============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 14 1.000 -13.487 33.140 81.728 -99.200 -91.000 PHE 18 1.000 -15.104 25.703 79.543 -99.200 -91.000 PHE 38 1.000 -15.952 48.931 88.091 -99.200 -91.000 TYR 48 0.840 -16.954 36.076 78.189 -99.200 -91.000 PHE 72 1.000 -17.711 27.513 75.612 -99.200 -91.000 TYR 74 0.840 -12.594 23.609 75.929 -99.200 -91.000 HIS 82 0.900 -14.723 34.761 73.511 -99.200 -91.000 PHE 84 1.000 -14.640 40.058 79.580 -99.200 -91.000 PHE 90 1.000 -7.392 59.567 88.584 -99.200 -91.000 TRP 100 1.040 -18.770 55.952 82.195 -99.200 -91.000 TRP6 100 1.020 -16.472 55.580 82.319 -99.200 -91.000 PHE 117 1.000 -12.949 30.276 76.626 -99.200 -91.000