NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12783 | 1tm6 | 6289 | cing | 1-original | 5 | STAR | chemical shift |
# The atom table chosen for this sequence is: loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code # #Atom Residue #shift Seq Residue Atom Atom Shift/ Error/ Ambiguity #assign code Label Name Type ppm ppm Code #--------------------------------------------------------------- # 1 1 GLY HA2 H 3.96 0.05 2 2 1 GLY HA3 H 3.90 0.05 2 3 1 GLY CA C 43.54 0.10 1 4 2 ARG HA H 4.14 0.05 1 5 2 ARG HB2 H 2.09 0.05 2 6 2 ARG HB3 H 1.93 0.05 2 7 2 ARG HG2 H 2.27 0.05 2 9 2 ARG CA C 56.88 0.10 1 10 2 ARG CB C 30.32 0.10 1 11 2 ARG N N 125.19 0.10 1 12 2 ARG NH H 7.91 0.10 2 14 3 ASN HA H 4.87 0.05 1 15 3 ASN HB2 H 2.52 0.05 1 16 3 ASN HB3 H 2.79 0.05 1 17 3 ASN CA C 53.65 0.10 1 18 3 ASN CB C 40.29 0.10 1 19 3 ASN N N 120.13 0.10 1 20 3 ASN HN H 7.69 0.10 1 21 4 ASP HA H 4.97 0.05 1 22 4 ASP HB2 H 2.69 0.05 1 23 4 ASP HB3 H 2.97 0.05 1 24 4 ASP CA C 52.93 0.10 1 25 4 ASP CB C 39.30 0.10 1 26 4 ASP N N 115.64 0.10 1 27 4 ASP NH H 7.63 0.10 1 28 5 PRO HA H 4.35 0.05 1 29 5 PRO HB2 H 2.25 0.05 2 30 5 PRO HB3 H 1.76 0.05 2 31 5 PRO HG2 H 2.11 0.05 2 32 5 PRO HG3 H 1.97 0.05 2 33 5 PRO HD2 H 3.91 0.05 2 34 5 PRO HD3 H 3.60 0.05 2 35 5 PRO CA C 63.30 0.10 1 36 5 PRO CB C 32.05 0.10 1 37 5 PRO CG C 28.11 0.10 1 38 5 PRO CD C 50.70 0.10 1 39 6 CYS HA H 4.45 0.05 1 40 6 CYS HB2 H 2.43 0.05 1 41 6 CYS HB3 H 3.29 0.05 1 42 6 CYS CA C 59.78 0.10 1 43 6 CYS CB C 30.03 0.10 1 44 6 CYS N N 115.64 0.10 1 45 6 CYS NH H 7.61 0.10 1 46 7 PRO HA H 4.45 0.05 1 47 7 PRO HB2 H 1.92 0.05 2 48 7 PRO HB3 H 2.33 0.05 2 49 7 PRO HG2 H 2.42 0.05 2 51 7 PRO HD2 H 4.47 0.05 2 52 7 PRO HD3 H 4.07 0.05 2 53 7 PRO CA C 64.80 0.10 1 54 7 PRO CB C 32.47 0.10 1 55 7 PRO CG C 29.86 0.10 1 56 7 PRO CD C 53.59 0.10 1 57 8 CYS HA H 4.60 0.05 1 58 8 CYS HB2 H 3.24 0.05 1 59 8 CYS HB3 H 2.86 0.05 1 60 8 CYS CA C 59.61 0.10 1 61 8 CYS CB C 31.25 0.10 1 62 8 CYS N N 127.40 0.10 1 63 8 CYS HN H 9.37 0.10 1 64 9 GLY HA2 H 3.92 0.05 2 65 9 GLY HA3 H 4.34 0.05 2 66 9 GLY CA C 46.20 0.10 1 67 9 GLY N N 108.74 0.10 1 68 9 GLY HN N 7.88 0.10 1 69 10 SER HA H 4.18 0.05 1 70 10 SER HB2 H 3.94 0.05 1 71 10 SER HB3 H 4.22 0.05 1 72 10 SER CA C 61.92 0.10 1 73 10 SER CB C 63.57 0.10 1 74 10 SER N N 118.96 0.10 1 75 10 SER HN H 8.90 0.10 1 76 11 GLY HA2 H 4.36 0.05 2 77 11 GLY HA3 H 3.62 0.05 2 78 11 GLY CA C 45.19 0.10 1 79 11 GLY N N 111.50 0.10 1 80 11 GLY HN H 9.46 0.10 1 81 12 LYS HA H 4.46 0.05 1 82 12 LYS HB2 H 1.53 0.05 1 83 12 LYS HB3 H 1.84 0.05 1 84 12 LYS HG2 H 1.98 0.05 2 85 12 LYS HG3 H 1.94 0.05 2 86 12 LYS HD2 H 1.41 0.05 2 88 12 LYS HE2 H 3.02 0.05 2 90 12 LYS CA C 55.04 0.10 1 91 12 LYS CB C 35.02 0.10 1 92 12 LYS CG C 27.43 0.10 1 93 12 LYS CE C 42.22 0.10 1 94 12 LYS N N 119.61 0.10 1 95 12 LYS HN H 7.87 0.10 1 96 13 LYS HA H 4.24 0.05 1 97 13 LYS HB2 H 1.58 0.05 2 98 13 LYS HB3 H 2.01 0.05 2 99 13 LYS HG2 H 1.69 0.05 2 100 13 LYS HG3 H 1.41 0.05 2 101 13 LYS CA C 59.34 0.10 1 102 13 LYS CB C 33.49 0.10 1 103 13 LYS CG C 25.91 0.10 1 104 13 LYS N N 119.07 0.10 1 105 13 LYS HN H 8.59 0.10 1 106 14 TYR HA H 4.51 0.05 1 107 14 TYR HB2 H 3.25 0.05 1 108 14 TYR HB3 H 3.19 0.05 1 109 14 TYR HD1 H 7.55 0.05 3 111 14 TYR HE1 H 6.79 0.05 3 113 14 TYR CA C 62.49 0.10 1 114 14 TYR CB C 38.95 0.10 1 115 14 TYR N N 124.01 0.10 1 116 14 TYR HN H 9.31 0.10 1 117 15 LYS HA H 3.75 0.05 1 118 15 LYS HB2 H 1.96 0.05 2 119 15 LYS HB3 H 1.80 0.05 2 120 15 LYS HG2 H 1.39 0.05 2 121 15 LYS HG3 H 1.29 0.05 2 122 15 LYS HE2 H 2.97 0.05 2 124 15 LYS CA C 58.34 0.10 1 125 15 LYS CB C 31.75 0.10 1 126 15 LYS CG C 24.94 0.10 1 127 15 LYS CE C 42.18 0.10 1 128 15 LYS N N 123.71 0.10 1 129 15 LYS HN H 8.80 0.10 1 130 16 GLN HA H 4.42 0.05 1 131 16 GLN HB2 H 1.98 0.05 1 132 16 GLN HB3 H 2.34 0.05 1 133 16 GLN HG2 H 2.42 0.05 2 134 16 GLN HG3 H 2.22 0.05 2 135 16 GLN CA C 59.78 0.10 1 136 16 GLN CB C 30.35 0.10 1 137 16 GLN CG C 34.64 0.10 1 138 16 GLN N N 114.96 0.10 1 139 16 GLN HN H 7.50 0.10 1 140 17 CYS HA H 4.50 0.05 1 141 17 CYS HB2 H 2.53 0.05 1 142 17 CYS HB3 H 3.01 0.05 1 143 17 CYS CA C 60.34 0.10 1 144 17 CYS CB C 29.88 0.10 1 145 17 CYS N N 126.14 0.10 1 146 17 CYS HN H 7.78 0.10 1 147 18 HIS HA H 4.23 0.05 1 148 18 HIS HB2 H 3.10 0.05 1 149 18 HIS HB3 H 3.44 0.05 1 150 18 HIS HD1 H 7.34 0.05 1 152 18 HIS HE1 H 7.98 0.05 1 154 18 HIS CA C 56.66 0.10 1 155 18 HIS CB C 26.69 0.10 1 156 18 HIS HN N 8.85 0.10 1 157 18 HIS N H 114.75 0.10 1 158 19 GLY HA2 H 3.88 0.05 2 159 19 GLY HA3 H 1.95 0.05 2 160 19 GLY CA C 44.67 0.10 1 161 19 GLY N N 108.74 0.10 1 162 19 GLY HN H 7.90 0.10 1 163 20 ARG HA H 4.16 0.05 1 164 20 ARG HB2 H 1.64 0.05 2 166 20 ARG HG2 H 1.55 0.05 2 167 20 ARG HG3 H 1.47 0.05 2 168 20 ARG HD2 H 3.10 0.05 2 170 20 ARG CA C 59.77 0.10 1 171 20 ARG CB C 30.98 0.10 1 172 20 ARG CG C 27.18 0.10 1 173 20 ARG CD C 43.62 0.10 1 174 20 ARG N N 119.06 0.10 1 175 20 ARG NH H 6.82 0.10 2 177 21 LEU HA H 4.37 0.05 1 178 21 LEU HB2 H 1.63 0.05 2 180 21 LEU HG H 1.19 0.05 1 181 21 LEU HD1 H 0.92 0.05 2 182 21 LEU HD2 H 0.85 0.05 2 183 21 LEU CA C 55.19 0.10 1 184 21 LEU CB C 42.14 0.10 1 185 21 LEU CD1 C 25.16 0.10 2 186 21 LEU CD2 C 23.29 0.10 2 187 21 LEU HN H 8.21 0.10 1 188 22 GLN HA H 4.14 0.05 1 189 22 GLN HB2 H 1.91 0.05 2 190 22 GLN HB3 H 2.12 0.05 2 191 22 GLN HG2 H 2.27 0.05 2 193 22 GLN CA C 57.14 0.10 1 194 22 GLN CB C 30.70 0.10 1 195 22 GLN CG C 34.36 0.10 1 196 22 GLN N N 125.01 0.10 1 197 22 GLN HN H 7.76 0.10 1 stop_ # The following loop is used to define sets of Atom-shift assignment IDs that # represent related ambiguous assignments taken from the above list of # assigned chemical shifts. Each element in the set should be separated by a # comma, as shown in the example below, and is the assignment ID for a chemical # shift assignment that has been given as ambiguity code of 4 or 5. Each set # indicates that the observed chemical shifts are related to the defined # atoms, but have not been assigned uniquely to a specific atom in the set. loop_ _Atom_shift_assign_ID_ambiguity # # Sets of Atom-shift Assignment Ambiguities # # ------------------------------------------ # Example: 5,4,7 # @
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