============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 3 0.900 66.227 76.713 148.859 -99.200 -91.000 TYR 4 0.840 66.420 80.936 141.945 -99.200 -91.000 PHE 10 1.000 75.736 73.263 150.962 -99.200 -91.000 HIS 24 0.900 77.527 82.978 154.201 -99.200 -91.000 TYR 25 0.840 77.453 80.842 150.083 -99.200 -91.000 TYR 47 0.840 76.706 59.161 146.112 -99.200 -91.000 TYR 97 0.840 77.743 65.358 136.444 -99.200 -91.000 HIS 118 0.900 78.596 38.737 123.036 -99.200 -91.000 HIS 123 0.900 68.126 32.236 133.153 -99.200 -91.000 TYR 124 0.840 62.977 36.531 130.235 -99.200 -91.000 TYR 129 0.840 78.337 35.908 129.812 -99.200 -91.000 TYR 131 0.840 80.144 33.370 135.833 -99.200 -91.000 HIS 133 0.900 82.660 36.257 138.776 -99.200 -91.000 HIS 134 0.900 83.122 29.645 134.425 -99.200 -91.000 PHE 135 1.000 87.579 33.111 130.524 -99.200 -91.000 TRP 139 1.040 89.234 41.599 131.397 -99.200 -91.000 TRP6 139 1.020 90.660 40.991 129.607 -99.200 -91.000 TYR 144 0.840 81.739 42.311 128.575 -99.200 -91.000 TYR 154 0.840 80.127 56.297 126.136 -99.200 -91.000 TYR 155 0.840 86.614 56.200 134.506 -99.200 -91.000 TYR 163 0.840 88.348 53.223 145.587 -99.200 -91.000 TYR 171 0.840 89.434 53.205 131.111 -99.200 -91.000 TYR 172 0.840 94.395 54.895 131.089 -99.200 -91.000 TRP 177 1.040 95.660 42.537 131.070 -99.200 -91.000 TRP6 177 1.020 94.236 42.349 132.945 -99.200 -91.000