============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 3 0.840 33.367 23.117 16.030 -99.200 -91.000 TRP 21 1.040 20.557 5.938 22.477 -99.200 -91.000 TRP6 21 1.020 20.849 4.493 20.627 -99.200 -91.000 PHE 40 1.000 22.307 -6.576 5.441 -99.200 -91.000 TYR 49 0.840 29.132 -1.639 -0.577 -99.200 -91.000 PHE 50 1.000 26.984 -4.269 5.625 -99.200 -91.000 HIS 68 0.900 27.852 -4.610 11.442 -99.200 -91.000 TYR 74 0.840 26.994 -1.094 23.400 -99.200 -91.000 PHE 79 1.000 28.262 8.543 15.831 -99.200 -91.000 PHE 96 1.000 32.419 4.583 15.570 -99.200 -91.000 HIS 100 0.900 30.987 3.141 8.176 -99.200 -91.000 PHE 110 1.000 27.255 6.641 7.672 -99.200 -91.000 PHE 126 1.000 10.307 7.486 20.142 -99.200 -91.000 TYR 130 0.840 10.525 12.129 18.456 -99.200 -91.000 TRP 134 1.040 17.361 9.293 15.704 -99.200 -91.000 TRP6 134 1.020 19.339 8.261 16.501 -99.200 -91.000