NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type
6099 1ifw 5053 cing recoord 1-original 4 STAR chemical shift




 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      2      PRO    CA     C     63.3     0.20   1
 2      2      PRO    HA     H      4.47    0.02   1
 3      2      PRO    CB     C     32.5     0.20   1
 4      3      LEU    N      N    122.6     0.25   1
 5      3      LEU    HN     H      8.47    0.02   1
 6      3      LEU    CA     C     55.6     0.20   1
 7      3      LEU    HA     H      4.34    0.02   1
 8      3      LEU    CB     C     42.5     0.20   1
 9      3      LEU    HB2    H      1.68    0.02   2
 10     3      LEU    HB3    H      1.68    0.02   2
 11     4      GLY    N      N    110.1     0.25   1
 12     4      GLY    HN     H      8.35    0.02   1
 13     4      GLY    CA     C     45.2     0.20   1
 14     4      GLY    HA1    H      3.96    0.02   2
 15     4      GLY    HA2    H      3.96    0.02   2
 16     5      SER    N      N    117.2     0.25   1
 17     5      SER    HN     H      8.15    0.02   1
 18     5      SER    CA     C     56.6     0.20   1
 19     5      SER    HA     H      3.83    0.02   1
 20     5      SER    CB     C     63.6     0.20   1
 21     6      PRO    CA     C     63.5     0.20   1
 22     6      PRO    CB     C     32.3     0.20   1
 23     7      ARG    N      N    121.5     0.25   1
 24     7      ARG    HN     H      8.41    0.02   1
 25     7      ARG    CA     C     56.5     0.20   1
 26     7      ARG    HA     H      4.27    0.02   1
 27     7      ARG    CB     C     30.9     0.20   1
 28     7      ARG    HB2    H      1.81    0.02   2
 29     7      ARG    HB3    H      1.73    0.02   2
 30     7      ARG    HG2    H      1.63    0.02   2
 31     7      ARG    HG3    H      1.63    0.02   2
 32     8      ASN    N      N    120.2     0.25   1
 33     8      ASN    HN     H      8.43    0.02   1
 34     8      ASN    CA     C     53.3     0.20   1
 35     8      ASN    HA     H      4.69    0.02   1
 36     8      ASN    CB     C     39.2     0.20   1
 37     8      ASN    HB2    H      2.86    0.02   2
 38     8      ASN    HB3    H      2.78    0.02   2
 39     9      ALA    N      N    124.9     0.25   1
 40     9      ALA    HN     H      8.34    0.02   1
 41     9      ALA    CA     C     53.3     0.20   1
 42     9      ALA    HA     H      4.26    0.02   1
 43     9      ALA    CB     C     19.4     0.20   1
 44     9      ALA    HB     H      1.38    0.02   1
 45     10     ASN    N      N    117.2     0.25   1
 46     10     ASN    HN     H      8.38    0.02   1
 47     10     ASN    CA     C     53.6     0.20   1
 48     10     ASN    HA     H      4.67    0.02   1
 49     10     ASN    CB     C     38.9     0.20   1
 50     10     ASN    HB2    H      2.82    0.02   2
 51     10     ASN    HB3    H      2.72    0.02   2
 52     11     ASP    N      N    120.6     0.25   1
 53     11     ASP    HN     H      8.09    0.02   1
 54     11     ASP    CA     C     54.7     0.20   1
 55     11     ASP    HA     H      4.57    0.02   1
 56     11     ASP    CB     C     41.2     0.20   1
 57     11     ASP    HB2    H      2.67    0.02   2
 58     11     ASP    HB3    H      2.67    0.02   2
 59     12     ASN    N      N    119.2     0.25   1
 60     12     ASN    HN     H      8.34    0.02   1
 61     12     ASN    CA     C     53.8     0.20   1
 62     12     ASN    HA     H      4.67    0.02   1
 63     12     ASN    CB     C     38.9     0.20   1
 64     12     ASN    HB2    H      2.79    0.02   2
 65     12     ASN    HB3    H      2.68    0.02   2
 66     13     ASN    N      N    119.2     0.25   1
 67     13     ASN    HN     H      8.36    0.02   1
 68     13     ASN    CA     C     54.3     0.20   1
 69     13     ASN    HA     H      4.66    0.02   1
 70     13     ASN    CB     C     38.9     0.20   1
 71     13     ASN    HB2    H      2.84    0.02   2
 72     13     ASN    HB3    H      2.84    0.02   2
 73     14     GLN    N      N    120.5     0.25   1
 74     14     GLN    HN     H      8.35    0.02   1
 75     14     GLN    CA     C     57.4     0.20   1
 76     14     GLN    HA     H      4.18    0.02   1
 77     14     GLN    CB     C     28.9     0.20   1
 78     14     GLN    HB2    H      1.98    0.02   2
 79     14     GLN    HB3    H      1.94    0.02   2
 80     14     GLN    HG2    H      2.22    0.02   2
 81     14     GLN    HG3    H      2.22    0.02   2
 82     15     PHE    N      N    120.3     0.25   1
 83     15     PHE    HN     H      8.14    0.02   1
 84     15     PHE    CA     C     59.4     0.20   1
 85     15     PHE    HA     H      4.47    0.02   1
 86     15     PHE    CB     C     39.2     0.20   1
 87     15     PHE    HB2    H      3.05    0.02   2
 88     15     PHE    HB3    H      3.05    0.02   2
 89     15     PHE    HD1    H      7.12    0.02   3
 90     16     TYR    N      N    120.2     0.25   1
 91     16     TYR    HN     H      8.01    0.02   1
 92     16     TYR    CA     C     59.7     0.20   1
 93     16     TYR    HA     H      4.36    0.02   1
 94     16     TYR    CB     C     38.8     0.20   1
 95     16     TYR    HB2    H      3.06    0.02   2
 96     16     TYR    HB3    H      3.02    0.02   2
 97     16     TYR    HD1    H      7.12    0.02   3
 98     16     TYR    HE1    H      6.82    0.02   3
 99     17     GLN    N      N    120.3     0.25   1
 100    17     GLN    HN     H      8.25    0.02   1
 101    17     GLN    CA     C     57.6     0.20   1
 102    17     GLN    HA     H      4.16    0.02   1
 103    17     GLN    HB2    H      2.17    0.02   2
 104    17     GLN    HB3    H      2.06    0.02   2
 105    17     GLN    HG2    H      2.42    0.02   2
 106    17     GLN    HG3    H      2.42    0.02   2
 107    18     GLN    N      N    121.0     0.25   1
 108    18     GLN    HN     H      8.32    0.02   1
 109    18     GLN    CA     C     58.5     0.20   1
 110    18     GLN    HA     H      4.13    0.02   1
 111    18     GLN    CB     C     28.7     0.20   1
 112    18     GLN    HB2    H      2.13    0.02   2
 113    18     GLN    HB3    H      2.13    0.02   2
 114    18     GLN    HG2    H      2.42    0.02   2
 115    18     GLN    HG3    H      2.42    0.02   2
 116    19     LYS    N      N    120.7     0.25   1
 117    19     LYS    HN     H      8.23    0.02   1
 118    19     LYS    CA     C     58.6     0.20   1
 119    19     LYS    HA     H      4.11    0.02   1
 120    19     LYS    CB     C     32.4     0.20   1
 121    19     LYS    HB2    H      1.80    0.02   2
 122    19     LYS    HB3    H      1.80    0.02   2
 123    19     LYS    HG2    H      1.43    0.02   2
 124    19     LYS    HG3    H      1.35    0.02   2
 125    20     GLN    N      N    119.8     0.25   1
 126    20     GLN    HN     H      8.07    0.02   1
 127    20     GLN    CA     C     58.2     0.20   1
 128    20     GLN    HA     H      4.22    0.02   1
 129    20     GLN    CB     C     29.4     0.20   1
 130    20     GLN    HB2    H      2.13    0.02   2
 131    20     GLN    HB3    H      2.04    0.02   2
 132    20     GLN    HG2    H      2.38    0.02   2
 133    20     GLN    HG3    H      2.29    0.02   2
 134    21     ARG    N      N    121.0     0.25   1
 135    21     ARG    HN     H      8.17    0.02   1
 136    21     ARG    CA     C     59.4     0.20   1
 137    21     ARG    HA     H      4.03    0.02   1
 138    21     ARG    CB     C     30.5     0.20   1
 139    21     ARG    HB2    H      1.88    0.02   2
 140    21     ARG    HB3    H      1.88    0.02   2
 141    21     ARG    HG2    H      1.70    0.02   2
 142    21     ARG    HG3    H      1.62    0.02   2
 143    21     ARG    HD2    H      3.21    0.02   2
 144    21     ARG    HD3    H      3.21    0.02   2
 145    22     GLN    N      N    120.0     0.25   1
 146    22     GLN    HN     H      8.21    0.02   1
 147    22     GLN    CA     C     58.6     0.20   1
 148    22     GLN    HA     H      4.10    0.02   1
 149    22     GLN    CB     C     28.6     0.20   1
 150    22     GLN    HB2    H      2.15    0.02   2
 151    22     GLN    HB3    H      2.15    0.02   2
 152    22     GLN    HG2    H      2.44    0.02   2
 153    22     GLN    HG3    H      2.40    0.02   2
 154    23     ALA    N      N    123.1     0.25   1
 155    23     ALA    HN     H      7.96    0.02   1
 156    23     ALA    CA     C     54.9     0.20   1
 157    23     ALA    HA     H      4.25    0.02   1
 158    23     ALA    CB     C     18.5     0.20   1
 159    23     ALA    HB     H      1.52    0.02   1
 160    24     LEU    N      N    120.2     0.25   1
 161    24     LEU    HN     H      8.16    0.02   1
 162    24     LEU    CA     C     58.1     0.20   1
 163    24     LEU    HA     H      4.08    0.02   1
 164    24     LEU    CB     C     42.3     0.20   1
 165    24     LEU    HB2    H      1.74    0.02   2
 166    24     LEU    HB3    H      1.54    0.02   2
 167    24     LEU    HD11   H      0.69    0.02   2
 168    24     LEU    HD21   H      0.61    0.02   2
 169    25     GLY    N      N    106.2     0.25   1
 170    25     GLY    HN     H      8.41    0.02   1
 171    25     GLY    CA     C     48.5     0.20   1
 172    25     GLY    HA1    H      3.99    0.02   2
 173    25     GLY    HA2    H      3.65    0.02   2
 174    26     GLU    N      N    122.1     0.25   1
 175    26     GLU    HN     H      8.02    0.02   1
 176    26     GLU    CA     C     59.5     0.20   1
 177    26     GLU    HA     H      4.12    0.02   1
 178    26     GLU    CB     C     30.0     0.20   1
 179    26     GLU    HB2    H      2.19    0.02   2
 180    26     GLU    HB3    H      2.09    0.02   2
 181    26     GLU    HG2    H      2.45    0.02   2
 182    26     GLU    HG3    H      2.45    0.02   2
 183    27     GLN    N      N    118.4     0.25   1
 184    27     GLN    HN     H      7.86    0.02   1
 185    27     GLN    CA     C     58.8     0.20   1
 186    27     GLN    HA     H      4.09    0.02   1
 187    27     GLN    CB     C     29.4     0.20   1
 188    27     GLN    HB2    H      2.17    0.02   2
 189    27     GLN    HB3    H      2.12    0.02   2
 190    27     GLN    HG2    H      2.58    0.02   2
 191    27     GLN    HG3    H      2.42    0.02   2
 192    28     LEU    N      N    120.8     0.25   1
 193    28     LEU    HN     H      8.72    0.02   1
 194    28     LEU    CA     C     58.0     0.20   1
 195    28     LEU    HA     H      3.93    0.02   1
 196    28     LEU    CB     C     42.8     0.20   1
 197    28     LEU    HB2    H      1.76    0.02   2
 198    28     LEU    HB3    H      1.71    0.02   2
 199    28     LEU    HD11   H      0.92    0.02   2
 200    28     LEU    HD21   H      0.92    0.02   2
 201    29     TYR    N      N    120.5     0.25   1
 202    29     TYR    HN     H      8.76    0.02   1
 203    29     TYR    CA     C     61.6     0.20   1
 204    29     TYR    HA     H      4.33    0.02   1
 205    29     TYR    CB     C     38.7     0.20   1
 206    29     TYR    HB2    H      3.28    0.02   2
 207    29     TYR    HB3    H      3.03    0.02   2
 208    29     TYR    HD1    H      7.05    0.02   3
 209    29     TYR    HE1    H      6.64    0.02   3
 210    30     LYS    N      N    119.2     0.25   1
 211    30     LYS    HN     H      7.64    0.02   1
 212    30     LYS    CA     C     59.9     0.20   1
 213    30     LYS    HA     H      3.83    0.02   1
 214    30     LYS    CB     C     32.6     0.20   1
 215    30     LYS    HB2    H      1.92    0.02   2
 216    30     LYS    HB3    H      1.92    0.02   2
 217    30     LYS    HG2    H      1.71    0.02   2
 218    30     LYS    HG3    H      1.71    0.02   2
 219    30     LYS    HD2    H      1.49    0.02   2
 220    30     LYS    HD3    H      1.49    0.02   2
 221    31     LYS    N      N    118.8     0.25   1
 222    31     LYS    HN     H      7.18    0.02   1
 223    31     LYS    CA     C     59.4     0.20   1
 224    31     LYS    HA     H      3.84    0.02   1
 225    31     LYS    CB     C     32.8     0.20   1
 226    31     LYS    HB2    H      1.43    0.02   2
 227    31     LYS    HB3    H      0.97    0.02   2
 228    31     LYS    HG2    H      1.34    0.02   2
 229    31     LYS    HG3    H      1.34    0.02   2
 230    32     VAL    N      N    120.2     0.25   1
 231    32     VAL    HN     H      8.54    0.02   1
 232    32     VAL    CA     C     67.1     0.20   1
 233    32     VAL    HA     H      3.56    0.02   1
 234    32     VAL    CB     C     32.3     0.20   1
 235    32     VAL    HB     H      2.07    0.02   1
 236    32     VAL    HG11   H      1.25    0.02   2
 237    32     VAL    HG21   H      1.09    0.02   2
 238    33     SER    N      N    115.4     0.25   1
 239    33     SER    HN     H      8.76    0.02   1
 240    33     SER    CA     C     61.0     0.20   1
 241    33     SER    HA     H      4.17    0.02   1
 242    33     SER    CB     C     62.7     0.20   1
 243    33     SER    HB2    H      3.68    0.02   2
 244    33     SER    HB3    H      3.30    0.02   2
 245    34     ALA    N      N    121.1     0.25   1
 246    34     ALA    HN     H      6.88    0.02   1
 247    34     ALA    CA     C     53.7     0.20   1
 248    34     ALA    HA     H      4.20    0.02   1
 249    34     ALA    CB     C     18.7     0.20   1
 250    34     ALA    HB     H      1.41    0.02   1
 251    35     LYS    N      N    115.9     0.25   1
 252    35     LYS    HN     H      7.52    0.02   1
 253    35     LYS    CA     C     56.0     0.20   1
 254    35     LYS    HA     H      4.24    0.02   1
 255    35     LYS    CB     C     34.0     0.20   1
 256    35     LYS    HB2    H      1.72    0.02   2
 257    35     LYS    HB3    H      1.72    0.02   2
 258    35     LYS    HG2    H      1.32    0.02   2
 259    35     LYS    HG3    H      1.32    0.02   2
 260    35     LYS    HD2    H      1.55    0.02   2
 261    35     LYS    HD3    H      1.55    0.02   2
 262    36     THR    CA     C     60.4     0.20   1
 263    36     THR    HA     H      4.63    0.02   1
 264    36     THR    CB     C     70.3     0.20   1
 265    36     THR    HG21   H      1.18    0.02   1
 266    37     SER    HN     H      8.46    0.02   1
 267    37     SER    CA     C     58.7     0.20   1
 268    37     SER    HA     H      4.49    0.02   1
 269    37     SER    CB     C     63.7     0.20   1
 270    37     SER    HB2    H      4.04    0.02   2
 271    37     SER    HB3    H      3.93    0.02   2
 272    38     ASN    N      N    120.6     0.25   1
 273    38     ASN    HN     H      7.90    0.02   1
 274    38     ASN    CA     C     53.3     0.20   1
 275    38     ASN    HA     H      4.22    0.02   1
 276    38     ASN    CB     C     39.7     0.20   1
 277    38     ASN    HB2    H      2.95    0.02   2
 278    38     ASN    HB3    H      2.86    0.02   2
 279    38     ASN    ND2    N    114.1     0.25   1
 280    38     ASN    HD21   H      7.79    0.02   2
 281    38     ASN    HD22   H      7.17    0.02   2
 282    39     GLU    N      N    127.4     0.25   1
 283    39     GLU    HN     H      9.01    0.02   1
 284    39     GLU    CA     C     60.0     0.20   1
 285    39     GLU    HA     H      4.08    0.02   1
 286    39     GLU    CB     C     30.0     0.20   1
 287    39     GLU    HB2    H      2.12    0.02   2
 288    39     GLU    HB3    H      2.12    0.02   2
 289    39     GLU    HG2    H      2.44    0.02   2
 290    39     GLU    HG3    H      2.44    0.02   2
 291    40     GLU    N      N    123.1     0.25   1
 292    40     GLU    HN     H      8.33    0.02   1
 293    40     GLU    CA     C     59.7     0.20   1
 294    40     GLU    HA     H      4.13    0.02   1
 295    40     GLU    CB     C     29.4     0.20   1
 296    40     GLU    HB2    H      2.23    0.02   2
 297    40     GLU    HB3    H      2.23    0.02   2
 298    40     GLU    HG2    H      2.35    0.02   2
 299    40     GLU    HG3    H      2.35    0.02   2
 300    41     ALA    N      N    123.1     0.25   1
 301    41     ALA    HN     H      7.99    0.02   1
 302    41     ALA    CA     C     54.7     0.20   1
 303    41     ALA    HA     H      3.35    0.02   1
 304    41     ALA    CB     C     18.6     0.20   1
 305    41     ALA    HB     H      1.26    0.02   1
 306    42     ALA    N      N    118.8     0.25   1
 307    42     ALA    HN     H      8.45    0.02   1
 308    42     ALA    CA     C     55.3     0.20   1
 309    42     ALA    HA     H      3.81    0.02   1
 310    42     ALA    CB     C     17.7     0.20   1
 311    42     ALA    HB     H      1.29    0.02   1
 312    43     GLY    N      N    107.5     0.25   1
 313    43     GLY    HN     H      8.45    0.02   1
 314    43     GLY    CA     C     47.8     0.20   1
 315    43     GLY    HA1    H      4.22    0.02   2
 316    43     GLY    HA2    H      3.94    0.02   2
 317    44     LYS    N      N    123.4     0.25   1
 318    44     LYS    HN     H      7.91    0.02   1
 319    44     LYS    CA     C     58.5     0.20   1
 320    44     LYS    HA     H      4.41    0.02   1
 321    44     LYS    CB     C     32.5     0.20   1
 322    44     LYS    HB2    H      1.78    0.02   2
 323    44     LYS    HB3    H      1.68    0.02   2
 324    44     LYS    HG2    H      1.57    0.02   2
 325    44     LYS    HG3    H      1.57    0.02   2
 326    45     ILE    N      N    121.5     0.25   1
 327    45     ILE    HN     H      8.98    0.02   1
 328    45     ILE    CA     C     66.2     0.20   1
 329    45     ILE    HA     H      3.64    0.02   1
 330    45     ILE    CB     C     38.2     0.20   1
 331    45     ILE    HB     H      1.69    0.02   1
 332    45     ILE    HG21   H      0.59    0.02   1
 333    45     ILE    HG12   H      1.46    0.02   2
 334    45     ILE    HD11   H      0.82    0.02   1
 335    46     THR    N      N    116.2     0.25   1
 336    46     THR    HN     H      7.92    0.02   1
 337    46     THR    CA     C     68.2     0.20   1
 338    46     THR    HA     H      3.66    0.02   1
 339    46     THR    CB     C     68.8     0.20   1
 340    46     THR    HB     H      4.37    0.02   1
 341    46     THR    HG21   H      1.26    0.02   1
 342    47     GLY    N      N    106.5     0.25   1
 343    47     GLY    HN     H      7.79    0.02   1
 344    47     GLY    CA     C     47.6     0.20   1
 345    47     GLY    HA1    H      3.90    0.02   2
 346    47     GLY    HA2    H      3.68    0.02   2
 347    48     MET    N      N    119.8     0.25   1
 348    48     MET    HN     H      7.83    0.02   1
 349    48     MET    CA     C     59.3     0.20   1
 350    48     MET    HA     H      4.15    0.02   1
 351    48     MET    CB     C     33.9     0.20   1
 352    48     MET    HB2    H      2.21    0.02   2
 353    48     MET    HB3    H      2.15    0.02   2
 354    48     MET    HG2    H      2.79    0.02   2
 355    48     MET    HG3    H      2.58    0.02   2
 356    49     ILE    N      N    121.6     0.25   1
 357    49     ILE    HN     H      7.87    0.02   1
 358    49     ILE    CA     C     65.3     0.20   1
 359    49     ILE    HA     H      3.69    0.02   1
 360    49     ILE    CB     C     38.2     0.20   1
 361    49     ILE    HB     H      1.90    0.02   1
 362    49     ILE    HG21   H      0.86    0.02   1
 363    49     ILE    HD11   H      0.72    0.02   1
 364    50     LEU    N      N    117.0     0.25   1
 365    50     LEU    HN     H      8.07    0.02   1
 366    50     LEU    CA     C     56.2     0.20   1
 367    50     LEU    HA     H      4.01    0.02   1
 368    50     LEU    CB     C     42.3     0.20   1
 369    50     LEU    HB2    H      1.75    0.02   2
 370    50     LEU    HB3    H      1.66    0.02   2
 371    50     LEU    HD11   H      0.86    0.02   2
 372    50     LEU    HD21   H      0.79    0.02   2
 373    51     ASP    N      N    117.9     0.25   1
 374    51     ASP    HN     H      7.15    0.02   1
 375    51     ASP    CA     C     55.3     0.20   1
 376    51     ASP    HA     H      4.69    0.02   1
 377    51     ASP    CB     C     41.3     0.20   1
 378    51     ASP    HB2    H      2.71    0.02   2
 379    51     ASP    HB3    H      2.71    0.02   2
 380    52     LEU    N      N    122.6     0.25   1
 381    52     LEU    HN     H      7.61    0.02   1
 382    52     LEU    CA     C     54.1     0.20   1
 383    52     LEU    HA     H      4.40    0.02   1
 384    52     LEU    CB     C     40.6     0.20   1
 385    52     LEU    HB2    H      1.95    0.02   2
 386    52     LEU    HB3    H      1.86    0.02   2
 387    52     LEU    HG     H      1.26    0.02   1
 388    52     LEU    HD11   H      0.92    0.02   2
 389    52     LEU    HD21   H      0.84    0.02   2
 390    54     PRO    CA     C     66.2     0.20   1
 391    54     PRO    HA     H      4.00    0.02   1
 392    54     PRO    CB     C     32.0     0.20   1
 393    55     GLN    N      N    114.2     0.25   1
 394    55     GLN    HN     H      8.96    0.02   1
 395    55     GLN    CA     C     58.6     0.20   1
 396    55     GLN    HA     H      4.24    0.02   1
 397    55     GLN    CB     C     27.7     0.20   1
 398    55     GLN    HB2    H      2.14    0.02   2
 399    55     GLN    HB3    H      2.14    0.02   2
 400    55     GLN    HG2    H      2.58    0.02   2
 401    55     GLN    HG3    H      2.44    0.02   2
 402    55     GLN    HE21   H      6.97    0.02   2
 403    55     GLN    HE22   H      7.72    0.02   2
 404    56     GLU    N      N    118.2     0.25   1
 405    56     GLU    HN     H      8.10    0.02   1
 406    56     GLU    CA     C     56.9     0.20   1
 407    56     GLU    HA     H      4.32    0.02   1
 408    56     GLU    CB     C     31.0     0.20   1
 409    56     GLU    HB2    H      2.15    0.02   2
 410    56     GLU    HB3    H      1.99    0.02   2
 411    56     GLU    HG2    H      2.32    0.02   2
 412    56     GLU    HG3    H      2.32    0.02   2
 413    57     VAL    N      N    119.8     0.25   1
 414    57     VAL    HN     H      7.51    0.02   1
 415    57     VAL    CA     C     65.1     0.20   1
 416    57     VAL    HA     H      3.67    0.02   1
 417    57     VAL    CB     C     32.5     0.20   1
 418    57     VAL    HB     H      1.85    0.02   1
 419    57     VAL    HG11   H      0.90    0.02   2
 420    57     VAL    HG21   H      0.78    0.02   2
 421    58     PHE    N      N    118.5     0.25   1
 422    58     PHE    HN     H      7.85    0.02   1
 423    58     PHE    CA     C     59.1     0.20   1
 424    58     PHE    HA     H      4.30    0.02   1
 425    58     PHE    CB     C     36.9     0.20   1
 426    58     PHE    HB2    H      3.21    0.02   2
 427    58     PHE    HB3    H      3.08    0.02   2
 428    58     PHE    HD1    H      7.30    0.02   3
 429    59     PRO    CA     C     66.1     0.20   1
 430    59     PRO    CB     C     32.0     0.20   1
 431    60     LEU    N      N    115.4     0.25   1
 432    60     LEU    HN     H      7.68    0.02   1
 433    60     LEU    CA     C     57.4     0.20   1
 434    60     LEU    HA     H      4.20    0.02   1
 435    60     LEU    CB     C     41.2     0.20   1
 436    60     LEU    HB2    H      2.14    0.02   2
 437    60     LEU    HB3    H      2.09    0.02   2
 438    60     LEU    HG     H      1.63    0.02   1
 439    60     LEU    HD11   H      0.74    0.02   2
 440    60     LEU    HD21   H      0.60    0.02   2
 441    61     LEU    N      N    114.9     0.25   1
 442    61     LEU    HN     H      7.53    0.02   1
 443    61     LEU    HA     H      3.98    0.02   1
 444    61     LEU    CB     C     41.0     0.20   1
 445    61     LEU    HB2    H      1.90    0.02   2
 446    61     LEU    HB3    H      1.61    0.02   2
 447    61     LEU    HG     H      1.77    0.02   1
 448    61     LEU    HD11   H      0.91    0.02   2
 449    61     LEU    HD21   H      0.71    0.02   2
 450    62     GLU    N      N    115.5     0.25   1
 451    62     GLU    HN     H      7.16    0.02   1
 452    62     GLU    CA     C     56.4     0.20   1
 453    62     GLU    HA     H      4.45    0.02   1
 454    62     GLU    CB     C     31.8     0.20   1
 455    62     GLU    HB2    H      1.89    0.02   2
 456    62     GLU    HB3    H      1.89    0.02   2
 457    62     GLU    HG2    H      2.24    0.02   2
 458    62     GLU    HG3    H      2.17    0.02   2
 459    63     SER    N      N    113.6     0.25   1
 460    63     SER    HN     H      7.33    0.02   1
 461    63     SER    CA     C     55.8     0.20   1
 462    63     SER    HA     H      4.90    0.02   1
 463    63     SER    CB     C     63.6     0.20   1
 464    63     SER    HB2    H      3.96    0.02   2
 465    63     SER    HB3    H      3.87    0.02   2
 466    64     ASP    N      N    131.5     0.25   1
 467    64     ASP    HN     H      9.08    0.02   1
 468    64     ASP    CA     C     58.0     0.20   1
 469    64     ASP    HA     H      4.65    0.02   1
 470    64     ASP    CB     C     40.6     0.20   1
 471    64     ASP    HB2    H      2.80    0.02   2
 472    64     ASP    HB3    H      2.68    0.02   2
 473    65     GLU    N      N    120.5     0.25   1
 474    65     GLU    HN     H      8.65    0.02   1
 475    65     GLU    CA     C     60.0     0.20   1
 476    65     GLU    HA     H      4.14    0.02   1
 477    65     GLU    CB     C     29.7     0.20   1
 478    65     GLU    HB2    H      2.05    0.02   2
 479    65     GLU    HB3    H      1.95    0.02   2
 480    65     GLU    HG2    H      2.32    0.02   2
 481    65     GLU    HG3    H      2.32    0.02   2
 482    66     LEU    N      N    120.6     0.25   1
 483    66     LEU    HN     H      7.90    0.02   1
 484    66     LEU    CA     C     57.6     0.20   1
 485    66     LEU    HA     H      4.30    0.02   1
 486    66     LEU    CB     C     42.4     0.20   1
 487    66     LEU    HB2    H      1.85    0.02   2
 488    66     LEU    HB3    H      1.80    0.02   2
 489    66     LEU    HG     H      1.62    0.02   1
 490    66     LEU    HD11   H      1.05    0.02   2
 491    66     LEU    HD21   H      0.94    0.02   2
 492    67     PHE    N      N    121.3     0.25   1
 493    67     PHE    HN     H      8.71    0.02   1
 494    67     PHE    CA     C     63.6     0.20   1
 495    67     PHE    HA     H      4.12    0.02   1
 496    67     PHE    CB     C     38.2     0.20   1
 497    67     PHE    HB2    H      3.95    0.02   2
 498    67     PHE    HB3    H      3.30    0.02   2
 499    67     PHE    HD1    H      7.20    0.02   3
 500    67     PHE    HZ     H      6.95    0.02   1
 501    68     GLU    N      N    119.8     0.25   1
 502    68     GLU    HN     H      8.94    0.02   1
 503    68     GLU    CA     C     60.0     0.20   1
 504    68     GLU    HA     H      3.76    0.02   1
 505    68     GLU    CB     C     29.2     0.20   1
 506    68     GLU    HB2    H      2.25    0.02   2
 507    68     GLU    HB3    H      2.16    0.02   2
 508    68     GLU    HG2    H      2.53    0.02   2
 509    68     GLU    HG3    H      2.44    0.02   2
 510    69     GLN    N      N    118.3     0.25   1
 511    69     GLN    HN     H      7.70    0.02   1
 512    69     GLN    CA     C     59.4     0.20   1
 513    69     GLN    HA     H      4.05    0.02   1
 514    69     GLN    CB     C     28.7     0.20   1
 515    69     GLN    HB2    H      2.25    0.02   2
 516    69     GLN    HB3    H      2.12    0.02   2
 517    69     GLN    HG2    H      2.44    0.02   2
 518    69     GLN    HG3    H      2.44    0.02   2
 519    70     HIS    N      N    117.0     0.25   1
 520    70     HIS    HN     H      7.81    0.02   1
 521    70     HIS    CA     C     59.9     0.20   1
 522    70     HIS    HA     H      4.26    0.02   1
 523    70     HIS    CB     C     29.1     0.20   1
 524    70     HIS    HB2    H      3.01    0.02   2
 525    70     HIS    HB3    H      3.01    0.02   2
 526    70     HIS    HD2    H      7.23    0.02   1
 527    70     HIS    HE1    H      8.41    0.02   1
 528    71     TYR    N      N    123.1     0.25   1
 529    71     TYR    HN     H      9.40    0.02   1
 530    71     TYR    CA     C     63.0     0.20   1
 531    71     TYR    HA     H      3.63    0.02   1
 532    71     TYR    CB     C     38.0     0.20   1
 533    71     TYR    HB2    H      2.66    0.02   2
 534    71     TYR    HB3    H      2.07    0.02   2
 535    71     TYR    HD1    H      6.84    0.02   3
 536    71     TYR    HE1    H      6.77    0.02   3
 537    72     LYS    N      N    121.3     0.25   1
 538    72     LYS    HN     H      8.41    0.02   1
 539    72     LYS    CA     C     60.4     0.20   1
 540    72     LYS    HA     H      3.74    0.02   1
 541    72     LYS    CB     C     32.5     0.20   1
 542    72     LYS    HB2    H      1.99    0.02   2
 543    72     LYS    HB3    H      1.92    0.02   2
 544    72     LYS    HG2    H      1.73    0.02   2
 545    72     LYS    HG3    H      1.73    0.02   2
 546    72     LYS    HD2    H      1.47    0.02   2
 547    72     LYS    HD3    H      1.47    0.02   2
 548    73     GLU    N      N    118.7     0.25   1
 549    73     GLU    HN     H      7.28    0.02   1
 550    73     GLU    CA     C     59.3     0.20   1
 551    73     GLU    HA     H      4.05    0.02   1
 552    73     GLU    CB     C     30.0     0.20   1
 553    73     GLU    HB2    H      2.03    0.02   2
 554    73     GLU    HB3    H      2.03    0.02   2
 555    73     GLU    HG2    H      2.39    0.02   2
 556    73     GLU    HG3    H      2.23    0.02   2
 557    74     ALA    N      N    123.4     0.25   1
 558    74     ALA    HN     H      8.24    0.02   1
 559    74     ALA    CA     C     54.8     0.20   1
 560    74     ALA    HA     H      4.28    0.02   1
 561    74     ALA    CB     C     19.7     0.20   1
 562    74     ALA    HB     H      1.42    0.02   1
 563    75     SER    N      N    113.8     0.25   1
 564    75     SER    HN     H      8.72    0.02   1
 565    75     SER    CA     C     62.5     0.20   1
 566    75     SER    HA     H      3.93    0.02   1
 567    75     SER    CB     C     62.6     0.20   1
 568    75     SER    HB2    H      3.52    0.02   2
 569    75     SER    HB3    H      3.48    0.02   2
 570    76     ALA    N      N    123.8     0.25   1
 571    76     ALA    HN     H      7.57    0.02   1
 572    76     ALA    CA     C     55.2     0.20   1
 573    76     ALA    HA     H      4.21    0.02   1
 574    76     ALA    CB     C     18.1     0.20   1
 575    76     ALA    HB     H      1.50    0.02   1
 576    77     ALA    N      N    122.4     0.25   1
 577    77     ALA    HN     H      7.75    0.02   1
 578    77     ALA    CA     C     55.1     0.20   1
 579    77     ALA    HA     H      4.17    0.02   1
 580    77     ALA    CB     C     18.2     0.20   1
 581    77     ALA    HB     H      1.52    0.02   1
 582    78     TYR    N      N    121.5     0.25   1
 583    78     TYR    HN     H      8.67    0.02   1
 584    78     TYR    CA     C     61.5     0.20   1
 585    78     TYR    HA     H      4.18    0.02   1
 586    78     TYR    CB     C     38.6     0.20   1
 587    78     TYR    HB2    H      3.15    0.02   2
 588    78     TYR    HB3    H      3.05    0.02   2
 589    78     TYR    HD1    H      7.09    0.02   3
 590    78     TYR    HE1    H      6.78    0.02   3
 591    79     GLU    N      N    119.0     0.25   1
 592    79     GLU    HN     H      8.38    0.02   1
 593    79     GLU    CA     C     59.4     0.20   1
 594    79     GLU    HA     H      3.76    0.02   1
 595    79     GLU    CB     C     29.4     0.20   1
 596    79     GLU    HB2    H      2.08    0.02   2
 597    79     GLU    HB3    H      2.08    0.02   2
 598    79     GLU    HG2    H      2.45    0.02   2
 599    79     GLU    HG3    H      2.45    0.02   2
 600    80     SER    N      N    115.0     0.25   1
 601    80     SER    HN     H      7.91    0.02   1
 602    80     SER    CA     C     61.7     0.20   1
 603    80     SER    HA     H      4.19    0.02   1
 604    80     SER    CB     C     63.2     0.20   1
 605    80     SER    HB2    H      3.95    0.02   2
 606    80     SER    HB3    H      3.95    0.02   2
 607    81     PHE    N      N    123.4     0.25   1
 608    81     PHE    HN     H      7.91    0.02   1
 609    81     PHE    CA     C     60.0     0.20   1
 610    81     PHE    HA     H      4.18    0.02   1
 611    81     PHE    CB     C     38.4     0.20   1
 612    81     PHE    HB2    H      3.22    0.02   2
 613    81     PHE    HB3    H      3.22    0.02   2
 614    81     PHE    HD1    H      7.21    0.02   3
 615    82     LYS    N      N    120.6     0.25   1
 616    82     LYS    HN     H      8.10    0.02   1
 617    82     LYS    CA     C     58.3     0.20   1
 618    82     LYS    HA     H      3.77    0.02   1
 619    82     LYS    CB     C     31.9     0.20   1
 620    82     LYS    HB2    H      1.64    0.02   2
 621    82     LYS    HB3    H      1.55    0.02   2
 622    82     LYS    HG2    H      1.21    0.02   2
 623    82     LYS    HG3    H      1.21    0.02   2
 624    83     LYS    N      N    119.8     0.25   1
 625    83     LYS    HN     H      7.78    0.02   1
 626    83     LYS    CA     C     58.4     0.20   1
 627    83     LYS    HA     H      4.09    0.02   1
 628    83     LYS    CB     C     32.5     0.20   1
 629    83     LYS    HB2    H      1.87    0.02   2
 630    83     LYS    HB3    H      1.87    0.02   2
 631    83     LYS    HG2    H      1.65    0.02   2
 632    83     LYS    HG3    H      1.54    0.02   2
 633    84     GLU    N      N    120.0     0.25   1
 634    84     GLU    HN     H      7.88    0.02   1
 635    84     GLU    CA     C     58.4     0.20   1
 636    84     GLU    HA     H      4.09    0.02   1
 637    84     GLU    CB     C     29.8     0.20   1
 638    84     GLU    HB2    H      2.03    0.02   2
 639    84     GLU    HB3    H      2.03    0.02   2
 640    84     GLU    HG2    H      2.35    0.02   2
 641    84     GLU    HG3    H      2.23    0.02   2
 642    85     GLN    N      N    118.8     0.25   1
 643    85     GLN    HN     H      7.90    0.02   1
 644    85     GLN    CA     C     57.3     0.20   1
 645    85     GLN    HA     H      4.08    0.02   1
 646    85     GLN    CB     C     29.4     0.20   1
 647    85     GLN    HB2    H      2.03    0.02   2
 648    85     GLN    HB3    H      1.89    0.02   2
 649    85     GLN    HG2    H      2.13    0.02   2
 650    85     GLN    HG3    H      2.13    0.02   2
 651    86     GLU    N      N    120.5     0.25   1
 652    86     GLU    HN     H      7.98    0.02   1
 653    86     GLU    CA     C     57.6     0.20   1
 654    86     GLU    HA     H      4.17    0.02   1
 655    86     GLU    CB     C     30.1     0.20   1
 656    86     GLU    HB2    H      2.04    0.02   2
 657    86     GLU    HB3    H      2.04    0.02   2
 658    86     GLU    HG2    H      2.37    0.02   2
 659    86     GLU    HG3    H      2.25    0.02   2
 660    87     GLN    N      N    119.8     0.25   1
 661    87     GLN    HN     H      8.03    0.02   1
 662    87     GLN    CA     C     56.5     0.20   1
 663    87     GLN    HA     H      4.28    0.02   1
 664    87     GLN    CB     C     29.4     0.20   1
 665    87     GLN    HB2    H      2.14    0.02   2
 666    87     GLN    HB3    H      2.04    0.02   2
 667    87     GLN    HG2    H      2.41    0.02   2
 668    87     GLN    HG3    H      2.41    0.02   2
 669    88     GLN    N      N    121.1     0.25   1
 670    88     GLN    HN     H      8.20    0.02   1
 671    88     GLN    CA     C     56.2     0.20   1
 672    88     GLN    HA     H      4.38    0.02   1
 673    88     GLN    CB     C     29.4     0.20   1
 674    88     GLN    HB2    H      2.14    0.02   2
 675    88     GLN    HB3    H      2.04    0.02   2
 676    88     GLN    HG2    H      2.41    0.02   2
 677    88     GLN    HG3    H      2.41    0.02   2
 678    89     THR    N      N    115.6     0.25   1
 679    89     THR    HN     H      8.12    0.02   1
 680    89     THR    CA     C     62.3     0.20   1
 681    89     THR    HA     H      4.32    0.02   1
 682    89     THR    CB     C     70.0     0.20   1
 683    89     THR    HB     H      4.22    0.02   1
 684    89     THR    HG21   H      1.22    0.02   1
 685    90     GLU    N      N    123.6     0.25   1
 686    90     GLU    HN     H      8.38    0.02   1
 687    90     GLU    CA     C     56.8     0.20   1
 688    90     GLU    HA     H      4.32    0.02   1
 689    90     GLU    CB     C     30.6     0.20   1
 690    91     GLN    N      N    122.5     0.25   1
 691    91     GLN    HN     H      8.35    0.02   1
 692    91     GLN    CA     C     55.9     0.20   1
 693    91     GLN    CB     C     29.8     0.20   1
 694    92     ALA    N      N    132.2     0.25   1
 695    92     ALA    HN     H      8.01    0.02   1
 696    92     ALA    CA     C     54.0     0.20   1
 697    92     ALA    CB     C     20.3     0.20   1
 stop_


 loop_
 _Atom_shift_assign_ID_ambiguity   

 #
 #    Sets of Atom-shift Assignment Ambiguities
 #              
 #    ------------------------------------------
 # Example:    5,4,7
 #
 stop_


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