============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 9 0.840 35.288 54.244 -3.528 -99.200 -91.000 TRP 16 1.040 44.035 54.492 11.018 -99.200 -91.000 TRP6 16 1.020 44.098 52.307 10.133 -99.200 -91.000 PHE 19 1.000 39.928 44.098 16.781 -99.200 -91.000 PHE 23 1.000 36.668 39.397 21.811 -99.200 -91.000 TRP 30 1.040 38.179 48.192 14.079 -99.200 -91.000 TRP6 30 1.020 36.708 46.493 13.394 -99.200 -91.000 HIS 34 0.900 30.881 43.995 2.195 -99.200 -91.000 TRP 41 1.040 34.060 39.161 9.582 -99.200 -91.000 TRP6 41 1.020 35.729 40.039 10.996 -99.200 -91.000 PHE 45 1.000 41.949 44.027 11.430 -99.200 -91.000 PHE 53 1.000 44.348 41.110 15.608 -99.200 -91.000 HIS 56 0.900 42.425 34.707 16.034 -99.200 -91.000 HIS 58 0.900 41.152 33.144 10.981 -99.200 -91.000 TYR 64 0.840 48.231 37.283 5.975 -99.200 -91.000 PHE 65 1.000 48.433 44.105 -0.315 -99.200 -91.000 TYR 88 0.840 47.070 35.826 -0.497 -99.200 -91.000 TYR 90 0.840 43.154 29.925 1.645 -99.200 -91.000 HIS 97 0.900 45.301 32.781 12.521 -99.200 -91.000 PHE 102 1.000 50.132 42.307 13.727 -99.200 -91.000 PHE 108 1.000 45.988 42.244 9.770 -99.200 -91.000 TYR 109 0.840 41.549 44.488 1.996 -99.200 -91.000 PHE 111 1.000 39.083 38.726 9.329 -99.200 -91.000 PHE 117 1.000 38.873 36.670 19.060 -99.200 -91.000 TRP 130 1.040 27.099 38.777 9.731 -99.200 -91.000 TRP6 130 1.020 25.544 40.551 9.704 -99.200 -91.000 TRP 137 1.040 32.983 50.986 11.365 -99.200 -91.000 TRP6 137 1.020 35.183 51.768 11.589 -99.200 -91.000