============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 2 0.840 -8.502 34.699 70.230 -99.200 -91.000 TYR 5 0.840 -5.563 40.029 72.171 -99.200 -91.000 PHE 7 1.000 -0.622 40.666 76.424 -99.200 -91.000 PHE 9 1.000 6.676 41.630 84.337 -99.200 -91.000 TYR 11 0.840 13.676 35.603 78.616 -99.200 -91.000 PHE 24 1.000 17.111 31.587 89.496 -99.200 -91.000 HIS 31 0.900 23.641 28.773 99.685 -99.200 -91.000 TYR 33 0.840 25.038 24.391 94.363 -99.200 -91.000 PHE 52 1.000 17.781 29.147 93.751 -99.200 -91.000 PHE 67 1.000 19.543 26.611 97.466 -99.200 -91.000 TYR 71 0.840 15.501 34.969 92.379 -99.200 -91.000 TYR 78 0.840 21.765 43.799 93.064 -99.200 -91.000 PHE 85 1.000 10.836 41.569 75.601 -99.200 -91.000 HIS 94 0.900 -4.005 48.574 67.472 -99.200 -91.000 TYR 109 0.840 7.587 35.887 94.883 -99.200 -91.000 PHE 111 1.000 6.643 41.176 96.397 -99.200 -91.000 PHE 116 1.000 9.038 46.685 84.526 -99.200 -91.000 HIS 120 0.900 9.746 50.507 84.031 -99.200 -91.000 TRP 124 1.040 -2.360 50.984 80.199 -99.200 -91.000 TRP6 124 1.020 -0.674 50.922 78.546 -99.200 -91.000 PHE 125 1.000 -1.031 45.098 82.236 -99.200 -91.000 HIS 136 0.900 -1.333 22.857 93.522 -99.200 -91.000 HIS 137 0.900 3.345 28.768 92.264 -99.200 -91.000 TYR 160 0.840 -0.909 32.781 79.270 -99.200 -91.000 PHE 178 1.000 1.218 29.971 74.042 -99.200 -91.000 PHE 190 1.000 6.417 28.969 71.853 -99.200 -91.000 TYR 193 0.840 3.889 22.030 75.242 -99.200 -91.000 TYR 195 0.840 1.629 26.643 66.574 -99.200 -91.000