============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 14 1.040 -7.701 31.051 46.362 -99.200 -91.000 TRP6 14 1.020 -7.612 28.769 46.953 -99.200 -91.000 HIS 20 0.900 -17.465 26.704 50.572 -99.200 -91.000 TYR 24 0.840 -13.638 23.737 48.566 -99.200 -91.000 PHE 33 1.000 -1.361 14.078 55.366 -99.200 -91.000 PHE 36 1.000 -0.137 10.704 45.433 -99.200 -91.000 TYR 42 0.840 8.349 14.963 54.384 -99.200 -91.000 PHE 43 1.000 2.153 17.042 57.742 -99.200 -91.000 HIS 45 0.900 4.042 17.028 63.757 -99.200 -91.000 PHE 46 1.000 -0.234 17.895 61.905 -99.200 -91.000 HIS 50 0.900 -13.312 12.410 57.065 -99.200 -91.000 HIS 58 0.900 -0.101 21.983 57.216 -99.200 -91.000 HIS 72 0.900 0.396 39.851 48.137 -99.200 -91.000 HIS 87 0.900 7.092 24.755 53.508 -99.200 -91.000 HIS 89 0.900 16.204 28.782 55.401 -99.200 -91.000 PHE 98 1.000 7.205 21.592 48.498 -99.200 -91.000 HIS 103 0.900 -3.179 14.123 41.282 -99.200 -91.000 HIS 112 0.900 -15.466 20.654 47.336 -99.200 -91.000 PHE 117 1.000 -10.124 21.180 37.447 -99.200 -91.000 HIS 122 0.900 -6.863 19.653 34.682 -99.200 -91.000 PHE 128 1.000 -1.489 30.068 42.120 -99.200 -91.000 TYR 140 0.840 13.360 22.551 50.088 -99.200 -91.000