============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 37.621 35.873 100.246 -99.200 -91.000 TYR 18 0.840 30.606 44.749 85.431 -99.200 -91.000 TYR 24 0.840 27.479 54.877 90.552 -99.200 -91.000 TYR 25 0.840 32.106 54.048 82.946 -99.200 -91.000 HIS 31 0.900 38.234 47.480 92.327 -99.200 -91.000 PHE 67 1.000 35.756 38.175 95.572 -99.200 -91.000 TYR 88 0.840 32.761 41.165 113.016 -99.200 -91.000 PHE 104 1.000 32.770 43.028 96.988 -99.200 -91.000 PHE 114 1.000 20.313 49.565 104.164 -99.200 -91.000 TRP 126 1.040 18.527 35.816 114.129 -99.200 -91.000 TRP6 126 1.020 20.361 37.316 114.034 -99.200 -91.000 TRP 138 1.040 20.595 45.697 99.021 -99.200 -91.000 TRP6 138 1.020 20.068 44.189 100.782 -99.200 -91.000 TYR 139 0.840 13.499 42.563 98.116 -99.200 -91.000 PHE 153 1.000 22.064 40.395 107.230 -99.200 -91.000 TRP 158 1.040 26.644 29.140 103.785 -99.200 -91.000 TRP6 158 1.020 27.232 31.357 103.216 -99.200 -91.000 TYR 161 0.840 24.140 33.503 98.478 -99.200 -91.000