============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 25 1.000 142.137 -3.491 63.857 -99.200 -91.000 HIS 28 0.900 137.868 0.218 56.463 -99.200 -91.000 PHE 35 1.000 130.395 11.452 51.526 -99.200 -91.000 TYR 40 0.840 126.286 26.653 42.186 -99.200 -91.000 TYR 58 0.840 115.958 12.427 53.601 -99.200 -91.000 TYR 66 0.840 113.610 22.656 47.962 -99.200 -91.000 TYR 92 0.840 114.383 12.514 74.394 -99.200 -91.000 TYR 95 0.840 119.485 9.775 61.521 -99.200 -91.000 HIS 109 0.900 124.696 31.535 53.653 -99.200 -91.000 PHE 111 1.000 123.508 27.609 57.931 -99.200 -91.000 TYR 124 0.840 137.041 30.213 62.415 -99.200 -91.000 PHE 133 1.000 144.361 18.303 69.032 -99.200 -91.000 TYR 135 0.840 136.315 25.263 66.256 -99.200 -91.000 TYR 142 0.840 138.600 32.993 58.582 -99.200 -91.000 TYR 184 0.840 131.837 19.634 46.279 -99.200 -91.000