============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 20 0.840 22.028 17.024 43.193 -99.200 -91.000 HIS 41 0.900 17.012 21.320 34.740 -99.200 -91.000 HIS 47 0.900 28.106 15.833 25.711 -99.200 -91.000 PHE 56 1.000 24.978 11.939 16.089 -99.200 -91.000 PHE 60 1.000 29.284 17.625 16.351 -99.200 -91.000 TRP 61 1.040 23.018 16.848 23.542 -99.200 -91.000 TRP6 61 1.020 20.981 17.434 22.488 -99.200 -91.000 TYR 64 0.840 16.489 15.192 16.244 -99.200 -91.000 TYR 69 0.840 13.103 11.333 36.238 -99.200 -91.000 HIS 94 0.900 20.679 20.678 29.889 -99.200 -91.000 TYR 95 0.840 18.714 14.244 25.447 -99.200 -91.000 PHE 109 1.000 10.166 10.650 45.820 -99.200 -91.000 TYR 114 0.840 17.094 10.092 46.744 -99.200 -91.000 PHE 118 1.000 19.910 9.545 33.319 -99.200 -91.000 TYR 119 0.840 14.243 2.540 32.917 -99.200 -91.000 PHE 128 1.000 19.378 11.911 13.609 -99.200 -91.000 HIS 131 0.900 23.582 9.984 4.327 -99.200 -91.000 TRP 141 1.040 20.548 5.173 15.365 -99.200 -91.000 TRP6 141 1.020 21.944 6.644 16.590 -99.200 -91.000 PHE 142 1.000 21.068 3.900 21.554 -99.200 -91.000 PHE 145 1.000 21.554 2.833 26.450 -99.200 -91.000 TYR 149 0.840 24.191 7.395 35.895 -99.200 -91.000 PHE 151 1.000 21.595 11.025 43.353 -99.200 -91.000 TYR 153 0.840 18.403 15.963 47.224 -99.200 -91.000