============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 4 1.040 63.455 85.861 130.719 -99.200 -91.000 TRP6 4 1.020 61.371 85.983 129.610 -99.200 -91.000 TYR 87 0.840 70.648 62.347 110.927 -99.200 -91.000 TYR 88 0.840 68.630 60.424 106.975 -99.200 -91.000 PHE 97 1.000 74.653 62.842 98.445 -99.200 -91.000 PHE 103 1.000 70.657 78.082 84.807 -99.200 -91.000 TRP 114 1.040 79.973 68.677 99.673 -99.200 -91.000 TRP6 114 1.020 80.955 68.600 101.811 -99.200 -91.000 TYR 136 0.840 61.830 57.476 84.400 -99.200 -91.000 TYR 147 0.840 72.685 52.731 96.458 -99.200 -91.000 PHE 151 1.000 68.884 62.503 101.465 -99.200 -91.000 HIS 159 0.900 60.323 83.778 96.342 -99.200 -91.000 HIS 162 0.900 53.944 80.129 86.445 -99.200 -91.000 TRP 187 1.040 62.518 67.137 104.118 -99.200 -91.000 TRP6 187 1.020 64.261 65.732 104.899 -99.200 -91.000 PHE 205 1.000 61.291 77.246 96.338 -99.200 -91.000 HIS 206 0.900 52.758 73.594 101.406 -99.200 -91.000 PHE 241 1.000 67.763 66.183 109.519 -99.200 -91.000 PHE 254 1.000 63.318 73.210 115.182 -99.200 -91.000 PHE 259 1.000 64.590 78.379 116.057 -99.200 -91.000