============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 30 0.840 101.492 -73.543-286.364 -99.200 -91.000 TYR 36 0.840 96.892 -77.034-288.827 -99.200 -91.000 TRP 39 1.040 83.724 -77.338-293.458 -99.200 -91.000 TRP6 39 1.020 81.855 -76.721-292.169 -99.200 -91.000 TYR 40 0.840 85.759 -84.903-290.525 -99.200 -91.000 TYR 53 0.840 93.130 -81.579-296.843 -99.200 -91.000 TRP 54 1.040 95.771 -77.811-293.397 -99.200 -91.000 TRP6 54 1.020 97.401 -78.683-294.860 -99.200 -91.000 PHE 66 1.000 79.811 -81.756-300.915 -99.200 -91.000 PHE 75 1.000 87.387 -71.360-290.068 -99.200 -91.000 TYR 90 0.840 76.744 -82.091-295.534 -99.200 -91.000 TYR 91 0.840 78.296 -84.244-287.065 -99.200 -91.000 TYR 95 0.840 92.936 -80.354-289.060 -99.200 -91.000 TYR 96 0.840 95.497 -73.378-283.246 -99.200 -91.000 PHE 102 1.000 84.643 -84.502-284.639 -99.200 -91.000 PHE 120 1.000 48.926 -98.428-297.156 -99.200 -91.000 PHE 122 1.000 50.157-102.788-291.978 -99.200 -91.000 PHE 143 1.000 54.822 -88.144-294.171 -99.200 -91.000 TYR 144 0.840 59.183 -82.096-297.740 -99.200 -91.000 TRP 152 1.040 47.388 -94.537-282.508 -99.200 -91.000 TRP6 152 1.020 47.117 -96.469-283.841 -99.200 -91.000 TYR 177 0.840 61.382 -86.272-294.041 -99.200 -91.000 TYR 190 0.840 42.508-106.249-280.343 -99.200 -91.000 HIS 193 0.900 37.519 -99.758-275.657 -99.200 -91.000 TYR 196 0.840 40.860-101.226-281.198 -99.200 -91.000 HIS 202 0.900 51.828 -83.833-294.098 -99.200 -91.000 PHE 213 1.000 42.012-102.923-286.083 -99.200 -91.000