============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TYR 3 0.840 48.243 37.726 26.443 -99.200 -91.000 PHE 4 1.000 55.549 37.418 34.541 -99.200 -91.000 HIS 8 0.900 63.900 30.566 33.952 -99.200 -91.000 PHE 35 1.000 57.656 34.492 19.635 -99.200 -91.000 PHE 40 1.000 57.532 27.694 25.319 -99.200 -91.000 PHE 49 1.000 77.565 28.705 25.122 -99.200 -91.000 TYR 55 0.840 86.236 20.198 28.973 -99.200 -91.000 TYR 66 0.840 80.355 17.452 28.313 -99.200 -91.000 HIS 68 0.900 72.442 18.459 29.063 -99.200 -91.000 TYR 118 0.840 58.362 29.671 37.662 -99.200 -91.000