============================================================================= 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. TYR 4 0.840 55.410 16.739 28.412 -99.200 -91.000 TYR 8 0.840 56.400 13.538 23.694 -99.200 -91.000 HIS 9 0.900 55.976 16.914 19.713 -99.200 -91.000 TYR 18 0.840 68.280 3.245 21.996 -99.200 -91.000 PHE 33 1.000 73.096 6.728 23.717 -99.200 -91.000 PHE 40 1.000 76.863 0.401 34.356 -99.200 -91.000 PHE 57 1.000 77.518 4.649 20.757 -99.200 -91.000 PHE 64 1.000 71.145 -5.412 18.647 -99.200 -91.000 HIS 65 0.900 73.665 -9.421 11.354 -99.200 -91.000 PHE 96 1.000 69.098 -9.924 21.618 -99.200 -91.000 PHE 98 1.000 67.318 -5.502 23.876 -99.200 -91.000 PHE 101 1.000 62.577 1.561 32.839 -99.200 -91.000 PHE 102 1.000 66.998 5.425 26.308 -99.200 -91.000 TRP 111 1.040 65.643 18.043 26.058 -99.200 -91.000 TRP6 111 1.020 65.454 17.721 28.416 -99.200 -91.000 TYR 118 0.840 70.804 -4.022 28.741 -99.200 -91.000 HIS 119 0.900 64.023 -7.770 32.119 -99.200 -91.000 HIS 121 0.900 60.539 -7.487 28.349 -99.200 -91.000