============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TRP 3 1.040 27.402 63.216 2.531 -99.200 -91.000 TRP6 3 1.020 27.804 65.200 1.312 -99.200 -91.000 HIS 20 0.900 32.825 74.122 -9.283 -99.200 -91.000 PHE 22 1.000 24.343 73.387 -10.281 -99.200 -91.000 TYR 28 0.840 14.803 76.196 -3.199 -99.200 -91.000 PHE 34 1.000 20.194 66.969 -11.081 -99.200 -91.000 TYR 35 0.840 15.128 67.587 -16.042 -99.200 -91.000 PHE 42 1.000 21.412 53.451 -11.362 -99.200 -91.000 TYR 45 0.840 24.928 66.372 -13.900 -99.200 -91.000 TYR 47 0.840 30.304 63.254 -7.208 -99.200 -91.000 PHE 48 1.000 24.034 62.921 -7.428 -99.200 -91.000 PHE 56 1.000 1.928 61.310 -2.506 -99.200 -91.000 PHE 64 1.000 34.476 59.361 -6.252 -99.200 -91.000