============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 3 0.900 27.072 -13.480 1.362 -99.200 -91.000 PHE 6 1.000 17.109 -0.977 -3.744 -99.200 -91.000 PHE 28 1.000 21.507 -4.514 -4.808 -99.200 -91.000 TYR 42 0.840 21.446 -3.467 -17.774 -99.200 -91.000 PHE 62 1.000 18.811 3.653 -17.570 -99.200 -91.000 PHE 63 1.000 19.239 8.728 -17.616 -99.200 -91.000 PHE 75 1.000 15.517 6.430 -13.430 -99.200 -91.000 TYR 76 0.840 18.514 12.761 -18.925 -99.200 -91.000 PHE 79 1.000 22.761 10.116 -14.479 -99.200 -91.000 PHE 92 1.000 13.820 7.569 -8.668 -99.200 -91.000 TYR 94 0.840 10.408 6.378 -13.581 -99.200 -91.000 PHE 96 1.000 12.940 0.748 -14.557 -99.200 -91.000 TYR 98 0.840 11.640 1.893 -25.452 -99.200 -91.000 HIS 108 0.900 20.428 3.880 -3.034 -99.200 -91.000 TYR 118 0.840 27.118 10.614 -10.984 -99.200 -91.000 TRP 119 1.040 27.551 2.490 -7.877 -99.200 -91.000 TRP6 119 1.020 28.107 0.547 -9.088 -99.200 -91.000 PHE 121 1.000 23.396 0.527 -6.428 -99.200 -91.000