============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 3 1.040 -12.446 -1.458 34.361 -99.200 -91.000 TRP6 3 1.020 -10.560 -1.505 32.921 -99.200 -91.000 PHE 15 1.000 -2.402 6.074 34.962 -99.200 -91.000 HIS 17 0.900 4.084 2.745 42.620 -99.200 -91.000 TYR 20 0.840 0.795 11.658 36.321 -99.200 -91.000 TYR 35 0.840 2.886 6.546 15.284 -99.200 -91.000 TRP 37 1.040 -0.353 11.181 11.451 -99.200 -91.000 TRP6 37 1.020 1.235 9.537 10.849 -99.200 -91.000 HIS 41 0.900 -4.478 18.434 15.801 -99.200 -91.000 PHE 42 1.000 0.313 19.368 19.777 -99.200 -91.000 PHE 45 1.000 2.191 23.273 21.772 -99.200 -91.000 TYR 49 0.840 14.768 22.641 13.125 -99.200 -91.000 HIS 63 0.900 -1.233 19.563 24.752 -99.200 -91.000 HIS 69 0.900 -0.870 15.022 36.056 -99.200 -91.000 TYR 85 0.840 -11.373 10.343 29.921 -99.200 -91.000 HIS 92 0.900 -9.017 16.494 22.959 -99.200 -91.000 HIS 97 0.900 -12.458 21.620 14.118 -99.200 -91.000 PHE 103 1.000 -8.351 11.630 20.716 -99.200 -91.000 HIS 120 0.900 12.300 -8.833 34.352 -99.200 -91.000 PHE 122 1.000 4.333 -1.902 30.051 -99.200 -91.000 PHE 130 1.000 -0.443 2.487 30.468 -99.200 -91.000 PHE 133 1.000 -6.943 4.055 32.350 -99.200 -91.000 TYR 145 0.840 -13.603 13.298 17.462 -99.200 -91.000 HIS 146 0.900 -21.486 15.132 17.320 -99.200 -91.000