============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 12 0.840 0.357 20.279 3.020 -99.200 -91.000 HIS 22 0.900 0.435 24.891 -7.360 -99.200 -91.000 TRP 33 1.040 -2.590 29.824 8.659 -99.200 -91.000 TRP6 33 1.020 -2.471 28.778 6.544 -99.200 -91.000 PHE 39 1.000 5.049 26.662 14.394 -99.200 -91.000 TYR 41 0.840 7.031 31.822 13.189 -99.200 -91.000 TYR 45 0.840 -1.317 34.987 12.636 -99.200 -91.000 PHE 55 1.000 2.580 29.618 4.783 -99.200 -91.000 TRP 62 1.040 12.058 28.569 11.396 -99.200 -91.000 TRP6 62 1.020 12.462 27.021 13.111 -99.200 -91.000 TYR 65 0.840 9.001 25.050 9.324 -99.200 -91.000 TYR 71 0.840 -1.880 15.183 1.144 -99.200 -91.000 HIS 72 0.900 -6.232 10.686 7.185 -99.200 -91.000 TYR 85 0.840 5.181 21.817 10.665 -99.200 -91.000 TYR 89 0.840 15.190 30.047 15.593 -99.200 -91.000 PHE 96 1.000 11.495 21.847 13.417 -99.200 -91.000 PHE 100 1.000 2.461 18.725 8.992 -99.200 -91.000 HIS 102 0.900 -0.322 21.679 8.485 -99.200 -91.000 TRP 104 1.040 -5.140 21.989 4.850 -99.200 -91.000 TRP6 104 1.020 -4.177 24.007 4.108 -99.200 -91.000 PHE 114 1.000 -3.025 25.552 8.407 -99.200 -91.000 TYR 117 0.840 -5.361 20.597 16.050 -99.200 -91.000 HIS 121 0.900 9.822 20.181 24.791 -99.200 -91.000