============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 5 0.900 26.995 13.704 23.878 -99.200 -91.000 TYR 10 0.840 22.705 4.057 20.288 -99.200 -91.000 TRP 12 1.040 21.648 -0.598 29.223 -99.200 -91.000 TRP6 12 1.020 23.876 -0.312 28.493 -99.200 -91.000 PHE 15 1.000 13.219 4.925 40.205 -99.200 -91.000 PHE 23 1.000 21.289 2.134 40.602 -99.200 -91.000 PHE 26 1.000 26.547 6.705 30.310 -99.200 -91.000 TRP 28 1.040 32.401 5.548 20.641 -99.200 -91.000 TRP6 28 1.020 34.759 5.585 20.814 -99.200 -91.000 HIS 45 0.900 13.674 -3.318 22.009 -99.200 -91.000 TRP 47 1.040 21.153 -9.235 26.262 -99.200 -91.000 TRP6 47 1.020 23.494 -9.394 25.946 -99.200 -91.000 HIS 49 0.900 18.813 -0.261 19.828 -99.200 -91.000 TRP 58 1.040 38.264 -3.449 24.361 -99.200 -91.000 TRP6 58 1.020 39.717 -4.400 25.961 -99.200 -91.000 HIS 66 0.900 29.164 2.775 38.851 -99.200 -91.000 TYR 78 0.840 32.818 -15.620 21.381 -99.200 -91.000 PHE 91 1.000 37.421 -4.585 39.052 -99.200 -91.000 TYR 94 0.840 40.795 -12.800 33.401 -99.200 -91.000 TRP 98 1.040 44.472 -5.650 35.667 -99.200 -91.000 TRP6 98 1.020 42.505 -5.566 36.957 -99.200 -91.000 TYR 140 0.840 22.559 11.839 44.405 -99.200 -91.000 TRP 180 1.040 18.348 13.744 36.726 -99.200 -91.000 TRP6 180 1.020 16.802 13.235 35.040 -99.200 -91.000 PHE 183 1.000 22.450 14.297 27.514 -99.200 -91.000