 . 1 1 182 182 SER N N 15 116.12344 . . . . . . . . 182 SER N . 27905 1 333 . 1 1 183 183 SER H H 1 8.39622 . . . . . . . . 183 SER H . 27905 1 334 . 1 1 183 183 SER N N 15 116.85551 . . . . . . . . 183 SER N . 27905 1 335 . 1 1 184 184 ILE H H 1 8.15098 . . . . . . . . 184 ILE H . 27905 1 336 . 1 1 184 184 ILE N N 15 122.39463 . . . . . . . . 184 ILE N . 27905 1 337 . 1 1 185 185 LEU H H 1 8.21462 . . . . . . . . 185 LEU H . 27905 1 338 . 1 1 185 185 LEU N N 15 123.71804 . . . . . . . . 185 LEU N . 27905 1 339 . 1 1 186 186 THR H H 1 8.14904 . . . . . . . . 186 THR H . 27905 1 340 . 1 1 186 186 THR N N 15 113.23259 . . . . . . . . 186 THR N . 27905 1 341 . 1 1 187 187 LYS H H 1 8.31816 . . . . . . . . 187 LYS H . 27905 1 342 . 1 1 187 187 LYS N N 15 125.92909 . . . . . . . . 187 LYS N . 27905 1 343 . 1 1 189 189 ARG H H 1 8.44693 . . . . . . . . 189 ARG H . 27905 1 344 . 1 1 189 189 ARG N N 15 121.95218 . . . . . . . . 189 ARG N . 27905 1 345 . 1 1 190 190 ASN H H 1 8.20773 . . . . . . . . 190 ASN H . 27905 1 346 . 1 1 190 190 ASN N N 15 118.97816 . . . . . . . . 190 ASN N . 27905 1 stop_ save_