============================================================================= 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. TRP 10 1.040 -10.541 36.295 22.852 -99.200 -91.000 TRP6 10 1.020 -8.417 35.489 22.243 -99.200 -91.000 PHE 30 1.000 1.611 32.449 14.425 -99.200 -91.000 PHE 31 1.000 -1.039 36.796 11.746 -99.200 -91.000 HIS 32 0.900 -8.913 30.520 11.070 -99.200 -91.000 HIS 38 0.900 -7.410 28.965 19.873 -99.200 -91.000 TYR 47 0.840 -2.963 26.089 18.584 -99.200 -91.000 TYR 71 0.840 -4.103 28.491 31.283 -99.200 -91.000 HIS 76 0.900 -5.535 36.452 39.395 -99.200 -91.000 TYR 98 0.840 -4.440 45.952 23.869 -99.200 -91.000 TYR 104 0.840 4.724 37.466 16.327 -99.200 -91.000 PHE 108 1.000 2.358 37.010 27.549 -99.200 -91.000 HIS 109 0.900 5.540 33.509 23.722 -99.200 -91.000 TYR 114 0.840 6.405 31.774 38.058 -99.200 -91.000 HIS 118 0.900 4.282 29.460 42.120 -99.200 -91.000 TRP 119 1.040 -2.110 24.368 39.107 -99.200 -91.000 TRP6 119 1.020 -2.280 22.264 38.047 -99.200 -91.000 TRP 121 1.040 7.587 24.166 43.908 -99.200 -91.000 TRP6 121 1.020 9.526 22.930 43.343 -99.200 -91.000 TYR 131 0.840 10.408 18.411 30.085 -99.200 -91.000 PHE 140 1.000 10.307 30.474 25.151 -99.200 -91.000 HIS 145 0.900 13.054 26.572 41.879 -99.200 -91.000 HIS 158 0.900 14.546 44.200 24.098 -99.200 -91.000 HIS 193 0.900 17.128 32.526 45.240 -99.200 -91.000 HIS 233 0.900 7.841 55.033 46.961 -99.200 -91.000 HIS 259 0.900 17.120 58.998 31.077 -99.200 -91.000 PHE 260 1.000 22.713 54.230 36.314 -99.200 -91.000