============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 3 1.040 10.657 -27.346 64.294 -99.200 -91.000 TRP6 3 1.020 10.893 -25.135 63.512 -99.200 -91.000 PHE 7 1.000 7.393 -24.627 49.848 -99.200 -91.000 TYR 16 0.840 5.369 -27.665 42.620 -99.200 -91.000 TRP 21 1.040 10.573 -23.666 42.246 -99.200 -91.000 TRP6 21 1.020 12.231 -23.245 43.869 -99.200 -91.000 TRP 37 1.040 4.902 -17.644 44.914 -99.200 -91.000 TRP6 37 1.020 5.806 -15.836 46.146 -99.200 -91.000 TYR 42 0.840 2.198 -20.921 56.737 -99.200 -91.000 PHE 45 1.000 6.230 -16.815 59.243 -99.200 -91.000 PHE 51 1.000 21.207 -20.393 52.612 -99.200 -91.000 TYR 64 0.840 5.588 -10.760 57.876 -99.200 -91.000 TRP 71 1.040 7.815 -11.696 43.578 -99.200 -91.000 TRP6 71 1.020 9.827 -11.088 44.603 -99.200 -91.000 HIS 84 0.900 32.066 -16.839 51.001 -99.200 -91.000 TRP 88 1.040 25.479 -11.860 43.970 -99.200 -91.000 TRP6 88 1.020 24.047 -10.223 43.049 -99.200 -91.000 TYR 94 0.840 19.943 -2.094 49.651 -99.200 -91.000 TYR 101 0.840 17.102 -5.834 47.096 -99.200 -91.000 HIS 103 0.900 13.007 -2.070 52.511 -99.200 -91.000 TRP 118 1.040 23.616 -29.247 52.011 -99.200 -91.000 TRP6 118 1.020 21.557 -28.482 51.151 -99.200 -91.000 HIS 120 0.900 19.359 -23.889 60.650 -99.200 -91.000 HIS 128 0.900 9.237 -6.302 66.999 -99.200 -91.000 TRP 143 1.040 13.172 0.172 57.400 -99.200 -91.000 TRP6 143 1.020 14.132 -0.829 59.312 -99.200 -91.000 TRP 158 1.040 12.785 -2.196 43.062 -99.200 -91.000 TRP6 158 1.020 15.000 -1.551 42.567 -99.200 -91.000 PHE 163 1.000 9.792 -3.297 53.843 -99.200 -91.000 PHE 171 1.000 -0.874 -16.104 49.643 -99.200 -91.000 HIS 178 0.900 19.286 -12.758 40.083 -99.200 -91.000 TRP 184 1.040 20.770 -27.538 44.252 -99.200 -91.000 TRP6 184 1.020 22.646 -26.264 43.615 -99.200 -91.000 PHE 185 1.000 15.880 -22.660 49.092 -99.200 -91.000