============================================================================= 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. HIS 13 0.900 79.179 11.667 34.011 -99.200 -91.000 TRP 16 1.040 75.373 19.790 40.965 -99.200 -91.000 TRP6 16 1.020 73.880 20.951 42.379 -99.200 -91.000 HIS 36 0.900 74.225 3.773 15.615 -99.200 -91.000 TRP 52 1.040 80.272 27.629 35.155 -99.200 -91.000 TRP6 52 1.020 79.216 29.446 34.091 -99.200 -91.000 TYR 67 0.840 88.120 12.481 22.607 -99.200 -91.000 HIS 83 0.900 72.695 28.752 40.288 -99.200 -91.000 PHE 84 1.000 66.011 25.650 34.711 -99.200 -91.000 TYR 86 0.840 69.673 35.116 34.848 -99.200 -91.000 HIS 93 0.900 73.265 31.348 23.796 -99.200 -91.000 TYR 121 0.840 57.875 10.104 30.638 -99.200 -91.000 HIS 129 0.900 63.379 7.096 23.584 -99.200 -91.000 HIS 131 0.900 64.348 11.976 25.830 -99.200 -91.000 TRP 135 1.040 70.616 13.026 23.751 -99.200 -91.000 TRP6 135 1.020 70.606 13.179 26.116 -99.200 -91.000