============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 3 1.000 -34.063 -36.402 27.928 -99.200 -91.000 TYR 4 0.840 -31.439 -31.037 20.798 -99.200 -91.000 PHE 13 1.000 -36.093 -34.056 21.628 -99.200 -91.000 PHE 20 1.000 -48.540 -35.777 19.027 -99.200 -91.000 TYR 21 0.840 -49.132 -32.230 15.459 -99.200 -91.000 TYR 34 0.840 -53.344 -31.311 17.491 -99.200 -91.000 PHE 49 1.000 -42.667 -26.654 25.325 -99.200 -91.000 TYR 53 0.840 -39.417 -29.521 29.591 -99.200 -91.000 TRP 54 1.040 -37.370 -33.063 26.729 -99.200 -91.000 TRP6 54 1.020 -37.231 -33.947 28.913 -99.200 -91.000 TYR 60 0.840 -42.272 -22.536 21.837 -99.200 -91.000 HIS 66 0.900 -42.178 -17.270 29.631 -99.200 -91.000 HIS 73 0.900 -51.679 -26.661 24.864 -99.200 -91.000 PHE 76 1.000 -56.755 -24.986 20.164 -99.200 -91.000 PHE 86 1.000 -49.900 -34.594 23.590 -99.200 -91.000 HIS 91 0.900 -47.080 -43.354 26.597 -99.200 -91.000 HIS 106 0.900 -30.859 -40.140 28.848 -99.200 -91.000 TYR 113 0.840 -42.309 -32.412 29.889 -99.200 -91.000 HIS 119 0.900 -52.735 -37.359 33.566 -99.200 -91.000 PHE 126 1.000 -68.618 -29.255 27.798 -99.200 -91.000